Mock Version: 5.9
Mock Version: 5.9
Mock Version: 5.9
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target riscv64 --nodeps /builddir/build/SPECS/openbabel.spec'], chrootPath='/var/lib/mock/f42-build-3449946-45479/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x7fff85a5e0d0>timeout=864000uid=993gid=135user='mockbuild'unshare_net=TrueprintOutput=Falsenspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.toovjymy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'])
Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.toovjymy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '7895fdad0dc94c9f83f41a9d0a818d6b', '-D', '/var/lib/mock/f42-build-3449946-45479/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.toovjymy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target riscv64 --nodeps /builddir/build/SPECS/openbabel.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: riscv64
Building for target riscv64
sh: line 1: perl: command not found
setting SOURCE_DATE_EPOCH=1742515200
Wrote: /builddir/build/SRPMS/openbabel-3.1.1-33.fc42.src.rpm
Child return code was: 0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target riscv64 --nodeps /builddir/build/SPECS/openbabel.spec'], chrootPath='/var/lib/mock/f42-build-3449946-45479/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x7fff85a5e0d0>timeout=864000uid=993gid=135user='mockbuild'unshare_net=TrueprintOutput=Falsenspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.toovjymy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'])
Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.toovjymy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', 'ed9fa6ebc3e44924a5061e3320c118e6', '-D', '/var/lib/mock/f42-build-3449946-45479/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.toovjymy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target riscv64 --nodeps /builddir/build/SPECS/openbabel.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: riscv64
Building for target riscv64
setting SOURCE_DATE_EPOCH=1742515200
Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.P7iHu5
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ test -d /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/rm -rf /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/SPECPARTS
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.jsV37Z
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ rm -rf openbabel-openbabel-3-1-1
+ /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/openbabel-openbabel-3-1-1.tar.gz
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd openbabel-openbabel-3-1-1
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
+ echo 'Patch #0 (openbabel-perl.patch):'
Patch #0 (openbabel-perl.patch):
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .perl_path --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 367 (offset 31 lines).
+ echo 'Patch #1 (openbabel-plugindir.patch):'
Patch #1 (openbabel-plugindir.patch):
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .plugindir --fuzz=0
patching file CMakeLists.txt
patching file OpenBabel3Config.cmake.in
Patch #2 (openbabel-noswig-rubymethod.patch):
+ echo 'Patch #2 (openbabel-noswig-rubymethod.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .noswig_ruby --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 416 (offset 42 lines).
Patch #3 (openbabel-ruby19-vendorarch.patch):
+ echo 'Patch #3 (openbabel-ruby19-vendorarch.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .ruby_vendor --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 447 (offset 47 lines).
Patch #5 (openbabel-fix-libdir-in-pkgconfig.patch):
+ echo 'Patch #5 (openbabel-fix-libdir-in-pkgconfig.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .s390x --fuzz=0
patching file openbabel-3.pc.cmake
Patch #7 (openbabel-3.1.1-fix_bug2223.patch):
+ echo 'Patch #7 (openbabel-3.1.1-fix_bug2223.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file src/forcefields/forcefielduff.cpp
Patch #8 (openbabel-3.1.1-fix_bug2217.patch):
+ echo 'Patch #8 (openbabel-3.1.1-fix_bug2217.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file test/testdistgeom.py
Patch #9 (openbabel-3.1.1-bug2378.patch):
+ echo 'Patch #9 (openbabel-3.1.1-bug2378.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 102 (offset -4 lines).
Patch #10 (openbabel-3.1.1-bug2493.patch):
+ echo 'Patch #10 (openbabel-3.1.1-bug2493.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file src/config.h.cmake
+ echo 'Patch #11 (openbabel-disable-tests-riscv64.patch):'
Patch #11 (openbabel-disable-tests-riscv64.patch):
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .riscv64 --fuzz=0
patching file test/CMakeLists.txt
+ rm -rf src/formats/libinchi
+ dos2unix -k data/chemdrawcdx.h include/openbabel/tautomer.h include/openbabel/math/align.h src/math/align.cpp test/testsmartssym.py
dos2unix: converting file data/chemdrawcdx.h to Unix format...
dos2unix: converting file include/openbabel/tautomer.h to Unix format...
dos2unix: converting file include/openbabel/math/align.h to Unix format...
dos2unix: converting file src/math/align.cpp to Unix format...
dos2unix: converting file test/testsmartssym.py to Unix format...
+ convert src/GUI/babel.xpm -transparent white babel.png
WARNING: The convert command is deprecated in IMv7, use "magick" instead of "convert" or "magick convert"
+ pushd doc
~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc ~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
+ for man in *.1
++ basename obabel.1 .1
+ html=obabel.html
+ '[' -f obabel.html ']'
+ rm obabel.html
+ for man in *.1
++ basename obchiral.1 .1
+ html=obchiral.html
+ '[' -f obchiral.html ']'
+ rm obchiral.html
+ for man in *.1
++ basename obconformer.1 .1
+ html=obconformer.html
+ '[' -f obconformer.html ']'
+ rm obconformer.html
+ for man in *.1
++ basename obdistgen.1 .1
+ html=obdistgen.html
+ '[' -f obdistgen.html ']'
+ for man in *.1
++ basename obenergy.1 .1
+ html=obenergy.html
+ '[' -f obenergy.html ']'
+ rm obenergy.html
+ for man in *.1
++ basename obfit.1 .1
+ html=obfit.html
+ '[' -f obfit.html ']'
+ rm obfit.html
+ for man in *.1
++ basename obgen.1 .1
+ html=obgen.html
+ '[' -f obgen.html ']'
+ rm obgen.html
+ for man in *.1
++ basename obgrep.1 .1
+ html=obgrep.html
+ '[' -f obgrep.html ']'
+ rm obgrep.html
+ for man in *.1
++ basename obgui.1 .1
+ html=obgui.html
+ '[' -f obgui.html ']'
+ rm obgui.html
+ for man in *.1
++ basename obminimize.1 .1
+ html=obminimize.html
+ '[' -f obminimize.html ']'
+ rm obminimize.html
+ for man in *.1
++ basename obprobe.1 .1
+ html=obprobe.html
+ '[' -f obprobe.html ']'
+ rm obprobe.html
+ for man in *.1
++ basename obprop.1 .1
+ html=obprop.html
+ '[' -f obprop.html ']'
+ rm obprop.html
+ for man in *.1
++ basename obrms.1 .1
+ html=obrms.html
+ '[' -f obrms.html ']'
+ for man in *.1
++ basename obrotamer.1 .1
+ html=obrotamer.html
+ '[' -f obrotamer.html ']'
+ rm obrotamer.html
+ for man in *.1
++ basename obrotate.1 .1
+ html=obrotate.html
+ '[' -f obrotate.html ']'
+ rm obrotate.html
+ for man in *.1
++ basename obspectrophore.1 .1
+ html=obspectrophore.html
+ '[' -f obspectrophore.html ']'
+ rm obspectrophore.html
+ for man in *.1
++ basename obsym.1 .1
+ html=obsym.html
+ '[' -f obsym.html ']'
+ for man in *.1
++ basename obtautomer.1 .1
+ html=obtautomer.html
+ '[' -f obtautomer.html ']'
+ for man in *.1
++ basename obthermo.1 .1
+ html=obthermo.html
+ '[' -f obthermo.html ']'
+ for man in *.1
++ basename roundtrip.1 .1
+ html=roundtrip.html
+ '[' -f roundtrip.html ']'
+ popd
~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.LBSXgA
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ mkdir -p riscv64-redhat-linux-gnu
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ /usr/bin/cmake -S . -B redhat-linux-build -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_DO_STRIP:BOOL=OFF -DCMAKE_INSTALL_PREFIX:PATH=/usr -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -B riscv64-redhat-linux-gnu -Wno-dev -DCMAKE_SKIP_RPATH:BOOL=ON -DBUILD_GUI:BOOL=ON -DPYTHON_BINDINGS:BOOL=ON -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPERL_BINDINGS:BOOL=ON -DRUBY_BINDINGS:BOOL=ON -DWITH_MAEPARSER:BOOL=OFF -DWITH_COORDGEN:BOOL=OFF -DOB_PLUGIN_INSTALL_DIR:PATH=lib64/openbabel3 -DOPENBABEL_USE_SYSTEM_INCHI=true -DINCHI_INCLUDE_DIR:PATH=/usr/include/inchi -DINCHI_LIBRARY:FILEPATH=/usr/lib64/libinchi.so -DENABLE_VERSIONED_FORMATS=false -DRUN_SWIG=true -DENABLE_TESTS:BOOL=ON -DOPTIMIZE_NATIVE=OFF -DGLIBC_24_COMPATIBLE:BOOL=OFF
-- The C compiler identification is GNU 15.0.1
-- The CXX compiler identification is GNU 15.0.1
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/gcc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/g++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found LibXml2: /usr/lib64/libxml2.so (found version "2.12.9") 
-- Found ZLIB: /usr/lib64/libz.so (found version "1.3.1")  
-- Found wxWidgets: -pthread;;;-lwx_baseu-3.2;-lwx_gtk3u_core-3.2 (found version "3.2.6") 
-- Looking for conio.h
-- Looking for conio.h - not found
-- Looking for sys/time.h
-- Looking for sys/time.h - found
-- Looking for time.h
-- Looking for time.h - found
-- Looking for strings.h
-- Looking for strings.h - found
-- Looking for rpc/xdr.h
-- Looking for rpc/xdr.h - not found
-- Looking for regex.h
-- Looking for regex.h - found
-- Looking for C++ include sstream
-- Looking for C++ include sstream - found
-- Looking for rint
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-- Found PythonInterp: /usr/bin/python3 (found version "3.13.2") 
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-- Found SWIG: /usr/bin/swig (found suitable version "4.2.1", minimum required is "2.0")  
-- Found PythonLibs: /usr/lib64/libpython3.13.so (found version "3.13.2") 
-- Python bindings will be compiled
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-- Found Ruby: /usr/bin/ruby (found suitable version "3.3.5", minimum required is "1.8.0") 
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/usr/bin/cmake -S/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 -B/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/locale.cpp.o -MF CMakeFiles/openbabel.dir/locale.cpp.o.d -o CMakeFiles/openbabel.dir/locale.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/locale.cpp
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[  2%] Building CXX object src/CMakeFiles/openbabel.dir/chargemodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chargemodel.cpp.o -MF CMakeFiles/openbabel.dir/chargemodel.cpp.o.d -o CMakeFiles/openbabel.dir/chargemodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chargemodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chargemodel.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obfunctions.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obfunctions.cpp.o -MF CMakeFiles/openbabel.dir/obfunctions.cpp.o.d -o CMakeFiles/openbabel.dir/obfunctions.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obfunctions.cpp
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[  3%] Building CXX object src/CMakeFiles/openbabel.dir/format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/format.cpp.o -MF CMakeFiles/openbabel.dir/format.cpp.o.d -o CMakeFiles/openbabel.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/format.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/base.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/base.cpp.o -MF CMakeFiles/openbabel.dir/base.cpp.o.d -o CMakeFiles/openbabel.dir/base.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/base.cpp
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/kekulize.cpp.o -MF CMakeFiles/openbabel.dir/kekulize.cpp.o.d -o CMakeFiles/openbabel.dir/kekulize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp: In function ‘bool OpenBabel::NeedsDoubleBond(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp:94:15: warning: unused variable ‘nbr’ [-Wunused-variable]
   94 |       OBAtom *nbr = bond->GetNbrAtom(atom);
      |               ^~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/molchrg.cpp.o -MF CMakeFiles/openbabel.dir/molchrg.cpp.o.d -o CMakeFiles/openbabel.dir/molchrg.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/molchrg.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/matrix.cpp.o -MF CMakeFiles/openbabel.dir/matrix.cpp.o.d -o CMakeFiles/openbabel.dir/matrix.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/matrix.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data_utilities.cpp.o -MF CMakeFiles/openbabel.dir/data_utilities.cpp.o.d -o CMakeFiles/openbabel.dir/data_utilities.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/data_utilities.cpp
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[  3%] Building CXX object src/CMakeFiles/openbabel.dir/griddata.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/griddata.cpp.o -MF CMakeFiles/openbabel.dir/griddata.cpp.o.d -o CMakeFiles/openbabel.dir/griddata.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/elements.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/elements.cpp.o -MF CMakeFiles/openbabel.dir/elements.cpp.o.d -o CMakeFiles/openbabel.dir/elements.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/elements.cpp
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[  6%] Building CXX object src/CMakeFiles/openbabel.dir/op.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/op.cpp.o -MF CMakeFiles/openbabel.dir/op.cpp.o.d -o CMakeFiles/openbabel.dir/op.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/op.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/op.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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[  6%] Building CXX object src/CMakeFiles/openbabel.dir/grid.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/grid.cpp.o -MF CMakeFiles/openbabel.dir/grid.cpp.o.d -o CMakeFiles/openbabel.dir/grid.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/grid.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/grid.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bondtyper.cpp.o -MF CMakeFiles/openbabel.dir/bondtyper.cpp.o.d -o CMakeFiles/openbabel.dir/bondtyper.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/bondtyper.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bond.cpp.o -MF CMakeFiles/openbabel.dir/bond.cpp.o.d -o CMakeFiles/openbabel.dir/bond.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/bond.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/oberror.cpp.o -MF CMakeFiles/openbabel.dir/oberror.cpp.o.d -o CMakeFiles/openbabel.dir/oberror.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/oberror.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bitvec.cpp.o -MF CMakeFiles/openbabel.dir/bitvec.cpp.o.d -o CMakeFiles/openbabel.dir/bitvec.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/bitvec.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/rand.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rand.cpp.o -MF CMakeFiles/openbabel.dir/rand.cpp.o.d -o CMakeFiles/openbabel.dir/rand.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rand.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/fingerprint.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/fingerprint.cpp.o -MF CMakeFiles/openbabel.dir/fingerprint.cpp.o.d -o CMakeFiles/openbabel.dir/fingerprint.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/descriptor.cpp.o -MF CMakeFiles/openbabel.dir/descriptor.cpp.o.d -o CMakeFiles/openbabel.dir/descriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/plugin.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/plugin.cpp.o -MF CMakeFiles/openbabel.dir/plugin.cpp.o.d -o CMakeFiles/openbabel.dir/plugin.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/plugin.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/plugin.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obutil.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obutil.cpp.o -MF CMakeFiles/openbabel.dir/obutil.cpp.o.d -o CMakeFiles/openbabel.dir/obutil.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obutil.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/query.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/query.cpp.o -MF CMakeFiles/openbabel.dir/query.cpp.o.d -o CMakeFiles/openbabel.dir/query.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/bond.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/query.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/tokenst.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tokenst.cpp.o -MF CMakeFiles/openbabel.dir/tokenst.cpp.o.d -o CMakeFiles/openbabel.dir/tokenst.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tokenst.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/isomorphism.cpp.o -MF CMakeFiles/openbabel.dir/isomorphism.cpp.o.d -o CMakeFiles/openbabel.dir/isomorphism.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/isomorphism.cpp
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[  3%] Building CXX object src/CMakeFiles/openbabel.dir/data.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data.cpp.o -MF CMakeFiles/openbabel.dir/data.cpp.o.d -o CMakeFiles/openbabel.dir/data.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/data.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o -MF CMakeFiles/openbabel.dir/reactionfacade.cpp.o.d -o CMakeFiles/openbabel.dir/reactionfacade.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp: In member function ‘void OpenBabel::OBReactionFacadePrivate::FindComponents()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp:122:15: warning: unused variable ‘atm’ [-Wunused-variable]
  122 |       OBAtom* atm = &*atom;
      |               ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/residue.cpp.o -MF CMakeFiles/openbabel.dir/residue.cpp.o.d -o CMakeFiles/openbabel.dir/residue.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/residue.cpp
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[  0%] Building CXX object src/CMakeFiles/openbabel.dir/alias.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/alias.cpp.o -MF CMakeFiles/openbabel.dir/alias.cpp.o.d -o CMakeFiles/openbabel.dir/alias.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[  9%] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tautomer.cpp.o -MF CMakeFiles/openbabel.dir/tautomer.cpp.o.d -o CMakeFiles/openbabel.dir/tautomer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/tautomer.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::establish_pairs(SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:267:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  267 |         if( elem->transform[i] >= _mol->NumAtoms() ){ /* No symmetric atom yet          */
      |             ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::check_transform_order(SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:311:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  311 |         if( elem->transform[i] == i )   /* Identity transform is Ok for any order */
      |             ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:315:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  315 |           if( elem->transform[j] == i )
      |               ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::same_transform(SYMMETRY_ELEMENT*, SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:358:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  358 |           if( b->transform[j] != i )
      |               ~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘OpenBabel::OBPointGroup::Symbol OpenBabel::OBPointGroup::IdentifyPointGroupSymbol(double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1958:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1958 |           || d->NormalAxesCounts[2] >= maxAxis) { // Are there the perpendicular C2 axes?
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1961:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1961 |         if (d->PlanesCount >= maxAxis + 1) { // Likely Dnh
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1986:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1986 |         else if (d->PlanesCount == maxAxis) { // Likely Dnd
      |                  ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2088:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 2088 |     else if (d->PlanesCount >= maxAxis) { // Cnv
      |              ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘void OpenBabel::OBPointGroup::Symmetrize(OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2175:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2175 |     for (unsigned int i = 0; i < d->PlanesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2182:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2182 |     for (unsigned int i = 0; i < d->NormalAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2189:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2189 |     for (unsigned int i = 0; i < d->ImproperAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~~~
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In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o -MF CMakeFiles/openbabel.dir/math/transform3d.cpp.o.d -o CMakeFiles/openbabel.dir/math/transform3d.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/transform3d.cpp
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[  9%] Building CXX object src/CMakeFiles/openbabel.dir/rotamer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rotamer.cpp.o -MF CMakeFiles/openbabel.dir/rotamer.cpp.o.d -o CMakeFiles/openbabel.dir/rotamer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp: In member function ‘void OpenBabel::OBRotamerList::AddRotamer(std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:410:11: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  410 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:412:17: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  412 |                 while (angle > 360.0)
      |                 ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp: In member function ‘bool OpenBabel::OBRotamerList::SetCurrentCoordinates(OpenBabel::OBMol&, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:543:11: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  543 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:545:17: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  545 |                 while (angle > 360.0)
      |                 ^~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -MF CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o.d -o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp
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In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h: In constructor ‘OpenBabel::SVGPainter::SVGPainter(std::ostream&, std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >*, bool, double, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:77:11: warning: ‘OpenBabel::SVGPainter::m_fontPointSize’ will be initialized after [-Wreorder]
   77 |       int m_fontPointSize;
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:75:12: warning:   ‘bool OpenBabel::SVGPainter::m_isFillcolor’ [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:75:12: warning: ‘OpenBabel::SVGPainter::m_isFillcolor’ will be initialized after [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:74:32: warning:   ‘std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >* OpenBabel::SVGPainter::m_Gradients’ [-Wreorder]
   74 |       std::set<ColorGradient> *m_Gradients;
      |                                ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o -MF CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/tetraplanar.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rotor.cpp.o -MF CMakeFiles/openbabel.dir/rotor.cpp.o.d -o CMakeFiles/openbabel.dir/rotor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obconversion.cpp.o -MF CMakeFiles/openbabel.dir/obconversion.cpp.o.d -o CMakeFiles/openbabel.dir/obconversion.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp:48:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp:37:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o -MF CMakeFiles/openbabel.dir/obmolecformat.cpp.o.d -o CMakeFiles/openbabel.dir/obmolecformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o -MF CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/tetrahedral.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -MF CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/parsmart.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/parsmart.cpp.o -MF CMakeFiles/openbabel.dir/parsmart.cpp.o.d -o CMakeFiles/openbabel.dir/parsmart.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘int OpenBabel::CreateAtom(Pattern*, AtomExpr*, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:446:15: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
  446 |     int index,size;
      |               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘int OpenBabel::CreateBond(Pattern*, BondExpr*, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:478:15: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
  478 |     int index,size;
      |               ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o -MF CMakeFiles/openbabel.dir/stereo/facade.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/facade.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/facade.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o -MF CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/squareplanar.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[  3%] Building CXX object src/CMakeFiles/openbabel.dir/builder.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/builder.cpp.o -MF CMakeFiles/openbabel.dir/builder.cpp.o.d -o CMakeFiles/openbabel.dir/builder.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/builder.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o -MF CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/cistrans.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[  2%] Building CXX object src/CMakeFiles/openbabel.dir/canon.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/canon.cpp.o -MF CMakeFiles/openbabel.dir/canon.cpp.o.d -o CMakeFiles/openbabel.dir/canon.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/canon.cpp
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[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -MF CMakeFiles/openbabel.dir/math/spacegroup.cpp.o.d -o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/spacegroup.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/confsearch.cpp.o -MF CMakeFiles/openbabel.dir/confsearch.cpp.o.d -o CMakeFiles/openbabel.dir/confsearch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:30,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In constructor ‘OpenBabel::OBDiversePoses::OBDiversePoses(const OpenBabel::OBMol&, double, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:134:66: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  134 |     vec.erase(std::remove_if(vec.begin(), vec.end(), std::bind2nd(std::less<double>(), (cutoff + 0.1) )), vec.end());
      |                                                      ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In member function ‘bool OpenBabel::OBDiversePoses::AddPose(std::vector<OpenBabel::vector3>, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:189:14: warning: unused variable ‘min_rmsd’ [-Wunused-variable]
  189 |       double min_rmsd = DBL_MAX;
      |              ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In member function ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:444:77: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = plus<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  444 |     transform(_energies.begin(), _energies.end(), _energies.begin(), bind2nd(std::plus<double>(), energy_offset));
      |                                                                      ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/depict.cpp.o -MF CMakeFiles/openbabel.dir/depict/depict.cpp.o.d -o CMakeFiles/openbabel.dir/depict/depict.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In function ‘unsigned int OpenBabel::GetAtomSymClass(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:284:11: warning: unused variable ‘nclasses’ [-Wunused-variable]
  284 |       int nclasses = end_pos - copy_sym.begin();
      |           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘virtual void OpenBabel::OBDepictPrivate::DrawAtomLabel(const std::string&, int, const OpenBabel::vector3&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1024:21: warning: variable ‘metrics’ set but not used [-Wunused-but-set-variable]
 1024 |       OBFontMetrics metrics = painter->GetFontMetrics(str);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1029:21: warning: variable ‘metrics’ set but not used [-Wunused-but-set-variable]
 1029 |       OBFontMetrics metrics = painter->GetFontMetrics(subscript);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘void OpenBabel::OBDepictPrivateBallAndStick::DrawAromaticRingBond(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, const OpenBabel::vector3&, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1238:99: warning: expression does not compute the number of elements in this array; element type is ‘const float’, not ‘double’ [-Wsizeof-array-div]
 1238 |     static const vector<double> pat = vector<double>(dashpattern,dashpattern + sizeof(dashpattern)/sizeof(double));
      |                                                                                ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1238:100: note: add parentheses around ‘sizeof (double)’ to silence this warning
 1238 |     static const vector<double> pat = vector<double>(dashpattern,dashpattern + sizeof(dashpattern)/sizeof(double));
      |                                                                                                    ^~~~~~~~~~~~~~
      |                                                                                                    (             )
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1237:24: note: array ‘dashpattern’ declared here
 1237 |     static const float dashpattern[] = {5., 5.};
      |                        ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:462:22: warning: ‘min_x’ may be used uninitialized [-Wmaybe-uninitialized]
  462 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:435:14: note: ‘min_x’ was declared here
  435 |       double min_x, max_x;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:462:22: warning: ‘max_x’ may be used uninitialized [-Wmaybe-uninitialized]
  462 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:435:21: note: ‘max_x’ was declared here
  435 |       double min_x, max_x;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:463:22: warning: ‘min_y’ may be used uninitialized [-Wmaybe-uninitialized]
  463 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:436:14: note: ‘min_y’ was declared here
  436 |       double min_y, max_y;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:463:22: warning: ‘max_y’ may be used uninitialized [-Wmaybe-uninitialized]
  463 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:436:21: note: ‘max_y’ was declared here
  436 |       double min_y, max_y;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:465:25: warning: ‘min_z’ may be used uninitialized [-Wmaybe-uninitialized]
  465 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:437:14: note: ‘min_z’ was declared here
  437 |       double min_z, max_z;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:465:25: warning: ‘max_z’ may be used uninitialized [-Wmaybe-uninitialized]
  465 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:437:21: note: ‘max_z’ was declared here
  437 |       double min_z, max_z;
      |                     ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/forcefield.cpp.o -MF CMakeFiles/openbabel.dir/forcefield.cpp.o.d -o CMakeFiles/openbabel.dir/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/set:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:391:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  391 |     if (_ignoreAtom == a)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:393:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  393 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:403:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  403 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:413:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  413 |     if (_ignoreAtom == d)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintType(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:665:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  665 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘double OpenBabel::OBFFConstraints::GetConstraintValue(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:673:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  673 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomA(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:681:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  681 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomB(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:689:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  689 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomC(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:697:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  697 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomD(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:705:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  705 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::FastRotorSearch(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1353:34: warning: array subscript has type ‘char’ [-Wchar-subscripts]
 1353 |     num_permutations = factorial[num_rotors_to_permute];
      |                                  ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1357:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBRotor*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1357 |     for (int i=0; i<vrotors.size(); ++i)
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1370:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<unsigned int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1370 |       for (int i=0; i<reordered_rotors.size(); ++i) {
      |                     ~^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1291:9: warning: unused variable ‘origLogLevel’ [-Wunused-variable]
 1291 |     int origLogLevel = _loglvl;
      |         ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1327:12: warning: variable ‘energy_offset’ set but not used [-Wunused-but-set-variable]
 1327 |     double energy_offset;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In function ‘void OpenBabel::Reweight(std::vector<std::vector<double> >&, std::vector<int>, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1571:15: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘int’} [-Wsign-compare]
 1571 |         if (j == rotorKey[i])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1590:15: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘int’} [-Wsign-compare]
 1590 |         if (j == rotorKey[i])
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:624:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:620:20: note: ‘constraint’ declared here
  620 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:624:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:620:20: note: ‘constraint’ declared here
  620 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:635:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:629:20: note: ‘constraint’ declared here
  629 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:635:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:629:20: note: ‘constraint’ declared here
  629 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:647:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:640:20: note: ‘constraint’ declared here
  640 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:647:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:640:20: note: ‘constraint’ declared here
  640 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:660:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:652:20: note: ‘constraint’ declared here
  652 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:660:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:652:20: note: ‘constraint’ declared here
  652 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddIgnore(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:580:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddIgnore(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:577:20: note: ‘constraint’ declared here
  577 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddIgnore(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:580:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddIgnore(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:577:20: note: ‘constraint’ declared here
  577 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:591:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:587:20: note: ‘constraint’ declared here
  587 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:591:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:587:20: note: ‘constraint’ declared here
  587 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:602:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:598:20: note: ‘constraint’ declared here
  598 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:602:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:598:20: note: ‘constraint’ declared here
  598 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:613:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:609:20: note: ‘constraint’ declared here
  609 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:613:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:609:20: note: ‘constraint’ declared here
  609 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBForceField::FastRotorSearch(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1393:29: warning: ‘minj’ may be used uninitialized [-Wmaybe-uninitialized]
 1393 |         rotorKey[idx + 1] = minj;
      |                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1319:21: note: ‘minj’ was declared here
 1319 |     unsigned int j, minj;
      |                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1410:11: warning: ‘minE’ may be used uninitialized [-Wmaybe-uninitialized]
 1410 |           if (minE < best_minE) {
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1320:22: note: ‘minE’ was declared here
 1320 |     double currentE, minE, best_minE;
      |                      ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/conformersearch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/conformersearch.cpp.o -MF CMakeFiles/openbabel.dir/conformersearch.cpp.o.d -o CMakeFiles/openbabel.dir/conformersearch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/conformersearch.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector<double*>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:250:12: warning: unused variable ‘score’ [-Wunused-variable]
  250 |     double score = ff->Energy(false); // no gradients
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘bool OpenBabel::OBConformerSearch::Setup(const OpenBabel::OBMol&, int, int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:352:23: warning: variable ‘end_it’ set but not used [-Wunused-but-set-variable]
  352 |       OBRotorIterator end_it = m_rotorList.EndRotors();
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::local_opt()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:790:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘size_t’ {aka ‘long unsigned int’} [-Wsign-compare]
  790 |     for (i = 1; i <= m_rotorList.Size(); ++i, rotor = m_rotorList.NextRotor(ri))
      |                 ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::reproduce(OpenBabel::RotorKey&, OpenBabel::RotorKey&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:851:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  851 |     if (iniche > -1)
      |         ~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::share_fitness()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1006:37: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<int> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1006 |         if ((dynamic_niches.size () < nb_niches) && (dynamic_niches.size () %2))
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1021:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1021 |                     if (dist < min_dist )
      |                         ~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1034:18: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1034 |         if (imax == -1)
      |             ~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1051:40: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<int> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1051 |             if (dynamic_niches.size () < nb_niches)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:977:10: warning: unused variable ‘flag_niched’ [-Wunused-variable]
  977 |     bool flag_niched = false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘double OpenBabel::OBConformerSearch::sharing_generation()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1140:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1140 |     while (ninsert < ((half_pop * 2) / 3))
      |            ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1149:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1149 |             if (iround < imax)
      |                 ~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1157:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1157 |                     if (ninsert >= half_pop)
      |                         ~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1182:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1182 |     while (ninsert < half_pop)
      |            ~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1106:23: warning: unused variable ‘lowest’ [-Wunused-variable]
 1106 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1106:37: warning: unused variable ‘highest’ [-Wunused-variable]
 1106 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘OpenBabel::OBConformerSearch::MakeSelection()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:550:31: warning: ‘highest’ may be used uninitialized [-Wmaybe-uninitialized]
  550 |     double sum = 0.0, lowest, highest;
      |                               ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/mol.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mol.cpp.o -MF CMakeFiles/openbabel.dir/mol.cpp.o.d -o CMakeFiles/openbabel.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘unsigned int OpenBabel::OBMol::NumHvyAtoms()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:809:30: warning: unnecessary parentheses in declaration of ‘i’ [-Wparentheses]
  809 |     vector<OBAtom*>::iterator(i);
      |                              ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:809:30: note: remove parentheses
  809 |     vector<OBAtom*>::iterator(i);
      |                              ^~~
      |                              - -
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘unsigned int OpenBabel::OBMol::GetTotalSpinMultiplicity()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:1221:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1221 |         if (chg % 2 != unpaired_electrons %2)
      |             ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/bond.h:32,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:23:
In member function ‘OpenBabel::OBAtom::GetIdx() const’,
    inlined from ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4289:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:189:63: warning: ‘atomB’ may be used uninitialized [-Wmaybe-uninitialized]
  189 |       unsigned int GetIdx()           const { return((int)_idx);  }
      |                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4273:21: note: ‘atomB’ was declared here
 4273 |             OBAtom *atomB, *atomE;
      |                     ^~~~~
In member function ‘OpenBabel::OBAtom::GetIdx() const’,
    inlined from ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4289:62:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:189:63: warning: ‘atomE’ may be used uninitialized [-Wmaybe-uninitialized]
  189 |       unsigned int GetIdx()           const { return((int)_idx);  }
      |                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4273:29: note: ‘atomE’ was declared here
 4273 |             OBAtom *atomB, *atomE;
      |                             ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/align.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/align.cpp.o -MF CMakeFiles/openbabel.dir/math/align.cpp.o.d -o CMakeFiles/openbabel.dir/math/align.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/align.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o -MF CMakeFiles/openbabel.dir/stereo/perception.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/perception.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘bool OpenBabel::TetStereoToWedgeHash(OBMol&, std::map<OBBond*, OBStereo::BondDirection>&, std::map<OBBond*, long unsigned int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2795:5: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation]
 2795 |     for (std::vector<OBGenericData*>::iterator data = vdata.begin(); data != vdata.end(); ++data)
      |     ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2951:7: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’
 2951 |       return true;
      |       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘void OpenBabel::StereoRefToImplicit(OBMol&, OBStereo::Ref)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2973:16: warning: ‘template<class _Operation> class std::binder1st’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                ^~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441,
                 from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/stereo.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/tetranonplanar.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/tetrahedral.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:26:
/usr/include/c++/15/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2973:88: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<long unsigned int>; _Tp = long unsigned int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                                                                           ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘void OpenBabel::ImplicitRefToStereo(OBMol&, OBStereo::Ref, OBStereo::Ref)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:3005:16: warning: ‘template<class _Operation> class std::binder1st’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                ^~~~~~~~~
/usr/include/c++/15/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:3005:93: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<long unsigned int>; _Tp = long unsigned int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                                                                                ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o -MF CMakeFiles/openbabel.dir/mcdlutil.cpp.o.d -o CMakeFiles/openbabel.dir/mcdlutil.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:423:5: warning: multi-line comment [-Wcomment]
  423 |     //                             /     \
      |     ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::threeBondResolve(int, int, double&, double&, OpenBabel::neighbourlist*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:968:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  968 |     for (i=0; i<bk[an].nb; i++) {
      |               ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:970:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  970 |       if (n != bondExcluded) {
      |           ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:982:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  982 |               for (k=0; k<rs; k++) if (bondList[k] == (*blStore)[j]) {
      |                         ~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:995:22: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  995 |           for (j=0; j<rs; j++) {
      |                     ~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1017:20: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1017 |         for (i=0; i<nAtoms(); i++) {
      |                   ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::deleteAtom(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1396:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1396 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |               ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1396:38: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1396 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |                                    ~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::makeFragment(std::vector<int>&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1471:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1471 |           for (j=0; j<list.size(); j++) if (list[j] == l) test1=true;
      |                     ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1478:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1478 |     } while (k<list.size());
      |              ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::defC(int&, int, int, std::vector<int>&, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2009:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2009 |           for (j=0; j<atomCycle[i].size(); j++) if (atomDefine[atomCycle[i][j]]>0) atDef=atDef+1;
      |                     ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2019:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2019 |       if (cN>=0) if (maxAtDef==atomCycle[cN].size()) {
      |                      ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2034:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2034 |           for (j=1; j<atomCycle[cN].size(); j++) atomCycle[cN][j-1]=atomCycle[cN][j];
      |                     ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2040:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2040 |         for (j=0;currNumDef < atomClean && j<atomCycle[cN].size()-maxAtDef; j++) {
      |                                            ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::defA(int&, int, int, int, std::vector<int>&, std::vector<int>, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2107:98: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2107 |       if (baseCycle>0) for (i=0; i<baseCycle; i++) if (cycleDefine[i]==0) if (atomCycle[i].size()<j) {
      |                                                                               ~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::redraw(std::vector<int>, std::vector<int>, int, int&, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2238:67: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2238 |         for (j=0; j<baseCycle; j++) if(cycleDescription[j].size() == cs) {
      |                                        ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2240:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2240 |             for (k=0; k<cycleDescription[j].size(); k++) if (bondList[k] != cycleDescription[j][k]) {
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2264:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2264 |       for (j=1; j<cycleDescription[i].size(); j++) {
      |                 ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2575:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2575 |               if ((nb + i) > dsATN.size()) nb=dsATN.size()-i; // Check added to avoid segfault below, see issue #1851
      |                   ~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::flipSmall(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2985:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2985 |       for (i=0; i<list1.size(); i++) {
      |                 ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2965:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 2965 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::bondEnlarge(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3024:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3024 |     for (i=0; i<list.size(); i++) { //coordinates change
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3002:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 3002 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::correctDblBondStereo()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3103:26: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3103 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3103:75: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3103 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3105:26: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3105 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3105:75: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3105 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::compareAtoms(int, int, std::vector<std::vector<int>*>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3127:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3127 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                  ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3127:63: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3127 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                                            ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::makeEquivalentList(std::vector<int>&, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3291:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3291 |       for (j=0; j<lL->size(); j++) (*lL)[i]=0;
      |                 ~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3299:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3299 |     for (i=0; i<equivalenceList.size(); i++) equivalenceList[i]=0;
      |               ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3309:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3309 |     for (int i=0; i<aeqList.size(); i++) delete(aeqList.at(i));
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::incrementValues(std::vector<int>&, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3325:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘const __gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘const int’} [-Wsign-compare]
 3325 |       if (l <= maxValues[i]) {
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TSimpleMolecule::correctOverlapped()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3374:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3374 |       for (i=0; i<rotBondList.size(); i++)
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3427:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3427 |           for (i=0; i<inner_bonds.size(); i++) if (inner_bonds[i] != 0) {
      |                     ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3437:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3437 |           for (i=0; i<remainder.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::deleteIntElement(std::vector<int>*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3540:44: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 3540 |     for (i=0; i<source->size(); i++) if (i != index) {
      |                                          ~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4216:19: warning: variable ‘nBondsOld’ set but not used [-Wunused-but-set-variable]
 4216 |     int nAtomsOld,nBondsOld,naDef1,naDef,i;
      |                   ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:15: warning: variable ‘test1’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |               ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:21: warning: variable ‘test2’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4219:40: warning: variable ‘xCenter’ set but not used [-Wunused-but-set-variable]
 4219 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4219:48: warning: variable ‘yCenter’ set but not used [-Wunused-but-set-variable]
 4219 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                                ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘OpenBabel::TEditedMolecule* OpenBabel::TEditedMolecule::extractFragment(int, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4410:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4410 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                  ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4410:71: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4410 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                                                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4415:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4415 |     for (i=0; i<list.size(); i++) inverseList[list[i]]=i;
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4418:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4418 |     for (i=0; i<list.size(); i++) {
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4399:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 4399 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TEditedMolecule::prepareQuery(OpenBabel::TSimpleMolecule&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4591:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4591 |       for (j=0; j<queryInverse.size(); j++) queryInverse[j]=queryAQTested[j];
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4596:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4596 |       for (i=0; i<queryQHydr.size(); i++) queryQHydr[i]=queryBQTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4601:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4601 |       for (i=0; i<bSTestedStore.size(); i++) bSTestedStore[i]=bSTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TEditedMolecule::removeHydrogen(std::vector<int>*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4636:31: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 4636 |       if (qEnumerator->size() != nAtoms()) qEnumerator->resize(nAtoms());
      |           ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4637:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4637 |       for (i=0; i<qEnumerator->size(); i++) (*qEnumerator)[i]=i;
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4666:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4666 |             for (j=0; j<qEnumerator->size(); j++) {
      |                       ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TEditedMolecule::fragmentSearch(OpenBabel::TEditedMolecule*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4853:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4853 |     if (molecule1->listarSize()>aSTested.size()) aSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4854:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4854 |     if (molecule1->listarSize()>bSTested.size()) bSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4855:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4855 |     if (molecule1->listarSize()>queryQHydr.size()) queryQHydr.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4856:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4856 |     if (molecule1->listarSize()>queryAQTested.size()) queryAQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4857:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4857 |     if (molecule1->listarSize()>queryBQTested.size()) queryBQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4858:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4858 |     if (molecule1->listarSize()>queryCurrentAssignment.size()) queryCurrentAssignment.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4859:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4859 |     if (this->listarSize()>queryAQTested.size()) queryAQTested.resize(this->listarSize());
      |         ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5036:10: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 5036 |       if (test2) for (j=0; j<molecule1->nBonds(); j++) if (bSTested[j]>=0) (*bondLabel)[j]=1; else (*bondLabel)[j]=0;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4840:9: warning: variable ‘cycleNumber’ set but not used [-Wunused-but-set-variable]
 4840 |     int cycleNumber;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TemplateRedraw::loadTemplates()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5115:24: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 5115 |     } catch (exception ex) {
      |                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TemplateRedraw::internalBondsPresent(OpenBabel::TEditedMolecule*, OpenBabel::TSimpleMolecule*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5205:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 5205 |     for (i=0; i<mQuery->nAtoms(); i++) aList[mQuery->queryAQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5206:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 5206 |     for (i=0; i<mQuery->nBonds(); i++) bList[mQuery->queryBQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::rotateBondVertically(OpenBabel::TSimpleMolecule*, std::vector<int>, int, double, double, double&, double&, double&, double&, double&, double&, int&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5236:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5236 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5281:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5281 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::selectFragmentConfiguration(OpenBabel::TSimpleMolecule*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5315:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5315 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5332:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5332 |       for (i=0; i<bondListAll.size(); i++) bondList[i]=bondListAll[i];
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5362:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5362 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5372:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5372 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::rescaleSingleFragment(OpenBabel::TSimpleMolecule*, std::vector<int>*, OpenBabel::PartFragmentDefinition&, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5403:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5403 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5416:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5416 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5432:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5432 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TemplateRedraw::coordinatesPrepare(OpenBabel::TEditedMolecule&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5671:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5671 |     for (i=kk; i<queryData.size(); i++) if ((TEditedMolecule *)queryData[i]->fragmentSearch(&sm,nullptr)) {
      |                ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5719:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5719 |       for (i=0; i<enumerator.size(); i++) enumerator[i]=-1;
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5722:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5722 |       for (i=0; i<enumerator.size(); i++) if (enumerator[i]==-1) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5730:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5730 |         for (j=0; j<enumerator.size(); j++)  if (enumerator[j]==i) {
      |                   ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5802:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5802 |       for (i=0; i<groupsFind.size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5832:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5832 |     for (i=0; i<groupsFind.size(); i++) delete(groupsFind[i]);
      |               ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5660:9: warning: variable ‘naStore’ set but not used [-Wunused-but-set-variable]
 5660 |     int naStore;
      |         ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::redrawFine(OpenBabel::TSimpleMolecule&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5898:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5898 |         for (j=0; j<atomList.size(); j++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5910:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5910 |       for (frCount=0; frCount<molList.size(); frCount++) {
      |                       ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5926:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5926 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5949:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5949 |       for (i=0; i<atomList.size(); i++) atomList[i]=i;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5964:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5964 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6004:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6004 |       for (i=0;i<frList.size(); i++) {
      |                ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6011:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6011 |       for (i=0; i<frList.size(); i++) {
      |                 ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6030:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::StereoBondStore*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6030 |     for (i=0; i<stereoBondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6038:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::StereoBondStore*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6038 |     for (i=0; i<stereoBondList.size(); i++) delete(stereoBondList[i]);
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6039:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6039 |     for (i=0; i<frList.size(); i++) delete(frList[i]);
      |               ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6040:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6040 |     for (i=0; i<molList.size(); i++) delete(molList[i]);
      |               ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘int OpenBabel::indexOf(std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6362:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 6362 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6363:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6363 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘std::string OpenBabel::getAtomMCDL(OBMol*, int, std::vector<int>, std::vector<int>, std::vector<int>, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6550:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6550 |         for (j=0; j<priority.size(); j++) priority[j]=0;
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6595:43: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6595 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6597:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6597 |           for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6603:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6603 |             for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6613:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6613 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-1;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6616:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6616 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-2;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6627:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6627 |       if (k == 1) for (i=0; i<anumStereo.size(); i++) if (anumStereo[i] == -1) {  //all parities should be changed to satisfy..
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6636:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6636 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6636:69: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6636 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6646:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6646 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘std::string OpenBabel::getBondMCDL(OBMol*, int, int, std::vector<int>, std::vector<int>, int (*)[4], std::vector<int>, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6847:43: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6847 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6849:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6849 |           for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6854:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6854 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6868:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6868 |                 for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6876:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6876 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) anumStereo[j]=-1;
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6881:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6881 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6881:69: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6881 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6891:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6891 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6684:26: warning: variable ‘n4’ set but not used [-Wunused-but-set-variable]
 6684 |     int i,j,n,m,n1,n2,n3,n4,an1,an2,an3,an4,k;
      |                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::implementAtomStereo(std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<double>, std::vector<double>, int, int, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6964:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6964 |         if (n1 < (astereo.length()-1)) astereo=astereo.substr(n1+1); else astereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::implementBondStereo(std::vector<int>, std::vector<int>, std::vector<double>&, std::vector<double>&, int, int, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7028:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7028 |         if (n1 < (bstereo.length()-1)) bstereo=bstereo.substr(n1+1); else bstereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7071:34: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 7071 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7085:34: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 7085 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘int OpenBabel::groupRedraw(OBMol*, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7163:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7163 |       for (i=0; i<atomList.size(); i++) allAtomList[atomList[i]]=1;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7171:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7171 |       for (int i=0; i<atomList.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::parseFormula(std::string, std::vector<int>&, int&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7213:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7213 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7216:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7216 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7237:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7237 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7240:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7240 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4333:16: warning: ‘r1’ may be used uninitialized [-Wmaybe-uninitialized]
 4333 |         xNew=r1*scale*xu1+this->getAtom(thisAN)->rx;
      |              ~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4220:12: note: ‘r1’ was declared here
 4220 |     double r1;
      |            ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/distgeom.cpp.o -MF CMakeFiles/openbabel.dir/distgeom.cpp.o.d -o CMakeFiles/openbabel.dir/distgeom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:54: warning: ignoring ‘#pragma warning ’ [-Wunknown-pragmas]
   54 | #pragma warning(disable : 4244) // warning C4244: '=' : conversion from 'double' to 'float', possible loss of data
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:55: warning: ignoring ‘#pragma warning ’ [-Wunknown-pragmas]
   55 | #pragma warning(disable : 4305) // warning C4305: '*=' : truncation from 'double' to 'float'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:619:3: warning: multi-line comment [-Wcomment]
  619 |   //              \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::generateInitialCoords()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1089:16: warning: unused variable ‘lb’ [-Wunused-variable]
 1089 |         double lb = _d->GetLowerBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1090:16: warning: unused variable ‘ub’ [-Wunused-variable]
 1090 |         double ub = _d->GetUpperBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::firstMinimization()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1136:16: warning: unused variable ‘lb’ [-Wunused-variable]
 1136 |         double lb = _d->GetLowerBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1137:16: warning: unused variable ‘ub’ [-Wunused-variable]
 1137 |         double ub = _d->GetUpperBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1115:9: warning: unused variable ‘niter’ [-Wunused-variable]
 1115 |     int niter = solver.minimize(fun, _coord, fx);
      |         ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::minimizeFourthDimension()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1160:9: warning: unused variable ‘niter’ [-Wunused-variable]
 1160 |     int niter = solver.minimize(fun, _coord, fx);
      |         ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘double OpenBabel::DistGeomFunc::operator()(const Eigen::VectorXd&, Eigen::VectorXd&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1325:23: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘Eigen::Index’ {aka ‘long int’} [-Wsign-compare]
 1325 |     for (size_t i=0; i<grad.rows(); i++) {
      |                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘double OpenBabel::DistGeomFunc4D::operator()(const Eigen::VectorXd&, Eigen::VectorXd&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1452:23: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘Eigen::Index’ {aka ‘long int’} [-Wsign-compare]
 1452 |     for (size_t i=0; i<grad.rows(); i++) {
      |                      ~^~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:34:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:337:
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h: In function ‘Eigen::internal::selfadjoint_product_impl<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false>, 17, false, Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, -1, 1, 0, -1, 1> const> const, Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, 1, true>, -1, 1, false> const>, 0, true>::run<Eigen::Block<Eigen::Matrix<double, -1, 1, 0, -1, 1>, -1, 1, false> >(Eigen::Block<Eigen::Matrix<double, -1, 1, 0, -1, 1>, -1, 1, false>&, Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const&, Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, -1, 1, 0, -1, 1> const> const, Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, 1, true>, -1, 1, false> const> const&, double const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h:229:7: warning: ‘result_66’ may be used uninitialized [-Wmaybe-uninitialized]
  227 |     internal::selfadjoint_matrix_vector_product<Scalar, Index, (internal::traits<ActualLhsTypeCleaned>::Flags&RowMajorBit) ? RowMajor : ColMajor,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  228 |                                                 int(LhsUpLo), bool(LhsBlasTraits::NeedToConjugate), bool(RhsBlasTraits::NeedToConjugate)>::run
      |                                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  229 |       (
      |       ^
  230 |         lhs.rows(),                             // size
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  231 |         &lhs.coeffRef(0,0),  lhs.outerStride(), // lhs info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  232 |         actualRhsPtr,                           // rhs info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  233 |         actualDestPtr,                          // result info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  234 |         actualAlpha                             // scale factor
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  235 |       );
      |       ~
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h:41:6: note: by argument 4 of type ‘const double *’ to ‘Eigen::internal::selfadjoint_matrix_vector_product<double, long, 0, 1, false, false, 0>::run(long, double const*, long, double const*, double*, double)’ declared here
   41 | void selfadjoint_matrix_vector_product<Scalar,Index,StorageOrder,UpLo,ConjugateLhs,ConjugateRhs,Version>::run(
      |      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 14%] Linking CXX shared library ../lib64/libopenbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/openbabel.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libopenbabel.so.7 -o ../lib64/libopenbabel.so.7.0.0 CMakeFiles/openbabel.dir/alias.cpp.o CMakeFiles/openbabel.dir/atom.cpp.o CMakeFiles/openbabel.dir/base.cpp.o CMakeFiles/openbabel.dir/bitvec.cpp.o CMakeFiles/openbabel.dir/bond.cpp.o CMakeFiles/openbabel.dir/bondtyper.cpp.o CMakeFiles/openbabel.dir/builder.cpp.o CMakeFiles/openbabel.dir/canon.cpp.o CMakeFiles/openbabel.dir/chains.cpp.o CMakeFiles/openbabel.dir/chargemodel.cpp.o CMakeFiles/openbabel.dir/data.cpp.o CMakeFiles/openbabel.dir/data_utilities.cpp.o CMakeFiles/openbabel.dir/descriptor.cpp.o CMakeFiles/openbabel.dir/elements.cpp.o CMakeFiles/openbabel.dir/fingerprint.cpp.o CMakeFiles/openbabel.dir/forcefield.cpp.o CMakeFiles/openbabel.dir/format.cpp.o CMakeFiles/openbabel.dir/generic.cpp.o CMakeFiles/openbabel.dir/graphsym.cpp.o CMakeFiles/openbabel.dir/grid.cpp.o CMakeFiles/openbabel.dir/griddata.cpp.o CMakeFiles/openbabel.dir/isomorphism.cpp.o CMakeFiles/openbabel.dir/kekulize.cpp.o CMakeFiles/openbabel.dir/locale.cpp.o CMakeFiles/openbabel.dir/matrix.cpp.o CMakeFiles/openbabel.dir/mcdlutil.cpp.o CMakeFiles/openbabel.dir/molchrg.cpp.o CMakeFiles/openbabel.dir/mol.cpp.o CMakeFiles/openbabel.dir/obconversion.cpp.o CMakeFiles/openbabel.dir/oberror.cpp.o CMakeFiles/openbabel.dir/obfunctions.cpp.o CMakeFiles/openbabel.dir/obiter.cpp.o CMakeFiles/openbabel.dir/obutil.cpp.o CMakeFiles/openbabel.dir/op.cpp.o CMakeFiles/openbabel.dir/parsmart.cpp.o CMakeFiles/openbabel.dir/patty.cpp.o CMakeFiles/openbabel.dir/phmodel.cpp.o CMakeFiles/openbabel.dir/plugin.cpp.o CMakeFiles/openbabel.dir/pointgroup.cpp.o CMakeFiles/openbabel.dir/query.cpp.o CMakeFiles/openbabel.dir/rand.cpp.o CMakeFiles/openbabel.dir/reactionfacade.cpp.o CMakeFiles/openbabel.dir/residue.cpp.o CMakeFiles/openbabel.dir/ring.cpp.o CMakeFiles/openbabel.dir/rotamer.cpp.o CMakeFiles/openbabel.dir/rotor.cpp.o CMakeFiles/openbabel.dir/spectrophore.cpp.o CMakeFiles/openbabel.dir/tautomer.cpp.o CMakeFiles/openbabel.dir/tokenst.cpp.o CMakeFiles/openbabel.dir/transform.cpp.o CMakeFiles/openbabel.dir/typer.cpp.o CMakeFiles/openbabel.dir/obmolecformat.cpp.o CMakeFiles/openbabel.dir/conformersearch.cpp.o CMakeFiles/openbabel.dir/confsearch.cpp.o CMakeFiles/openbabel.dir/distgeom.cpp.o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o CMakeFiles/openbabel.dir/depict/depict.cpp.o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o CMakeFiles/openbabel.dir/math/transform3d.cpp.o CMakeFiles/openbabel.dir/math/vector3.cpp.o CMakeFiles/openbabel.dir/math/align.cpp.o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o CMakeFiles/openbabel.dir/stereo/perception.cpp.o CMakeFiles/openbabel.dir/stereo/facade.cpp.o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o  -lm -ldl -lz 
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_symlink_library ../lib64/libopenbabel.so.7.0.0 ../lib64/libopenbabel.so.7 ../lib64/libopenbabel.so
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘CreateAtom’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:457:53: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=]
  457 |             AtomSpec *tmp = new AtomSpec[pat->aalloc];
      |                                                     ^
/usr/include/c++/15/new:140:26: note: in a call to allocation function ‘operator new []’ declared here
  140 | _GLIBCXX_NODISCARD void* operator new[](std::size_t)
      |                          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:463:47: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=]
  463 |           pat->atom = new AtomSpec[pat->aalloc];
      |                                               ^
/usr/include/c++/15/new:140:26: note: in a call to allocation function ‘operator new []’ declared here
  140 | _GLIBCXX_NODISCARD void* operator new[](std::size_t)
      |                          ^
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[ 14%] Built target openbabel
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 16%] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dnulformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o -MF CMakeFiles/nulformat.dir/nulformat.cpp.o.d -o CMakeFiles/nulformat.dir/nulformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nulformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nulformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 15%] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcopyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o -MF CMakeFiles/copyformat.dir/copyformat.cpp.o.d -o CMakeFiles/copyformat.dir/copyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/copyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/copyformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 17%] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtextformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/textformat.dir/textformat.cpp.o -MF CMakeFiles/textformat.dir/textformat.cpp.o.d -o CMakeFiles/textformat.dir/textformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/textformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/textformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 18%] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmolreport_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/molreport.dir/molreport.cpp.o -MF CMakeFiles/molreport.dir/molreport.cpp.o.d -o CMakeFiles/molreport.dir/molreport.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molreport.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molreport.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 19%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtitleformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o -MF CMakeFiles/titleformat.dir/titleformat.cpp.o.d -o CMakeFiles/titleformat.dir/titleformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/titleformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/titleformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 17%] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o -MF CMakeFiles/painterformat.dir/painterformat.cpp.o.d -o CMakeFiles/painterformat.dir/painterformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp: In member function ‘virtual bool OpenBabel::PainterFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp:114:12: warning: unused variable ‘ofs’ [-Wunused-variable]
  114 |   ostream& ofs = *pConv->GetOutStream();
      |            ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 18%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o -MF CMakeFiles/asciiformat.dir/asciiformat.cpp.o.d -o CMakeFiles/asciiformat.dir/asciiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/asciiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/asciiformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 23%] Linking CXX shared module ../../lib64/nulformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nulformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/nulformat.so CMakeFiles/nulformat.dir/nulformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Built target nulformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 23%] Linking CXX shared module ../../lib64/copyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/copyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/copyformat.so CMakeFiles/copyformat.dir/copyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 26%] Built target copyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 23%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o -MF CMakeFiles/dmolformat.dir/dmolformat.cpp.o.d -o CMakeFiles/dmolformat.dir/dmolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dmolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dmolformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Linking CXX shared module ../../lib64/molreport.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molreport.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/molreport.so CMakeFiles/molreport.dir/molreport.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 26%] Built target molreport
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 17%] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dreportformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o -MF CMakeFiles/reportformat.dir/reportformat.cpp.o.d -o CMakeFiles/reportformat.dir/reportformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/reportformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/reportformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Linking CXX shared module ../../lib64/titleformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/titleformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/titleformat.so CMakeFiles/titleformat.dir/titleformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 27%] Built target titleformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 23%] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcastepformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o -MF CMakeFiles/castepformat.dir/castepformat.cpp.o.d -o CMakeFiles/castepformat.dir/castepformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp: In member function ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:195:21: warning: ‘pressure’ may be used uninitialized [-Wmaybe-uninitialized]
  195 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:12: note: ‘pressure’ was declared here
   94 |     double pressure, volume, enthalpy;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:195:21: warning: ‘volume’ may be used uninitialized [-Wmaybe-uninitialized]
  195 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:22: note: ‘volume’ was declared here
   94 |     double pressure, volume, enthalpy;
      |                      ^~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:211:17:
/usr/include/bits/stdio2.h:68:35: warning: ‘enthalpy’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp: In member function ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:30: note: ‘enthalpy’ was declared here
   94 |     double pressure, volume, enthalpy;
      |                              ^~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 20%] Building CXX object src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpngformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o -MF CMakeFiles/pngformat.dir/pngformat.cpp.o.d -o CMakeFiles/pngformat.dir/pngformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp:13:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 23%] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddaltonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o -MF CMakeFiles/daltonformat.dir/daltonformat.cpp.o.d -o CMakeFiles/daltonformat.dir/daltonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp: In member function ‘virtual bool OpenBabel::DALTONInputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:148:9: warning: variable ‘atomcount’ set but not used [-Wunused-but-set-variable]
  148 |     int atomcount = 0; // for each atom type
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp: In member function ‘virtual bool OpenBabel::DALTONInputFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:312:31: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  312 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:332:31: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  332 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 23%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dabinitformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o -MF CMakeFiles/abinitformat.dir/abinitformat.cpp.o.d -o CMakeFiles/abinitformat.dir/abinitformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp: In member function ‘virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:99:12: warning: variable ‘acell’ set but not used [-Wunused-but-set-variable]
   99 |     double acell[3]; // scale of lattice vectors
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:212:23: warning: ‘natom’ may be used uninitialized [-Wmaybe-uninitialized]
  212 |     for (int i = 0; i < natom; ++i) {
      |                     ~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:90:9: note: ‘natom’ was declared here
   90 |     int natom;
      |         ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 24%] Linking CXX shared module ../../lib64/textformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/textformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/textformat.so CMakeFiles/textformat.dir/textformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 30%] Built target textformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eem.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -MF CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o.d -o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/commandpainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 18%] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMNAformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o -MF CMakeFiles/MNAformat.dir/MNAformat.cpp.o.d -o CMakeFiles/MNAformat.dir/MNAformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MNAformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MNAformat.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 23%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dacesformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o -MF CMakeFiles/acesformat.dir/acesformat.cpp.o.d -o CMakeFiles/acesformat.dir/acesformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acesformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acesformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 20%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Daoforceformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -MF CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o.d -o CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/aoforceformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/aoforceformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 21%] Building CXX object src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpovrayformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o -MF CMakeFiles/povrayformat.dir/povrayformat.cpp.o.d -o CMakeFiles/povrayformat.dir/povrayformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In member function ‘void OpenBabel::PovrayFormat::OutputHeader(std::ostream&, OpenBabel::OBMol&, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:173:12: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
  173 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In function ‘void OpenBabel::OutputCSTBonds(std::ostream&, OBMol&, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:526:78: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<char>; _Tp = char]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  526 |         bond_type.erase(remove_if(bond_type.begin(), bond_type.end(), bind1st(equal_to<char>(), '.')), bond_type.end());
      |                                                                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:587:78: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<char>; _Tp = char]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  587 |         bond_type.erase(remove_if(bond_type.begin(), bond_type.end(), bind1st(equal_to<char>(), '.')), bond_type.end());
      |                                                                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In member function ‘virtual bool OpenBabel::PovrayFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:807:17: warning: unused variable ‘title’ [-Wunused-variable]
  807 |     const char* title = pmol->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 17%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsvgformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o -MF CMakeFiles/svgformat.dir/svgformat.cpp.o.d -o CMakeFiles/svgformat.dir/svgformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp: In member function ‘virtual bool OpenBabel::SVGFormat::WriteChemObject(OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:226:42: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  226 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:248:18: warning: unused variable ‘n’ [-Wunused-variable]
  248 |     unsigned int n=0;
      |                  ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp: In member function ‘virtual bool OpenBabel::SVGFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:273:8: warning: unused variable ‘ret’ [-Wunused-variable]
  273 |   bool ret = WriteSVG(pConv,_objects);
      |        ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 26%] Linking CXX shared module ../../lib64/dmolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -MF CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o.d -o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp: In member function ‘virtual void OpenBabel::ASCIIPainter::DrawText(double, double, const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp:118:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  118 |     for (int i=0; i<text.size(); ++i) {
      |                   ~^~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Built target dmolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 17%] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcrystal09format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o -MF CMakeFiles/crystal09format.dir/crystal09format.cpp.o.d -o CMakeFiles/crystal09format.dir/crystal09format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 27%] Linking CXX shared module ../../lib64/reportformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/reportformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/reportformat.so CMakeFiles/reportformat.dir/reportformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Built target reportformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 28%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o -MF CMakeFiles/inchiformat.dir/getinchi.cpp.o.d -o CMakeFiles/inchiformat.dir/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/getinchi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 29%] Linking CXX shared module ../../lib64/castepformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/castepformat.so CMakeFiles/castepformat.dir/castepformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Built target castepformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 20%] Building CXX object src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dconfabreport_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o -MF CMakeFiles/confabreport.dir/confabreport.cpp.o.d -o CMakeFiles/confabreport.dir/confabreport.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp: In member function ‘void OpenBabel::ConfabReport::WriteOutput(std::ostream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:129:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  129 |     for (int i=1; i < binvals.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:134:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  134 |     for (int i=1; i < cumbins.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 30%] Linking CXX shared module ../../lib64/abinitformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Built target abinitformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 20%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmol2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o -MF CMakeFiles/mol2format.dir/mol2format.cpp.o.d -o CMakeFiles/mol2format.dir/mol2format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: In member function ‘virtual bool OpenBabel::MOL2Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:422:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  422 |               if(aid <= mol.NumAtoms())
      |                  ~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: In member function ‘virtual int OpenBabel::MOL2Format::SkipObjects(int, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:785:10: warning: unused variable ‘ch’ [-Wunused-variable]
  785 |     char ch = ifs.peek();
      |          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:86:15: warning: ‘bool OpenBabel::IsThiocarboxylSulfur(OBAtom*)’ defined but not used [-Wunused-function]
   86 |   static bool IsThiocarboxylSulfur(OBAtom* queryatom)
      |               ^~~~~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Linking CXX shared module ../../lib64/painterformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/painterformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/painterformat.so CMakeFiles/painterformat.dir/painterformat.cpp.o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Built target painterformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 29%] Linking CXX shared module ../../lib64/daltonformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/daltonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/daltonformat.so CMakeFiles/daltonformat.dir/daltonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Built target daltonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 30%] Linking CXX shared module ../../lib64/pngformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pngformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pngformat.so CMakeFiles/pngformat.dir/pngformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Built target pngformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Linking CXX shared module ../../lib64/aoforceformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/aoforceformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Built target aoforceformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/gasteiger.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/gasteiger.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Linking CXX shared module ../../lib64/acesformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acesformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/acesformat.so CMakeFiles/acesformat.dir/acesformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Built target acesformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Linking CXX shared module ../../lib64/MNAformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MNAformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/none.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/none.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/none.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Built target MNAformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/none.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Linking CXX shared module ../../lib64/svgformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/svgformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/svgformat.so CMakeFiles/svgformat.dir/svgformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Built target svgformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Linking CXX shared module ../../lib64/confabreport.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/confabreport.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/confabreport.so CMakeFiles/confabreport.dir/confabreport.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -MF CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o.d -o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Built target confabreport
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Linking CXX shared module ../../lib64/asciiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/asciiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/asciiformat.so CMakeFiles/asciiformat.dir/asciiformat.cpp.o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 34%] Built target asciiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 23%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dadfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o -MF CMakeFiles/adfformat.dir/adfformat.cpp.o.d -o CMakeFiles/adfformat.dir/adfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:37:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:46:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp: In member function ‘bool OpenBabel::OBT41Format::ReadASCII(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:871:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  871 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:871:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  871 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:884:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  884 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:884:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  884 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:906:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  906 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:906:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  906 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:921:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  921 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:921:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  921 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:936:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  936 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:936:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  936 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Linking CXX shared module ../../lib64/povrayformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/povrayformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/povrayformat.so CMakeFiles/povrayformat.dir/povrayformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Linking CXX shared module ../../lib64/crystal09format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crystal09format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Built target povrayformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Built target crystal09format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 23%] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfchkformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o -MF CMakeFiles/fchkformat.dir/fchkformat.cpp.o.d -o CMakeFiles/fchkformat.dir/fchkformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/functional:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp: In member function ‘virtual bool OpenBabel::FCHKFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:596:40: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  596 |         if (alphaorb_found && (numAOrb > alphaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:609:40: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  609 |         if (betaorb_found &&  (numBOrb > betaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:668:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less_equal<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  668 |                                    bind2nd(less_equal<int>(), 0)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:671:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = greater<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  671 |                                    bind2nd(greater<int>(), MxBond)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:674:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  674 |                                    bind2nd(less<int>(), 0)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:677:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = greater<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  677 |                                    bind2nd(greater<int>(), Natoms)))
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:700:40: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  700 |     if (numAOrb > 0 && alphaorb.size() == numAOrb) {
      |                        ~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:704:41: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  704 |       if (numBOrb > 0 && betaorb.size() == numBOrb) {  // open shell calculation
      |                          ~~~~~~~~~~~~~~~^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 27%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/groupcontrib.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/canonical.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/canonical.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 20%] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpdbformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o -MF CMakeFiles/pdbformat.dir/pdbformat.cpp.o.d -o CMakeFiles/pdbformat.dir/pdbformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:615:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘const int’ [-Wsign-compare]
  615 |               if (origin == pUC->GetSpaceGroup()->HEXAGONAL_ORIGIN)
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:684:58: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  684 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:684:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:702:70: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  702 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                      ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:702:29:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:35: warning: ‘%+d’ directive output may be truncated writing between 2 and 6 bytes into a region of size 3 [-Wformat-truncation=]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                   ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:34: note: directive argument in the range [-32768, 32767]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                  ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 3 and 7 bytes into a destination of size 3
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32761 [-Wstringop-truncation]
  303 |     strncpy(integerBuffer, buffer+columnAsSpecifiedInPDB-1, 5);
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32756 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32751 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32746 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32741 [-Wstringop-truncation]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/filters.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/filters.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp: In member function ‘virtual bool OpenBabel::PatternFP::GetFingerprint(OpenBabel::OBBase*, std::vector<unsigned int>&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:109:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  109 |     while(n < _bitcount)
      |           ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp: In member function ‘virtual std::string OpenBabel::PatternFP::DescribeBits(std::vector<unsigned int>, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:258:34: warning: operation on ‘div’ may be undefined [-Wsequence-point]
  258 |         ngrp = (num + div -1)/div--; //rounds up
      |                               ~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:258:34: warning: operation on ‘div’ may be undefined [-Wsequence-point]
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Linking CXX shared module ../../lib64/mol2format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mol2format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mol2format.so CMakeFiles/mol2format.dir/mol2format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 36%] Built target mol2format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/mmff94.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/mmff94.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 22%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o -MF CMakeFiles/inchiformat.dir/inchiformat.cpp.o.d -o CMakeFiles/inchiformat.dir/inchiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp: In member function ‘virtual bool OpenBabel::InChIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:193:52: warning: comparison of integer expressions of different signedness: ‘long unsigned int’ and ‘AT_NUM’ {aka ‘short int’} [-Wsign-compare]
  193 |         if ( !(a->GetId() == ct->end || a->GetId() == stereo.neighbor[0] ) ) {
      |                                         ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:199:54: warning: comparison of integer expressions of different signedness: ‘long unsigned int’ and ‘AT_NUM’ {aka ‘short int’} [-Wsign-compare]
  199 |         if ( !(b->GetId() == ct->begin || b->GetId() == stereo.neighbor[3] ) ) {
      |                                           ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp: In member function ‘virtual bool OpenBabel::OpChangeCell::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:88:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OpChangeCell::vc_val>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
   88 |   for(int i = 0; i < vcvs.size(); i++)
      |                  ~~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:119:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OpChangeCell::vc_val>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  119 |     for(int i = 0; i < vcvs.size(); i++)
      |                    ~~^~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfhiaimsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -MF CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o.d -o CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhiaimsformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp: In member function ‘virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp:102:36: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  102 |                 for ( int i = 1; i <= mol.NumAtoms(); i++)
      |                                  ~~^~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhiaimsformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 36%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dhinformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o -MF CMakeFiles/hinformat.dir/hinformat.cpp.o.d -o CMakeFiles/hinformat.dir/hinformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/hinformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/hinformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../../lib64/fhiaimsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhiaimsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fhiaimsformat.so CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Built target fhiaimsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/fillUC.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/fillUC.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp: In member function ‘virtual bool OpenBabel::OpMinimize::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:265:10: warning: unused variable ‘done’ [-Wunused-variable]
  265 |     bool done = true;
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/fchkformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fchkformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Built target fchkformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 36%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Djaguarformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -MF CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o.d -o CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/jaguarformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/jaguarformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../lib64/plugin_descriptors.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 39%] Built target plugin_descriptors
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../../lib64/hinformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/hinformat.so CMakeFiles/hinformat.dir/hinformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 39%] Built target hinformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/adfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/adfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/adfformat.so CMakeFiles/adfformat.dir/adfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 39%] Built target adfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 36%] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgulpformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o -MF CMakeFiles/gulpformat.dir/gulpformat.cpp.o.d -o CMakeFiles/gulpformat.dir/gulpformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp: In member function ‘OpenBabel::GULPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:359:14: warning: ‘enthalpy_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  359 |       double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:96:12: note: ‘enthalpy_eV’ was declared here
   96 |     double enthalpy_eV, pv_eV;
      |            ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:360:14: warning: ‘pv_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  360 |       double pv_kcal_per_mole = pv_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:96:25: note: ‘pv_eV’ was declared here
   96 |     double enthalpy_eV, pv_eV;
      |                         ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Built target pdbformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 37%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:572:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:572:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:587:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocamake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
tor<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:587:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 104B]’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 104B]’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 105B]’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 105B]’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM[(const struct OBFFVDWCalculationGaff &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM[(const struct OBFFVDWCalculationGaff &)&vdwcalc].rab’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationGaff::OBFFElectrostaticCalculationGaff(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:72:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGaff>::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff>&, OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGaff, std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::push_back(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1054:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1012:38: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 1012 |     OBFFElectrostaticCalculationGaff elecalc;
      |                                      ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationGaff::OBFFElectrostaticCalculationGaff(OpenBabel::OBFFElectrostaticCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGaff>::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff>&, OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGaff, std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::push_back(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1054:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:72:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationGaff &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   72 |   class OBFFElectrostaticCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1012:38: note: ‘MEM[(const struct OBFFElectrostaticCalculationGaff &)&elecalc].rab’ was declared here
 1012 |     OBFFElectrostaticCalculationGaff elecalc;
      |                                      ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/largest.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/largest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/largest.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgausszmatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -MF CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o.d -o CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausszmatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausszmatformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/neutralize.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/neutralize.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 39%] Linking CXX shared module ../../lib64/jaguarformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/jaguarformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 36%] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmolproformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o -MF CMakeFiles/molproformat.dir/molproformat.cpp.o.d -o CMakeFiles/molproformat.dir/molproformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molproformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molproformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Built target jaguarformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/loader.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpwscfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -MF CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o.d -o CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:282:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘enthalpy’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp: In member function ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:98:12: note: ‘enthalpy’ was declared here
   98 |     double enthalpy, pv;
      |            ^~~~~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:284:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘pv’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp: In member function ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:98:22: note: ‘pv’ was declared here
   98 |     double enthalpy, pv;
      |                      ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -MF CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o.d -o CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp: In member function ‘virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:432:25: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBGridData*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  432 |       while (vgd.size() < nCubes)
      |              ~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:479:26: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  479 |     while (values.size() < n*nCubes)
      |            ~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:114:17: warning: unused variable ‘title’ [-Wunused-variable]
  114 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 26%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:477:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:477:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:492:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:492:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 104B]’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 104B]’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 105B]’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 105B]’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM[(const struct OBFFVDWCalculationGhemical &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM[(const struct OBFFVDWCalculationGhemical &)&vdwcalc].rab’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationGhemical::OBFFElectrostaticCalculationGhemical(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:71:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>&, OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGhemical, std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::push_back(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:829:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:787:42: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
  787 |     OBFFElectrostaticCalculationGhemical elecalc;
      |                                          ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationGhemical::OBFFElectrostaticCalculationGhemical(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>&, OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGhemical, std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::push_back(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:829:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:71:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationGhemical &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   71 |   class OBFFElectrostaticCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:787:42: note: ‘MEM[(const struct OBFFElectrostaticCalculationGhemical &)&elecalc].rab’ was declared here
  787 |     OBFFElectrostaticCalculationGhemical elecalc;
      |                                          ^~~~~~~
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/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/partialcharges.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp: In member function ‘virtual bool OpenBabel::OpSplit::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:92:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   92 |   if(!pConv)
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:95:5: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   95 |     if(pConv->IsFirstInput())
      |     ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../../lib64/inchiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/inchiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/inchiformat.so CMakeFiles/inchiformat.dir/inchiformat.cpp.o CMakeFiles/inchiformat.dir/getinchi.cpp.o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Built target inchiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/pwscfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pwscfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pwscfformat.so CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[ 42%] Built target pwscfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 39%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/readconformers.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/readconformers.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dturbomoleformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -MF CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o.d -o CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/turbomoleformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/turbomoleformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Linking CXX shared module ../../lib64/gausszmatformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Linking CXX shared module ../../lib64/molproformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/molproformat.so CMakeFiles/molproformat.dir/molproformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 15%] Building CXX object src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmdlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o -MF CMakeFiles/mdlformat.dir/mdlformat.cpp.o.d -o CMakeFiles/mdlformat.dir/mdlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h: In function ‘unsigned int MDLValence(unsigned int, int, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:51:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   51 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:51:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   51 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:64:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   64 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:64:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   64 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:77:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   77 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:77:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   77 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:90:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   90 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:90:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   90 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:103:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  103 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:103:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  103 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:116:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  116 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:116:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  116 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:119:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  119 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:119:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  119 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:121:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  121 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:121:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  121 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:134:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  134 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:134:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  134 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:137:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  137 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:137:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  137 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:139:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  139 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:139:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  139 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:152:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  152 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:152:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  152 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:155:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  155 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:155:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  155 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:157:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  157 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:157:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  157 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:170:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  170 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:170:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  170 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:173:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  173 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:173:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  173 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:175:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  175 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:175:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  175 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:188:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  188 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:188:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  188 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:191:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  191 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:191:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  191 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:193:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  193 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:193:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  193 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:206:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  206 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:206:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  206 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:209:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  209 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:209:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  209 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:211:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  211 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:211:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  211 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:223:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  223 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:223:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  223 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:226:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  226 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:226:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  226 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:228:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  228 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:228:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  228 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:240:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  240 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:240:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  240 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:243:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  243 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:243:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  243 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:245:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  245 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:245:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  245 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:257:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  257 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:257:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  257 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:260:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  260 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:260:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  260 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:262:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  262 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:262:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  262 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:274:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  274 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:274:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  274 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:277:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  277 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:277:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  277 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:279:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  279 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:279:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  279 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:291:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  291 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:291:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  291 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:294:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  294 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:294:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  294 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:296:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  296 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:296:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  296 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:298:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  298 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:298:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  298 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:310:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  310 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:310:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  310 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:313:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  313 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:313:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  313 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:315:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  315 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:315:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  315 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:317:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  317 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:317:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  317 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:329:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  329 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:329:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  329 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:332:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  332 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:332:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  332 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:334:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  334 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:334:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  334 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:336:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  336 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:336:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  336 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:348:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  348 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:348:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  348 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:351:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  351 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:351:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  351 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:353:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  353 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:353:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  353 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:355:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  355 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:355:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  355 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:367:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  367 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:367:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  367 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:370:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  370 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:370:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  370 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:372:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  372 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:372:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  372 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:374:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  374 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:374:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  374 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:385:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  385 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:385:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  385 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:388:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  388 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:388:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  388 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:390:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  390 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:390:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  390 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:392:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  392 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:392:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  392 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:394:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  394 |               if (val <= 3) return 3;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:394:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  394 |               if (val <= 3) return 3;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h: In function ‘unsigned int HYDValence(unsigned int, int, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:416:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  416 |   if (val > impval) {
      |       ~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘bool OpenBabel::MDLFormat::ReadAtomBlock(std::istream&, OpenBabel::OBMol&, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1488:10: warning: unused variable ‘chiralWatch’ [-Wunused-variable]
 1488 |     bool chiralWatch=false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:27: warning: ‘%02d’ directive output may be truncated writing between 2 and 11 bytes into a region of size between 0 and 9 [-Wformat-truncation=]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:22: note: directive argument in the range [-2147483648, 2147483547]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                      ^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/iomanip:47,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:27:
In function ‘snprintf’,
    inlined from ‘OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:13:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 11 and 56 bytes into a destination of size 11
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘OpenBabel::MDLFormat::CisTransFromUpDown(OpenBabel::OBMol*, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection, std::less<OpenBabel::OBBond*>, std::allocator<std::pair<OpenBabel::OBBond* const, OpenBabel::OBStereo::BondDirection> > >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:2022:7: warning: ‘a1_stereo’ may be used uninitialized [-Wmaybe-uninitialized]
 2022 |       if (a1_stereo == a2_stereo)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1987:31: note: ‘a1_stereo’ was declared here
 1987 |       OBStereo::BondDirection a1_stereo, a2_stereo;
      |                               ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:2022:7: warning: ‘a2_stereo’ may be used uninitialized [-Wmaybe-uninitialized]
 2022 |       if (a1_stereo == a2_stereo)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1987:42: note: ‘a2_stereo’ was declared here
 1987 |       OBStereo::BondDirection a1_stereo, a2_stereo;
      |                                          ^~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Built target gausszmatformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Built target molproformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 39%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/optransform.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/optransform.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/optransform.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/phmodel.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/optransform.h:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dqchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o -MF CMakeFiles/qchemformat.dir/qchemformat.cpp.o.d -o CMakeFiles/qchemformat.dir/qchemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp: In member function ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:194:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  194 |             if (nbAtomRead != mol.NumAtoms())
      |                 ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dzindoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o -MF CMakeFiles/zindoformat.dir/zindoformat.cpp.o.d -o CMakeFiles/zindoformat.dir/zindoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/zindoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/zindoformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/xout.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/xout.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/xout.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxsfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o -MF CMakeFiles/xsfformat.dir/xsfformat.cpp.o.d -o CMakeFiles/xsfformat.dir/xsfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xsfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xsfformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/turbomoleformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/turbomoleformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/turbomoleformat.so CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Built target turbomoleformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmopacformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o -MF CMakeFiles/mopacformat.dir/mopacformat.cpp.o.d -o CMakeFiles/mopacformat.dir/mopacformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘virtual bool OpenBabel::MOPACCARTFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:650:19: warning: variable ‘isotopeMass’ set but not used [-Wunused-but-set-variable]
  650 |     double x,y,z, isotopeMass;
      |                   ^~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:35,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:19:
In member function ‘OpenBabel::vector3::Set(double, double, double)’,
    inlined from ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:216:66:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/vector3.h:89:11: warning: ‘x’ may be used uninitialized [-Wmaybe-uninitialized]
   89 |       _vx = inX;
      |       ~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:81:12: note: ‘x’ was declared here
   81 |     double x,y,z;
      |            ^
In member function ‘OpenBabel::vector3::Set(double, double, double)’,
    inlined from ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:216:66:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/vector3.h:90:11: warning: ‘y’ may be used uninitialized [-Wmaybe-uninitialized]
   90 |       _vy = inY;
      |       ~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:81:14: note: ‘y’ was declared here
   81 |     double x,y,z;
      |              ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DAPIInterface_EXPORTS -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o -MF CMakeFiles/APIInterface.dir/APIInterface.cpp.o.d -o CMakeFiles/APIInterface.dir/APIInterface.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/APIInterface.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/APIInterface.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 41%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/zindoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/zindoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/zindoformat.so CMakeFiles/zindoformat.dir/zindoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Built target zindoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DCSRformat_EXPORTS -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o -MF CMakeFiles/CSRformat.dir/CSRformat.cpp.o.d -o CMakeFiles/CSRformat.dir/CSRformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp: In member function ‘OpenBabel::CSRFormat::PadString(char*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:192:12: warning: ‘__strncpy_chk’ output truncated before terminating nul copying as many bytes from a string as its length [-Wstringop-truncation]
  192 |     strncpy(output, input, strlen(input));
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:192:12: note: length computed here
  192 |     strncpy(output, input, strlen(input));
      |     ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dnwchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -MF CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o.d -o CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadCoordinates(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:228:72: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  228 |             if ((i>=natoms) || (molecule->GetAtom(i+1)->GetAtomicNum() != atoi(vs[2].c_str())))
      |                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadMultipoleMoment(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:306:17: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
  306 |         else if (vs[0][0] == '1')
      |                 ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadPartialCharges(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:423:56: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  423 |             if (molecule->GetAtom(i++)->GetAtomicNum() != charge)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadMEPCalculation(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:571:25: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  571 |     if (energies.size() != molecule->NumConformers())
      |         ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:932:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  932 |                 if (atoi(buffer) != natoms)
      |                     ~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:111:20: warning: ‘OpenBabel::BETA_ORBITAL_PATTERN’ defined but not used [-Wunused-variable]
  111 | static const char* BETA_ORBITAL_PATTERN = "Beta";
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::basic_istream<char, std::char_traits<char> >*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:957:21: warning: ‘nbeads’ may be used uninitialized [-Wmaybe-uninitialized]
  957 |                     if (bead_number != nbeads)
      |                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:900:18: note: ‘nbeads’ was declared here
  900 |     unsigned int nbeads;
      |                  ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘OpenBabel::NWChemOutputFormat::ReadSinglePointCalculation(std::basic_istream<char, std::char_traits<char> >*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:772:5: warning: ‘energy’ may be used uninitialized [-Wmaybe-uninitialized]
  772 |     if (energy == 0)
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:750:12: note: ‘energy’ was declared here
  750 |     double energy;
      |            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/APIInterface.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/APIInterface.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/APIInterface.so CMakeFiles/APIInterface.dir/APIInterface.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Built target APIInterface
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 19%] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsmilesformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o -MF CMakeFiles/smilesformat.dir/smilesformat.cpp.o.d -o CMakeFiles/smilesformat.dir/smilesformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In constructor ‘OpenBabel::OBSmilesParser::OBSmilesParser(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:291:10: warning: ‘OpenBabel::OBSmilesParser::_preserve_aromaticity’ will be initialized after [-Wreorder]
  291 |     bool _preserve_aromaticity;
      |          ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:289:9: warning:   ‘int OpenBabel::OBSmilesParser::_rxnrole’ [-Wreorder]
  289 |     int _rxnrole;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:318:5: warning:   when initialized here [-Wreorder]
  318 |     OBSmilesParser(bool preserve_aromaticity=false): _preserve_aromaticity(preserve_aromaticity), _rxnrole(1) { }
      |     ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBSmilesParser::ParseSmiles(OpenBabel::OBMol&, const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:655:15: warning: variable ‘atom’ set but not used [-Wunused-but-set-variable]
  655 |       OBAtom* atom;
      |               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘int OpenBabel::OBSmilesParser::NumConnections(OpenBabel::OBAtom*, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2200:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2200 |     if (idx-1 < _hcount.size() && _hcount[idx-1] > 0)
      |         ~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*>&, std::vector<unsigned int>&, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2685:10: warning: variable ‘symbol’ set but not used [-Wunused-but-set-variable]
 2685 |     char symbol[10];
      |          ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2689:10: warning: unused variable ‘normalValence’ [-Wunused-variable]
 2689 |     bool normalValence = true;
      |          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2690:10: warning: unused variable ‘writeExplicitHydrogen’ [-Wunused-variable]
 2690 |     bool writeExplicitHydrogen = false;
      |          ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::BuildCanonTree(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::vector<unsigned int>&, OpenBabel::OBCanSmiNode*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3139:22: warning: unused variable ‘bond_order’ [-Wunused-variable]
 3139 |         unsigned int bond_order = bond->GetBondOrder();
      |                      ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3134:20: warning: unused variable ‘nbr_bond_order’ [-Wunused-variable]
 3134 |       unsigned int nbr_bond_order = nbr_bond->GetBondOrder();
      |                    ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘std::vector<OpenBabel::OBBondClosureInfo> OpenBabel::OBMol2Cansmi::GetCanonClosureDigits(OpenBabel::OBAtom*, OpenBabel::OBBitVec&, std::vector<unsigned int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3286:11: warning: unused variable ‘bo’ [-Wunused-variable]
 3286 |       int bo = (bond1->IsAromatic())? 1 : bond1->GetBondOrder();  // CJ: why was this line added?  bo is never used?
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘void OpenBabel::OBMol2Cansmi::CreateFragCansmiString(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3899:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3899 |         for (int i=0; i<atom_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3905:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<unsigned int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3905 |         for (int i=0; i<canonical_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2865:35: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
 2865 |           snprintf(tcount, 10, "%d", hcount);
      |                                   ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2865:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2857:35: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
 2857 |           snprintf(tcount, 10, "%d", i);
      |                                   ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2857:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, OpenBabel::OBBitVec&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:32: warning: ‘%d’ directive output may be truncated writing between 1 and 11 bytes into a region of size 8 [-Wformat-truncation=]
 3531 |           snprintf(digits, 8, "%d", bci->ringdigit);
      |                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:31: note: directive argument in the range [-2147483648, 99]
 3531 |           snprintf(digits, 8, "%d", bci->ringdigit);
      |                               ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, OpenBabel::OBBitVec&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 12 bytes into a destination of size 8
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/gausscubeformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausscubeformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Built target gausscubeformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color="
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[ 45%] Linking CXX shared module ../../lib64/xsfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xsfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xsfformat.so CMakeFiles/xsfformat.dir/xsfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[ 32%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:478:37:   required from ‘double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = true]’
  478 |       i->template Compute<gradients>();
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:193:37:   required from here
  193 |       return gradients ? E_VDW<true>() : E_VDW<false>();
      |                          ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable ‘ab’ [-Wunused-variable]
  431 |       double ab[3];
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:478:37:   required from ‘double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = false]’
  478 |       i->template Compute<gradients>();
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:193:54:   required from here
  193 |       return gradients ? E_VDW<true>() : E_VDW<false>();
      |                                          ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable ‘ab’ [-Wunused-variable]
  431 |       double ab[3];
      |              ^~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationUFF &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   82 |   class OBFFElectrostaticCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘MEM[(const struct OBFFElectrostaticCalculationUFF &)&elecalc].rab’ was declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].energy’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9: warning: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   30 |   class OBFFBondCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].rab’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9: warning: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   30 |   class OBFFBondCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].delta’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].at’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].at’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM <unsigned char> [(struct OBFFAngleCalculationUFF *)&anglecalc + 156B]’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM <unsigned char> [(struct OBFFAngleCalculationUFF *)&anglecalc + 156B]’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].theta’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].delta’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rij’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rij’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rjk’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rjk’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rik’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rik’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘anglecalc.n’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘anglecalc.n’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp: In member function ‘void OpenBabel::OpConfab::Run(OpenBabel::OBConversion*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:167:14: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  167 |     for (; c < mol.NumConformers(); ++c) {
      |            ~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.h:15,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp: In member function ‘virtual bool OpenBabel::OpNewS::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:303:28: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  303 |     if(pmol->NumHvyAtoms() != nPatternAtoms)
      |        ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsiestaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o -MF CMakeFiles/siestaformat.dir/siestaformat.cpp.o.d -o CMakeFiles/siestaformat.dir/siestaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp: In member function ‘virtual bool OpenBabel::SIESTAFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:92:10: warning: variable ‘coordsAreAngstrom’ set but not used [-Wunused-but-set-variable]
   92 |     bool coordsAreAngstrom = false;
      |          ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:98:12: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
   98 |     size_t size;
      |            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:102:30: warning: unused variable ‘numSpecies’ [-Wunused-variable]
  102 |     int atomicNum, numAtoms, numSpecies;
      |                              ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgamessformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o -MF CMakeFiles/gamessformat.dir/gamessformat.cpp.o.d -o CMakeFiles/gamessformat.dir/gamessformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp: In member function ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:587:38: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  587 |             for (unsigned int i=0; i < modeCount;  ++i) {
      |                                    ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:233:9: warning: variable ‘ndummyatoms’ set but not used [-Wunused-but-set-variable]
  233 |     int ndummyatoms = 0;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:540:27: warning: ‘lowFreqModesBegin’ may be used uninitialized [-Wmaybe-uninitialized]
  540 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |                 ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:244:9: note: ‘lowFreqModesBegin’ was declared here
  244 |     int lowFreqModesBegin;           // the number of the first low frequency mode
      |         ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:540:60: warning: ‘lowFreqModesEnd’ may be used uninitialized [-Wmaybe-uninitialized]
  540 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |                                                  ~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:245:9: note: ‘lowFreqModesEnd’ was declared here
  245 |     int lowFreqModesEnd;             // the number of the last low frequency mode
      |         ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp: In member function ‘virtual bool OpenBabel::OpConformer::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:287:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  287 |             if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){
      |                 ~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:287:42: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  287 |             if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){
      |                                        ~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dalchemyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -MF CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o.d -o CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/alchemyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/alchemyformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 43%] Linking CXX shared module ../../lib64/qchemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/qchemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/qchemformat.so CMakeFiles/qchemformat.dir/qchemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 49%] Built target qchemformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/sort.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp:32:28: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   32 | struct Order : public std::binary_function<std::pair<OBBase*,T>, std::pair<OBBase*,T>, bool>
      |                            ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dacrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o -MF CMakeFiles/acrformat.dir/acrformat.cpp.o.d -o CMakeFiles/acrformat.dir/acrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp: In member function ‘OpenBabel::ACRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:166:12: warning: ‘atoms’ may be used uninitialized [-Wmaybe-uninitialized]
  166 |     } else if ( pmol->NumAtoms() != atoms ) {
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:95:18: note: ‘atoms’ was declared here
   95 |     unsigned int atoms, bonds, tmp;
      |                  ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:162:5: warning: ‘bonds’ may be used uninitialized [-Wmaybe-uninitialized]
  162 |     if ( pmol->NumBonds() != bonds ) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:95:25: note: ‘bonds’ was declared here
   95 |     unsigned int atoms, bonds, tmp;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DPQSformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o -MF CMakeFiles/PQSformat.dir/PQSformat.cpp.o.d -o CMakeFiles/PQSformat.dir/PQSformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp: In member function ‘OpenBabel::PQSFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:263:49: warning: ‘pFormat’ may be used uninitialized [-Wmaybe-uninitialized]
  263 |                     return pFormat->ReadMolecule(&mol,&coordconv);
      |                            ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:254:31: note: ‘pFormat’ was declared here
  254 |                     OBFormat* pFormat;
      |                               ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Damberformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o -MF CMakeFiles/amberformat.dir/amberformat.cpp.o.d -o CMakeFiles/amberformat.dir/amberformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/amberformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/amberformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/alchemyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/alchemyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 50%] Built target alchemyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 47%] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcacheformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o -MF CMakeFiles/cacheformat.dir/cacheformat.cpp.o.d -o CMakeFiles/cacheformat.dir/cacheformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacheformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacheformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbalstformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o -MF CMakeFiles/balstformat.dir/balstformat.cpp.o.d -o CMakeFiles/balstformat.dir/balstformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/balstformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/balstformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/acrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/acrformat.so CMakeFiles/acrformat.dir/acrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target acrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgaussformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o -MF CMakeFiles/gaussformat.dir/gaussformat.cpp.o.d -o CMakeFiles/gaussformat.dir/gaussformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/data.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp: In function ‘void OpenBabel::add_unique_pairdata_to_mol(OBMol*, std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:285:19: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  285 |     if (vs.size() >= start)
      |         ~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:288:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  288 |         for(i=start+1; (i<vs.size()); i++)
      |                         ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp: In function ‘int OpenBabel::extract_thermo(OBMol*, std::string, double, double, double, double, double, double, int, std::vector<double>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:339:17: warning: unused variable ‘pg’ [-Wunused-variable]
  339 |     const char *pg = obPG.IdentifyPointGroup();
      |                 ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 47%] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcccformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o -MF CMakeFiles/cccformat.dir/cccformat.cpp.o.d -o CMakeFiles/cccformat.dir/cccformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cccformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cccformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 46%] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dboxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o -MF CMakeFiles/boxformat.dir/boxformat.cpp.o.d -o CMakeFiles/boxformat.dir/boxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/boxformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/boxformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/amberformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/amberformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/amberformat.so CMakeFiles/amberformat.dir/amberformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target amberformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/PQSformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/PQSformat.so CMakeFiles/PQSformat.dir/PQSformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/siestaformat.so CMakeFiles/siestaformat.dir/siestaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
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[ 47%] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcarformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/carformat.dir/carformat.cpp.o -MF CMakeFiles/carformat.dir/carformat.cpp.o.d -o CMakeFiles/carformat.dir/carformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/carformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/carformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/balstformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/balstformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/balstformat.so CMakeFiles/balstformat.dir/balstformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Built target balstformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cccformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cccformat.so CMakeFiles/cccformat.dir/cccformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Built target cccformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 26%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2798:32: warning: variable ‘bondtype1’ set but not used [-Wunused-but-set-variable]
 2798 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2798:43: warning: variable ‘bondtype2’ set but not used [-Wunused-but-set-variable]
 2798 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:289:40:   required from here
  289 |         return gradients ? E_Bond<true>() : E_Bond<false>();
      |                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  148 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:289:58:   required from here
  289 |         return gradients ? E_Bond<true>() : E_Bond<false>();
      |                                             ~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  148 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:295:41:   required from here
  295 |         return gradients ? E_Angle<true>() : E_Angle<false>();
      |                            ~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  263 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:295:60:   required from here
  295 |         return gradients ? E_Angle<true>() : E_Angle<false>();
      |                                              ~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  263 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:301:42:   required from here
  301 |         return gradients ? E_StrBnd<true>() : E_StrBnd<false>();
      |                            ~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  376 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:301:62:   required from here
  301 |         return gradients ? E_StrBnd<true>() : E_StrBnd<false>();
      |                                               ~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  376 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:307:43:   required from here
  307 |         return gradients ? E_Torsion<true>() : E_Torsion<false>();
      |                            ~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  512 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:307:64:   required from here
  307 |         return gradients ? E_Torsion<true>() : E_Torsion<false>();
      |                                                ~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  512 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:313:39:   required from here
  313 |         return gradients ? E_OOP<true>() : E_OOP<false>();
      |                            ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  610 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:313:56:   required from here
  313 |         return gradients ? E_OOP<true>() : E_OOP<false>();
      |                                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  610 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:319:39:   required from here
  319 |         return gradients ? E_VDW<true>() : E_VDW<false>();
      |                            ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  707 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:319:56:   required from here
  319 |         return gradients ? E_VDW<true>() : E_VDW<false>();
      |                                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  707 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:325:49:   required from here
  325 |         return gradients ? E_Electrostatic<true>() : E_Electrostatic<false>();
      |                            ~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  793 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:325:76:   required from here
  325 |         return gradients ? E_Electrostatic<true>() : E_Electrostatic<false>();
      |                                                      ~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  793 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::PerceiveAromatic()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: ‘index’ may be used uninitialized [-Wmaybe-uninitialized]
 1451 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1388:12: note: ‘index’ was declared here
 1388 |     int n, index, ringsize, first_rj, prev_rj, pi_electrons, c60;
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: ‘first_rj’ may be used uninitialized [-Wmaybe-uninitialized]
 1451 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1388:29: note: ‘first_rj’ was declared here
 1388 |     int n, index, ringsize, first_rj, prev_rj, pi_electrons, c60;
      |                             ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:44:
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2765:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2765:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2775:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2775:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].theta’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].delta’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel:make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 46%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcacaoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -MF CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o.d -o CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacaoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
:OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].energy’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&strbndcalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_theta’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_theta’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rab’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rab’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rbc’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rbc’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].theta’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rab’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rbc’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rbc’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_ab_a’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_ab_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_bc_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_bc_c’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationMMFF94::OBFFVDWCalculationMMFF94(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:78:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationMMFF94>::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFVDWCalculationMMFF94>&, OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94, std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::push_back(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3609:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3485:30: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
 3485 |     OBFFVDWCalculationMMFF94 vdwcalc;
      |                              ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationMMFF94::OBFFVDWCalculationMMFF94(OpenBabel::OBFFVDWCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationMMFF94>::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFVDWCalculationMMFF94>&, OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94, std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::push_back(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3609:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:78:9: warning: ‘MEM[(const struct OBFFVDWCalculationMMFF94 &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   78 |   class OBFFVDWCalculationMMFF94 : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3485:30: note: ‘MEM[(const struct OBFFVDWCalculationMMFF94 &)&vdwcalc].rab’ was declared here
 3485 |     OBFFVDWCalculationMMFF94 vdwcalc;
      |                              ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationMMFF94::OBFFElectrostaticCalculationMMFF94(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:89:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>&, OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94, std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::push_back(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3671:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3618:40: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 3618 |     OBFFElectrostaticCalculationMMFF94 elecalc;
      |                                        ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationMMFF94::OBFFElectrostaticCalculationMMFF94(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>&, OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94, std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::push_back(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3671:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:89:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationMMFF94 &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   89 |   class OBFFElectrostaticCalculationMMFF94 : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3618:40: note: ‘MEM[(const struct OBFFElectrostaticCalculationMMFF94 &)&elecalc].rab’ was declared here
 3618 |     OBFFElectrostaticCalculationMMFF94 elecalc;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4329:13: warning: ‘etot’ may be used uninitialized [-Wmaybe-uninitialized]
 4329 |       delta = (Energy() - etot);
      |       ~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:12: note: ‘etot’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |            ^~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4301:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘ebond’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:18: note: ‘ebond’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                  ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4305:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eangle’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:25: note: ‘eangle’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                         ^~~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4313:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eoop’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:33: note: ‘eoop’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                 ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4309:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘estbn’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:39: note: ‘estbn’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                       ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4317:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘etor’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:46: note: ‘etor’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                              ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4321:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘evdw’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:52: note: ‘evdw’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                                    ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4325:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eeq’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:58: note: ‘eeq’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                                          ^~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacaoformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 49%] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdrawct_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -MF CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o.d -o CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawct.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawct.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 46%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbgfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o -MF CMakeFiles/bgfformat.dir/bgfformat.cpp.o.d -o CMakeFiles/bgfformat.dir/bgfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/bgfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/bgfformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 49%] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchem3dformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -MF CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o.d -o CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/mopacformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mopacformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mopacformat.so CMakeFiles/mopacformat.dir/mopacformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/boxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/boxformat.so CMakeFiles/boxformat.dir/boxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Built target mopacformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Built target boxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/carformat.so CMakeFiles/carformat.dir/carformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[ 42%] Linking CXX shared module ../../lib64/mdlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Built target carformat
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/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
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/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -MF CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o.d -o CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemtoolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemtoolformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Linking CXX shared module ../../lib64/chemdrawct.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawct.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Built target chemdrawct
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Linking CXX shared module ../../lib64/cacaoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacaoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cacaoformat.so CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Built target cacaoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[ 52%] Linking CXX shared module ../../lib64/chem3dformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chem3dformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Built target chem3dformat
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/bgfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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[ 45%] Linking CXX shared module ../../lib64/nwchemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nwchemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/nwchemformat.so CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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[ 53%] Built target nwchemformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/chemtoolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemtoolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Built target chemtoolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcssrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o -MF CMakeFiles/cssrformat.dir/cssrformat.cpp.o.d -o CMakeFiles/cssrformat.dir/cssrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cssrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cssrformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dvaspformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o -MF CMakeFiles/vaspformat.dir/vaspformat.cpp.o.d -o CMakeFiles/vaspformat.dir/vaspformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:451:17: warning: unused variable ‘freqnum’ [-Wunused-variable]
  451 |             int freqnum = atoi(vs[0].c_str());
      |                 ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:535:35: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = not_equal_to<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  535 |                       std::bind2nd(std::not_equal_to<double>(), 0.0));
      |                       ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:589:36: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = divides<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  589 |                        std::bind2nd(std::divides<double>(), max / 100.0));
      |                        ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘virtual bool OpenBabel::VASPFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:668:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBAtom*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  668 |     for(int i = 0; i < atoms_sorted.size(); i++)
      |                    ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:410:21: warning: ‘fermi’ may be used uninitialized [-Wmaybe-uninitialized]
  410 |         dos->SetData(fermi, energies, densities, integration);
      |         ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:392:14: note: ‘fermi’ was declared here
  392 |       double fermi;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:556:14: warning: ‘enthalpy_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  556 |       double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:171:12: note: ‘enthalpy_eV’ was declared here
  171 |     double enthalpy_eV, pv_eV;
      |            ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:557:14: warning: ‘pv_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  557 |       double pv_kcal_per_mole = pv_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:171:25: note: ‘pv_eV’ was declared here
  171 |     double enthalpy_eV, pv_eV;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcrkformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o -MF CMakeFiles/crkformat.dir/crkformat.cpp.o.d -o CMakeFiles/crkformat.dir/crkformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crkformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crkformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dorcaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o -MF CMakeFiles/orcaformat.dir/orcaformat.cpp.o.d -o CMakeFiles/orcaformat.dir/orcaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp: In member function ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:348:33: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  348 |                 while(vs.size() == nColumn+1) {
      |                       ~~~~~~~~~~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:363:48: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  363 |                     for (unsigned int i = 0; i < nColumn; i++) {
      |                                              ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:375:44: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  375 |                 for (unsigned int i = 0; i < nColumn; i++) {
      |                                          ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:131:12: warning: unused variable ‘energy’ [-Wunused-variable]
  131 |     double energy=0;
      |            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:138:9: warning: variable ‘nModeAll’ set but not used [-Wunused-but-set-variable]
  138 |     int nModeAll = 0;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:149:13: warning: ‘confCoords’ may be used uninitialized [-Wmaybe-uninitialized]
  149 |     double* confCoords;
      |             ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:220:36: warning: ‘atom’ may be used uninitialized [-Wmaybe-uninitialized]
  220 |                     atom->SetVector(x,y,z); //set atom coordinates
      |                     ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:162:13: note: ‘atom’ was declared here
  162 |     OBAtom *atom;
      |             ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfhformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o -MF CMakeFiles/fhformat.dir/fhformat.cpp.o.d -o CMakeFiles/fhformat.dir/fhformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfeatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/featformat.dir/featformat.cpp.o -MF CMakeFiles/featformat.dir/featformat.cpp.o.d -o CMakeFiles/featformat.dir/featformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/featformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/featformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/cssrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cssrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Built target cssrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/smilesformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smilesformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Built target smilesformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgamessukformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -MF CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o.d -o CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadInitialCartesian(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:787:10: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  787 |     bool ok=false;
      |          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz1(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:853:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  853 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz2(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:900:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  900 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘virtual bool OpenBabel::GAMESSUKOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:1215:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
 1215 |       bool ok;
      |            ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Linking CXX shared module ../../lib64/fhformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fhformat.so CMakeFiles/fhformat.dir/fhformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Built target fhformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Linking CXX shared module ../../lib64/featformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/featformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/featformat.so CMakeFiles/featformat.dir/featformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Built target featformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -MF CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o.d -o CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfastaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o -MF CMakeFiles/fastaformat.dir/fastaformat.cpp.o.d -o CMakeFiles/fastaformat.dir/fastaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp: In function ‘void OpenBabel::add_residue(OBMol*, OBResidue*, double, double, long unsigned int&, ResidueRecord*, int, OBAtom*&, bool, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp:394:33: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  394 |             else if (atom_count > resBondFromOffset)
      |                      ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfpsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o -MF CMakeFiles/fpsformat.dir/fpsformat.cpp.o.d -o CMakeFiles/fpsformat.dir/fpsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp: In member function ‘virtual bool OpenBabel::FPSFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:152:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  152 |   for(unsigned i=0;i<(_nbits+31)/32;++i)
      |                    ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp: In member function ‘std::string OpenBabel::FPSFormat::getTimeStr()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:175:10: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
  175 |   size_t time_res;                             /* Result of strftime                */
      |          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/crkformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crkformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/crkformat.so CMakeFiles/crkformat.dir/crkformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Built target crkformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcofformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o -MF CMakeFiles/cofformat.dir/cofformat.cpp.o.d -o CMakeFiles/cofformat.dir/cofformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp: In member function ‘virtual bool OpenBabel::COFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:133:22: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  133 |         if(vs.size() < offset+9)
      |            ~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:180:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  180 |           for(int j=0 ; j< natoms ; j++)
      |                         ~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp: In member function ‘virtual bool OpenBabel::COFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:368:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  368 |       for( int j=0; j<elems.size(); j++)
      |                     ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:410:9: warning: unused variable ‘nbonds’ [-Wunused-variable]
  410 |     int nbonds = mol.NumBonds();
      |         ^~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfreefracformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o -MF CMakeFiles/freefracformat.dir/freefracformat.cpp.o.d -o CMakeFiles/freefracformat.dir/freefracformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/freefracformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/freefracformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[ 48%] Linking CXX shared module ../../lib64/gamessformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gamessformat.so CMakeFiles/gamessformat.dir/gamessformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color="
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_ops.so CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp: In member function ‘virtual bool OpenBabel::EXYZFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp:124:19: warning: variable ‘virtualAtoms’ set but not used [-Wunused-but-set-variable]
  124 |     bool unitCell,virtualAtoms;
      |                   ^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Linking CXX shared module ../../lib64/freefracformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/freefracformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/freefracformat.so CMakeFiles/freefracformat.dir/freefracformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 57%] Built target freefracformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dghemicalformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -MF CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o.d -o CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/ghemicalformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/ghemicalformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Linking CXX shared module ../../lib64/fingerprintformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fingerprintformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fingerprintformat.so CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fpsformat.so CMakeFiles/fpsformat.dir/fpsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -MF CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o.d -o CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp: In member function ‘void OpenBabel::FastSearchFormat::AddPattern(std::vector<OpenBabel::OBMol>&, OpenBabel::OBMol, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:690:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  690 |     if(idx>=patternMol.NumBonds())
      |        ~~~^~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMCDLformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -MF CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o.d -o CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘void OpenBabel::MCDLFormat::solve(int, int (*)[4], int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:283:9: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  283 |         if (jflag)
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:287:13: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  287 |             nt = 1;
      |             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘void OpenBabel::MCDLFormat::setMCDL(std::string, OpenBabel::OBMol*, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1267:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1267 |     if (nPrev == acount) {
      |         ~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘int OpenBabel::MCDLFormat::indexOf(std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1385:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1385 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1386:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1386 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘int OpenBabel::MCDLFormat::lastIndexOf(std::string, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1399:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1399 |     if (n == string::npos)
      |         ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘OpenBabel::MCDLFormat::solve(int, int (*) [4], int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:390:24: warning: ‘numdups’ may be used uninitialized [-Wmaybe-uninitialized]
  390 |             for (j=0; j<numdups; j++)
      |                       ~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:10: note: ‘numdups’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |          ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:398:17: warning: ‘dupfrag’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |                 if (ix[i] > dupfrag)
      |                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:19: note: ‘dupfrag’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |                   ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:403:35: warning: ‘jump’ may be used uninitialized [-Wmaybe-uninitialized]
  403 |                     ix[i] = mx[i] + jump + 1;
      |                             ~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:28: note: ‘jump’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |                            ^~~~
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgromos96format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o -MF CMakeFiles/gromos96format.dir/gromos96format.cpp.o.d -o CMakeFiles/gromos96format.dir/gromos96format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp:54:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp: In member function ‘OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp:144:20: warning: ‘strncpy’ specified bound 16 equals destination size [-Wstringop-truncation]
  144 |             strncpy(type_name,OBElements::GetSymbol(atom->GetAtomicNum()), 16);
      |                    ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/ghemicalformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/ghemicalformat.so CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Built target ghemicalformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddlpolyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -MF CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o.d -o CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp: In member function ‘bool OpenBabel::DlpolyInputReader::ParseUnitCell(std::istream&, OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp:152:10: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  152 |     bool ok;
      |          ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Linking CXX shared module ../../lib64/cofformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cofformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cofformat.so CMakeFiles/cofformat.dir/cofformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Built target cofformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/gromos96format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Built target gromos96format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[ 52%] Linking CXX shared module ../lib64/plugin_forcefields.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_forcefields.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_forcefields.so CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Built target plugin_forcefields
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Linking CXX shared module ../../lib64/gamessukformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessukformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Built target gamessukformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmpdformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o -MF CMakeFiles/mpdformat.dir/mpdformat.cpp.o.d -o CMakeFiles/mpdformat.dir/mpdformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp: In member function ‘virtual bool OpenBabel::MPDFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp:210:42: warning: variable ‘idx_true’ set but not used [-Wunused-but-set-variable]
  210 |     bool xml_true=false, pre_true=false, idx_true=false;
      |                                          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmpqcformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -MF CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o.d -o CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpqcformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpqcformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/orcaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/orcaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Built target orcaformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmsmsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o -MF CMakeFiles/msmsformat.dir/msmsformat.cpp.o.d -o CMakeFiles/msmsformat.dir/msmsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/vaspformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Built target vaspformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/gaussformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaussformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gaussformat.so CMakeFiles/gaussformat.dir/gaussformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 57%] Linking CXX shared module ../../lib64/exyzformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/exyzformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/exyzformat.so CMakeFiles/exyzformat.dir/exyzformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Built target gaussformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Built target exyzformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 56%] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmmodformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o -MF CMakeFiles/mmodformat.dir/mmodformat.cpp.o.d -o CMakeFiles/mmodformat.dir/mmodformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmodformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmodformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -MF CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o.d -o CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pcmodelformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pcmodelformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Doutformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/outformat.dir/outformat.cpp.o -MF CMakeFiles/outformat.dir/outformat.cpp.o.d -o CMakeFiles/outformat.dir/outformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/outformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/outformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmsiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o -MF CMakeFiles/msiformat.dir/msiformat.cpp.o.d -o CMakeFiles/msiformat.dir/msiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp: In member function ‘virtual bool OpenBabel::MSIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:77:17: warning: unused variable ‘title’ [-Wunused-variable]
   77 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:193:28: warning: ‘atom’ may be used uninitialized [-Wmaybe-uninitialized]
  193 |             atom->SetVector(atof(vs[3].c_str()),
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
  194 |                             atof(vs[4].c_str()),
      |                             ~~~~~~~~~~~~~~~~~~~~
  195 |                             atof(vs[5].c_str()));
      |                             ~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:109:13: note: ‘atom’ was declared here
  109 |     OBAtom *atom;
      |             ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Linking CXX shared module ../../lib64/mpqcformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpqcformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mpqcformat.so CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Built target mpqcformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Linking CXX shared module ../../lib64/msmsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msmsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/msmsformat.so CMakeFiles/msmsformat.dir/msmsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 60%] Built target msmsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/mpdformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpdformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -MF CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o.d -o CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp: In member function ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:226:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  226 |     for( int j = 0; j < radius_mult_list.size(); j++ ) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 60%] Built target mpdformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/fastsearchformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastsearchformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fastsearchformat.so CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 60%] Built target fastsearchformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgroformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/groformat.dir/groformat.cpp.o -MF CMakeFiles/groformat.dir/groformat.cpp.o.d -o CMakeFiles/groformat.dir/groformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp: In member function ‘OpenBabel::GROFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:278:19: warning: ‘res’ may be used uninitialized [-Wmaybe-uninitialized]
  278 |       res->AddAtom(atom);
      |       ~~~~~~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:171:14: note: ‘res’ was declared here
  171 |   OBResidue* res;
      |              ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dopendxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o -MF CMakeFiles/opendxformat.dir/opendxformat.cpp.o.d -o CMakeFiles/opendxformat.dir/opendxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Linking CXX shared module ../../lib64/msiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/msiformat.so CMakeFiles/msiformat.dir/msiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target msiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Linking CXX shared module ../../lib64/mmodformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmodformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[ 59%] Linking CXX shared module ../../lib64/pcmodelformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target mmodformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Linking CXX shared module ../../lib64/outformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/outformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/outformat.so CMakeFiles/outformat.dir/outformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target pcmodelformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target outformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dposformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/posformat.dir/posformat.cpp.o -MF CMakeFiles/posformat.dir/posformat.cpp.o.d -o CMakeFiles/posformat.dir/posformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/posformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/posformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -MF CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o.d -o CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp: In member function ‘virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:277:20: warning: unused variable ‘length’ [-Wunused-variable]
  277 |             double length=cmax-cmin;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:367:25: warning: unused variable ‘atomid’ [-Wunused-variable]
  367 |                     int atomid=5;
      |                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:368:28: warning: unused variable ‘charge’ [-Wunused-variable]
  368 |                     double charge=0.5;
      |                            ^~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dshelxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o -MF CMakeFiles/shelxformat.dir/shelxformat.cpp.o.d -o CMakeFiles/shelxformat.dir/shelxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 60%] Linking CXX shared module ../../lib64/pointcloudformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pointcloudformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pointcloudformat.so CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 64%] Built target pointcloudformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dstlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o -MF CMakeFiles/stlformat.dir/stlformat.cpp.o.d -o CMakeFiles/stlformat.dir/stlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp: In function ‘void OpenBabel::map_sphere(std::vector<Triangle>&, vector3, double, uint16_t)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:157:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::vector3>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  157 |     for( int i=0 ; i < points.size()-2; i++ ) {
      |                    ~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dviewmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -MF CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o.d -o CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/viewmolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/viewmolformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 56%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmoldenformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o -MF CMakeFiles/moldenformat.dir/moldenformat.cpp.o.d -o CMakeFiles/moldenformat.dir/moldenformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dunichemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o -MF CMakeFiles/unichemformat.dir/unichemformat.cpp.o.d -o CMakeFiles/unichemformat.dir/unichemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/unichemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/unichemformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 60%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o -MF CMakeFiles/wlnformat.dir/wlnformat.cpp.o.d -o CMakeFiles/wlnformat.dir/wlnformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp: In member function ‘virtual bool OpenBabel::WLNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp:138:17: warning: unused variable ‘title’ [-Wunused-variable]
  138 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/opendxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dlpmdformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -MF CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o.d -o CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp: In member function ‘virtual bool OpenBabel::LpmdFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:196:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  196 |   if(int(headers.size()-1)!=tokens.size())
      |      ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:210:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  210 |   for(int i=1 ; i < headers.size() ; ++i) //the first element is HDR
      |                 ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:11: warning: unused variable ‘FX’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:32: warning: unused variable ‘FY’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:53: warning: unused variable ‘FZ’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp: In member function ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:366:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  366 |   for(int i=0; i < mol.NumAtoms() ; ++i)
      |                ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:382:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  382 |  for(int i=0;i<mol.NumAtoms();++i)
      |              ~^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Built target opendxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/dlpolyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dlpolyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/dlpolyformat.so CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/posformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/posformat.so CMakeFiles/posformat.dir/posformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Built target dlpolyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Built target posformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 64%] Linking CXX shared module ../../lib64/shelxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/shelxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Built target shelxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 60%] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxedformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o -MF CMakeFiles/xedformat.dir/xedformat.cpp.o.d -o CMakeFiles/xedformat.dir/xedformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xedformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xedformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/MCDLformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MCDLformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/MCDLformat.so CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Built target MCDLformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtinkerformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -MF CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o.d -o CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp: In function ‘int OpenBabel::SetMM3Type(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:415:11: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  415 |           if (b->GetHyb() == 2) // S=C
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:416:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  416 |             countNeighborC++; break;
      |                               ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Linking CXX shared module ../../lib64/unichemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/unichemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/unichemformat.so CMakeFiles/unichemformat.dir/unichemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Built target unichemformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 64%] Linking CXX shared module ../../lib64/stlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/stlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/stlformat.so CMakeFiles/stlformat.dir/stlformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dthermoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o -MF CMakeFiles/thermoformat.dir/thermoformat.cpp.o.d -o CMakeFiles/thermoformat.dir/thermoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Built target stlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 64%] Linking CXX shared module ../../lib64/viewmolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/viewmolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/viewmolformat.so CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 68%] Built target viewmolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpqrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o -MF CMakeFiles/pqrformat.dir/pqrformat.cpp.o.d -o CMakeFiles/pqrformat.dir/pqrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In function ‘double OpenBabel::parseAtomCharge(char*, OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:207:13: warning: unused variable ‘atom’ [-Wunused-variable]
  207 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In function ‘double OpenBabel::parseAtomRadius(char*, OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:222:13: warning: unused variable ‘atom’ [-Wunused-variable]
  222 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In member function ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:511:58: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  511 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:511:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In member function ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:528:66: warning: ‘%-3s’ directive output may be truncated writing between 3 and 15 bytes into a region of size 9 [-Wformat-truncation=]
  528 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                  ^~~~   ~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:528:29:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 17 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmdffformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o -MF CMakeFiles/mdffformat.dir/mdffformat.cpp.o.d -o CMakeFiles/mdffformat.dir/mdffformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘virtual bool OpenBabel::MDFFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:249:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::atm_t_prop>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  249 |             for(int i = 0; i < atom_t_prop.size(); i++)
      |                            ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:270:33: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  270 |       for(unsigned int j = 0; j < atom_t_prop[i].num_of_atoms; j++)
      |                               ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘bool OpenBabel::aindx::operator<(const OpenBabel::aindx&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:329:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  329 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:388:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  388 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:443:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  443 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:450:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  450 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:500:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  500 |       for(int j = 0; j < atypes_def.size(); j++)
      |                      ~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/groformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/groformat.so CMakeFiles/groformat.dir/groformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Built target groformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmmcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -MF CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o.d -o CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmcifformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmcifformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/xedformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xedformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xedformat.so CMakeFiles/xedformat.dir/xedformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Built target xedformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o -MF CMakeFiles/cifformat.dir/cifformat.cpp.o.d -o CMakeFiles/cifformat.dir/cifformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp: In member function ‘void OpenBabel::CIFData::CalcMatrices()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:11: warning: variable ‘aa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:14: warning: variable ‘bb’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:27: warning: variable ‘betaa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:33: warning: variable ‘gammaa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                                 ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp: In member function ‘virtual bool OpenBabel::CIFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:1693:15: warning: label ‘std’ defined but not used [-Wunused-label]
 1693 |               std:vector<int> uc;
      |               ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o -MF CMakeFiles/xyzformat.dir/xyzformat.cpp.o.d -o CMakeFiles/xyzformat.dir/xyzformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xyzformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xyzformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -MF CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o.d -o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/cairopainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dyasaraformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -MF CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o.d -o CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In function ‘OpenBabel::mobatom* OpenBabel::mob_next(mobatom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:45:33: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing]
   45 | #define mem_inc(POINTER,INC) (*((char**)&(POINTER))+=(INC))
      |                                ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:227:3: note: in expansion of macro ‘mem_inc’
  227 | { mem_inc(atom,mob_atomsize(atom));
      |   ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In member function ‘virtual bool OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:374:21: warning: variable ‘reslen’ set but not used [-Wunused-but-set-variable]
  374 |   int /*samenames,*/reslen,charged;
      |                     ^~~~~~
In file included from /usr/include/string.h:548,
                 from /usr/include/c++/15/cstring:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:29:
In function ‘memcpy’,
    inlined from ‘OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:440:82:
/usr/include/bits/string_fortified.h:29:33: warning: ‘memcpy’ accessing 4 bytes at offsets 0 and 1 overlaps 3 bytes at offset 1 [-Wrestrict]
   29 |   return __builtin___memcpy_chk (__dest, __src, __len,
      |          ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
   30 |                                  __glibc_objsize0 (__dest));
      |                                  ~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In member function ‘OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:572:36: warning: ‘__snprintf_chk’ output truncated before the last format character [-Wformat-truncation=]
  572 |       snprintf(&buffer[12], 4, "%4d",res->GetNum()); }
      |                                    ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:572:15:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 12 bytes into a destination of size 4
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In function ‘OpenBabel::mob_getid(OpenBabel::atomid*, OpenBabel::mobatom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:245:26: warning: array subscript 4 is above array bounds of ‘int32[4]’ [-Warray-bounds=]
  245 |   { inscodealtloc=int32le(atom->link[idpos++]);
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:192:9: note: while referencing ‘link’
  192 |   int32 link[4]; };
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:253:60: warning: array subscript 4 is above array bounds of ‘int32[4]’ [-Warray-bounds=]
  253 |   if (flags&MOB_SEGMENTFLAG) id->segment=atom->link[idpos++];
      |                                          ~~~~~~~~~~~~~~~~~~^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:192:9: note: while referencing ‘link’
  192 |   int32 link[4]; };
      |         ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/tinkerformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Built target tinkerformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drxnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o -MF CMakeFiles/rxnformat.dir/rxnformat.cpp.o.d -o CMakeFiles/rxnformat.dir/rxnformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp: In member function ‘virtual bool OpenBabel::RXNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:196:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  196 |       for (int i=0; i<num_components; i++)
      |                     ~^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 63%] Linking CXX shared module ../../lib64/lmpdatformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/lmpdatformat.so CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Built target lmpdatformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/thermoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/thermoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/thermoformat.so CMakeFiles/thermoformat.dir/thermoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -MF CMakeFiles/pubchem.dir/xml/pubchem.cpp.o.d -o CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/pubchem.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/pubchem.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Built target thermoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 65%] Linking CXX shared module ../../lib64/moldenformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldenformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/moldenformat.so CMakeFiles/moldenformat.dir/moldenformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Built target moldenformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obconformer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/build
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 69%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xmlformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obenergy.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/yasaraformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/yasaraformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/yasaraformat.so CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -MF CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o.d -o CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Built target yasaraformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obfit.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/xyzformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xyzformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Built target xyzformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 60%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -MF CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o.d -o CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wln-nextmove.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cdxmlformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cdxmlformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/rxnformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rxnformat.so CMakeFiles/rxnformat.dir/rxnformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obfitall.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obgen.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/build
/usr/bin/make  -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Built target rxnformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obminimize.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 68%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o -MF CMakeFiles/pubchem.dir/xml/xml.cpp.o.d -o CMakeFiles/pubchem.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obmm.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drsmiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -MF CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o.d -o CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 68%] Linking CXX shared module ../../lib64/pqrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pqrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pqrformat.so CMakeFiles/pqrformat.dir/pqrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 73%] Built target pqrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obprobe.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/png2format.dir/png2format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/png2format.cpp.o -MF CMakeFiles/png2format.dir/png2format.cpp.o.d -o CMakeFiles/png2format.dir/png2format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp: In member function ‘virtual bool OpenBabel::PNG2Format::WriteChemObject(OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:105:42: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  105 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:135:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  135 |       pConv->SetLast(n==_objects.size());
      |                      ~^~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Linking CXX shared module ../../lib64/lpmdformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lpmdformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/lpmdformat.so CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 73%] Built target lpmdformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obprop.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpdbqtformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -MF CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o.d -o CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘bool OpenBabel::OutputTree(OBConversion*, OBMol&, std::ostream&, std::map<unsigned int, branch>&, unsigned int, bool, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:581:20: warning: unused variable ‘child’ [-Wunused-variable]
  581 |       unsigned int child=i;
      |                    ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘bool OpenBabel::Separate_preserve_charges(OBMol&, std::vector<OBMol>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:797:9: warning: unused variable ‘fragments’ [-Wunused-variable]
  797 |     int fragments = 0;
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:750:16: warning: ‘unsigned int OpenBabel::AtomsSoFar(const std::map<unsigned int, branch>&, unsigned int)’ defined but not used [-Wunused-function]
  750 |   unsigned int AtomsSoFar(const map <unsigned int, branch> & tree, unsigned int depth)
      |                ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:345:52: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  345 |       snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                    ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:345:15:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:363:60: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  363 |           snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                            ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:363:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In member function ‘OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:923:22: warning: ‘strncpy’ specified bound 10 equals destination size [-Wstringop-truncation]
  923 |               strncpy(type_name, OBElements::GetSymbol(rotBondTable[rotBondId][bondAtomNum]->GetAtomicNum()), sizeof(type_name));
      |                      ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsmileyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o -MF CMakeFiles/smileyformat.dir/smileyformat.cpp.o.d -o CMakeFiles/smileyformat.dir/smileyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp: In member function ‘void OpenBabel::OpenBabelCallback::setChiral(int, Smiley::Chirality, const std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘NotChiral’ not handled in switch [-Wswitch]
  158 |       switch (chirality) {
      |              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TH1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TH2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘AL1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘AL2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB4’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB5’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB6’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB7’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB8’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB9’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB10’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB11’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB12’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB13’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB14’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB15’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB16’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB17’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB18’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB19’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB20’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH4’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH5’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH6’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH7’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH8’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH9’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH10’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH11’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH12’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH13’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH14’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH15’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH16’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH17’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH18’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH19’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH20’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH21’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH22’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH23’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH24’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH25’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH26’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH27’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH28’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH29’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH30’ not handled in switch [-Wswitch]
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h: In instantiation of ‘void Smiley::Parser<Callback>::processStereochemistry() [with Callback = OpenBabel::OpenBabelCallback]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2707:9:   required from ‘void Smiley::Parser<Callback>::parse(const std::string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]’
 2707 |         processStereochemistry();
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:370:19:   required from here
  370 |       parser.parse(smiles);
      |       ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2642:43: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2642 |           if (m_chiralInfo[i].nbrs.size() != expectedValence && m_exceptions & InvalidChiralValence)
      |               ~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h: In instantiation of ‘Smiley::Parser<Callback>::RingBondInfo::RingBondInfo(int, int, bool, bool, bool, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2409:41:   required from ‘void Smiley::Parser<Callback>::processRingBond(int, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]’
 2409 |           m_ringBonds[m_prev].push_back(RingBondInfo(rnum, m_bondOrder, m_isUp, m_isDown, m_explicitBond, pos));
      |                                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2429:11:   required from ‘void Smiley::Parser<Callback>::parseRingBond() [with Callback = OpenBabel::OpenBabelCallback]’
 2429 |           processRingBond(m_str[m_pos] - '0', m_pos);
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2507:13:   required from ‘void Smiley::Parser<Callback>::parseChain() [with Callback = OpenBabel::OpenBabelCallback]’
 2507 |             parseRingBond();
      |             ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2698:9:   required from ‘void Smiley::Parser<Callback>::parse(const std::string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]’
 2698 |         parseChain();
      |         ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:370:19:   required from here
  370 |       parser.parse(smiles);
      |       ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:986:14: warning: ‘Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::isExplicit’ will be initialized after [-Wreorder]
  986 |         bool isExplicit;
      |              ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:981:21: warning:   ‘std::size_t Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::pos’ [-Wreorder]
  981 |         std::size_t pos;
      |                     ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:974:9: warning:   when initialized here [-Wreorder]
  974 |         RingBondInfo(int number_, int order_, bool isUp_, bool isDown_,
      |         ^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obrotamer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obenergy.dir/obenergy.cpp.o -MF CMakeFiles/obenergy.dir/obenergy.cpp.o.d -o CMakeFiles/obenergy.dir/obenergy.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Building CXX object tools/CMakeFiles/obabel.dir/obabel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obabel.dir/obabel.cpp.o -MF CMakeFiles/obabel.dir/obabel.cpp.o.d -o CMakeFiles/obabel.dir/obabel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/mdffformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdffformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mdffformat.so CMakeFiles/mdffformat.dir/mdffformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 76%] Built target mdffformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obrotate.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obconformer.dir/obconformer.cpp.o -MF CMakeFiles/obconformer.dir/obconformer.cpp.o.d -o CMakeFiles/obconformer.dir/obconformer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obconformer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obconformer.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Linking CXX shared module ../../lib64/rinchiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rinchiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rinchiformat.so CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 76%] Built target rinchiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obsym.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 72%] Linking CXX shared module ../../lib64/pubchem.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchem.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pubchem.so CMakeFiles/pubchem.dir/xml/pubchem.cpp.o CMakeFiles/pubchem.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 77%] Built target pubchem
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Building CXX object tools/CMakeFiles/obgen.dir/obgen.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obgen.dir/obgen.cpp.o -MF CMakeFiles/obgen.dir/obgen.cpp.o.d -o CMakeFiles/obgen.dir/obgen.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp:30:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 73%] Linking CXX shared module ../../lib64/png2format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/png2format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/png2format.so CMakeFiles/png2format.dir/png2format.cpp.o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 77%] Built target png2format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obminimize.dir/obminimize.cpp.o -MF CMakeFiles/obminimize.dir/obminimize.cpp.o.d -o CMakeFiles/obminimize.dir/obminimize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 75%] Linking CXX executable ../bin/obenergy
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obenergy.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obenergy.dir/obenergy.cpp.o -o ../bin/obenergy  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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[ 70%] Linking CXX shared module ../../lib64/mmcifformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmcifformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mmcifformat.so CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obthermo.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obconformer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obconformer.dir/obconformer.cpp.o -o ../bin/obconformer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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[ 72%] Linking CXX shared module ../../lib64/cdxmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cdxmlformat.so CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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[ 78%] Built target obconformer
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[ 35%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.h:29:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.h:29:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 78%] Building CXX object test/CMakeFiles/test_runner.dir/test_runner.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/test_runner.cpp.o -MF CMakeFiles/test_runner.dir/test_runner.cpp.o.d -o CMakeFiles/test_runner.dir/test_runner.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/test_runner.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 63%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdrawcdx_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -MF CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o.d -o CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoReaction(OpenBabel::CDXReader&, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:338:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  338 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each reactant id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:352:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  352 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each product id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoFragment(OpenBabel::CDXReader&, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:449:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  449 |   for(int idx=1; idx<=pmol->NumAtoms();++idx)
      |                  ~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoFragmentImpl(OpenBabel::CDXReader&, OpenBabel::OBMol*, std::map<int, unsigned int>&, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:477:27: warning: variable ‘hasElement’ set but not used [-Wunused-but-set-variable]
  477 |       bool isAlias=false, hasElement=false;
      |                           ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:621:17: warning: ‘bgnIdx’ may be used uninitialized [-Wmaybe-uninitialized]
  621 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:580:20: note: ‘bgnIdx’ was declared here
  580 |       int order=1, bgnIdx, endIdx ;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:621:28: warning: ‘endIdx’ may be used uninitialized [-Wmaybe-uninitialized]
  621 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:580:28: note: ‘endIdx’ was declared here
  580 |       int order=1, bgnIdx, endIdx ;
      |                            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 76%] Linking CXX executable ../bin/obabel
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obabel.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obabel.dir/obabel.cpp.o -o ../bin/obabel  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Building CXX object tools/CMakeFiles/obfit.dir/obfit.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obfit.dir/obfit.cpp.o -MF CMakeFiles/obfit.dir/obfit.cpp.o.d -o CMakeFiles/obfit.dir/obfit.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp:37:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp:35:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 80%] Built target obabel
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 74%] Linking CXX shared module ../../lib64/xmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xmlformat.so CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o CMakeFiles/xmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 72%] Building CXX object tools/CMakeFiles/obmm.dir/obmm.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obmm.dir/obmm.cpp.o -MF CMakeFiles/obmm.dir/obmm.cpp.o.d -o CMakeFiles/obmm.dir/obmm.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp:58:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp:54:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 77%] Linking CXX executable ../bin/obgen
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgen.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obgen.dir/obgen.cpp.o -o ../bin/obgen  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 80%] Built target xmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 80%] Built target obgen
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Building CXX object tools/CMakeFiles/obfitall.dir/obfitall.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obfitall.dir/obfitall.cpp.o -MF CMakeFiles/obfitall.dir/obfitall.cpp.o.d -o CMakeFiles/obfitall.dir/obfitall.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:35:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:219:18: warning: unused variable ‘best_rmsd’ [-Wunused-variable]
  219 |           double best_rmsd = 999.999;
      |                  ^~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 78%] Linking CXX executable ../bin/obminimize
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obminimize.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obminimize.dir/obminimize.cpp.o -o ../bin/obminimize  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 82%] Built target obminimize
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 74%] Building CXX object tools/CMakeFiles/obprop.dir/obprop.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obprop.dir/obprop.cpp.o -MF CMakeFiles/obprop.dir/obprop.cpp.o.d -o CMakeFiles/obprop.dir/obprop.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/cifformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cifformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cifformat.so CMakeFiles/cifformat.dir/cifformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Built target cifformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obsym.dir/obsym.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obsym.dir/obsym.cpp.o -MF CMakeFiles/obsym.dir/obsym.cpp.o.d -o CMakeFiles/obsym.dir/obsym.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o -MF CMakeFiles/obtautomer.dir/obtautomer.cpp.o.d -o CMakeFiles/obtautomer.dir/obtautomer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 73%] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obprobe.dir/obprobe.cpp.o -MF CMakeFiles/obprobe.dir/obprobe.cpp.o.d -o CMakeFiles/obprobe.dir/obprobe.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 80%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -MF CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/getinchi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obsym
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obsym.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obsym.dir/obsym.cpp.o -o ../bin/obsym  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Built target obsym
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Linking CXX shared module ../../lib64/wlnformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/wlnformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/wlnformat.so CMakeFiles/wlnformat.dir/wlnformat.cpp.o "CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o"  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 80%] Linking CXX executable ../bin/obfit
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfit.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obfit.dir/obfit.cpp.o -o ../bin/obfit  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 80%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -MF CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Built target obfit
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Built target wlnformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 81%] Linking CXX executable ../bin/obmm
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obmm.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obmm.dir/obmm.cpp.o -o ../bin/obmm  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 78%] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obthermo.dir/obthermo.cpp.o -MF CMakeFiles/obthermo.dir/obthermo.cpp.o.d -o CMakeFiles/obthermo.dir/obthermo.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:159:18: warning: unused variable ‘Rgas’ [-Wunused-variable]
  159 |           double Rgas  = 1.9872041; // cal/mol K
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:42:10: warning: variable ‘bKJ’ set but not used [-Wunused-but-set-variable]
   42 |   bool   bKJ   = false;
      |          ^~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 84%] Built target obmm
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 78%] Building CXX object tools/CMakeFiles/obgrep.dir/obgrep.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obgrep.dir/obgrep.cpp.o -MF CMakeFiles/obgrep.dir/obgrep.cpp.o.d -o CMakeFiles/obgrep.dir/obgrep.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 82%] Linking CXX executable ../bin/obfitall
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfitall.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obfitall.dir/obfitall.cpp.o -o ../bin/obfitall  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 84%] Built target obfitall
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obtautomer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obtautomer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obtautomer.dir/obtautomer.cpp.o -o ../bin/obtautomer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 84%] Built target obtautomer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 75%] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o -MF CMakeFiles/obrotamer.dir/obrotamer.cpp.o.d -o CMakeFiles/obrotamer.dir/obrotamer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/../src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 76%] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrotate.dir/obrotate.cpp.o -MF CMakeFiles/obrotate.dir/obrotate.cpp.o.d -o CMakeFiles/obrotate.dir/obrotate.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:38:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp: In function ‘main’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:175:28: warning: ‘a2’ may be used uninitialized [-Wmaybe-uninitialized]
  175 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:16: note: ‘a2’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:175:28: warning: ‘a3’ may be used uninitialized [-Wmaybe-uninitialized]
  175 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:21: note: ‘a3’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:181:23: warning: ‘a1’ may be used uninitialized [-Wmaybe-uninitialized]
  181 |         mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:11: note: ‘a1’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:181:23: warning: ‘a4’ may be used uninitialized [-Wmaybe-uninitialized]
  181 |         mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:26: note: ‘a4’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                          ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 84%] Linking CXX executable ../bin/obgrep
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgrep.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obgrep.dir/obgrep.cpp.o -o ../bin/obgrep  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 85%] Built target obgrep
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obprop
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprop.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obprop.dir/obprop.cpp.o -o ../bin/obprop  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Built target obprop
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 75%] Linking CXX shared module ../../lib64/smileyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/test_inchiwrite
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_inchiwrite.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -o ../bin/test_inchiwrite  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Built target smileyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Built target test_inchiwrite
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obprobe
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprobe.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obprobe.dir/obprobe.cpp.o -o ../bin/obprobe  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Built target obprobe
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 84%] Linking CXX executable ../bin/obthermo
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obthermo.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obthermo.dir/obthermo.cpp.o -o ../bin/obthermo  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Built target obthermo
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 81%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o -MF CMakeFiles/roundtrip.dir/roundtrip.cpp.o.d -o CMakeFiles/roundtrip.dir/roundtrip.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 63%] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemkinformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -MF CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o.d -o CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp: In member function ‘bool OpenBabel::ChemKinFormat::ReadReactionQualifierLines(std::istream&, OpenBabel::OBReaction*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:640:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  640 |       for(int i=0;i<toks.size()-1;++i)//also incremented in body to retrieve id,val pairs
      |                   ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp: In member function ‘bool OpenBabel::ChemKinFormat::WriteReactionLine(OpenBabel::OBReaction*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:911:11: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  911 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:911:11: warning: enumeration value ‘THREEBODY’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:990:11: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  990 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:990:11: warning: enumeration value ‘SRI’ not handled in switch [-Wswitch]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 85%] Linking CXX executable ../bin/obrotate
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotate.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obrotate.dir/obrotate.cpp.o -o ../bin/obrotate  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Built target obrotate
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘virtual bool OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:520:12: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  520 |   for(i=0;i<pReact->NumReactants();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:542:12: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  542 |   for(i=0;i<pReact->NumProducts();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘bool OpenBabel::CMLReactFormat::WriteRateData(OpenBabel::OBReaction*, xmlChar*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:706:9: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  706 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  734 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value ‘SRI’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘void OpenBabel::CMLReactFormat::WriteMetadataList(OpenBabel::OBReaction&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:773:26: warning: unused variable ‘C_TITLE’ [-Wunused-variable]
  773 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
In file included from /usr/include/c++/15/string:56,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:45:
In member function ‘std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::_M_check(unsigned long, char const*) const’,
    inlined from ‘std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::substr(unsigned long, unsigned long) const’ at /usr/include/c++/15/bits/basic_string.h:3238:52,
    inlined from ‘OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:616:24:
/usr/include/c++/15/bits/basic_string.h:398:9: warning: ‘mollistPos’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |         if (__pos > this->size())
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:607:38: note: ‘mollistPos’ was declared here
  607 |       string::size_type reaclistPos, mollistPos, footerPos;
      |                                      ^~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 74%] Linking CXX shared module ../../lib64/pdbqtformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbqtformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Built target pdbqtformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 78%] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o -MF CMakeFiles/obdistgen.dir/obdistgen.cpp.o.d -o CMakeFiles/obdistgen.dir/obdistgen.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:108:34: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  108 |       for (unsigned int n = 0; n < mol.NumConformers();++n)
      |                                ~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 85%] Linking CXX executable ../bin/obrotamer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotamer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obrotamer.dir/obrotamer.cpp.o -o ../bin/obrotamer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Built target obrotamer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 81%] Building CXX object test/CMakeFiles/test_runner.dir/aliastest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aliastest.cpp.o -MF CMakeFiles/test_runner.dir/aliastest.cpp.o.d -o CMakeFiles/test_runner.dir/aliastest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp: In member function ‘void AliasTestExample::test()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp:52:18: warning: unused variable ‘ad’ [-Wunused-variable]
   52 |       AliasData* ad = nullptr;
      |                  ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 78%] Building CXX object tools/CMakeFiles/obrms.dir/obrms.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrms.dir/obrms.cpp.o -MF CMakeFiles/obrms.dir/obrms.cpp.o.d -o CMakeFiles/obrms.dir/obrms.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:31:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:219:14: warning: unused variable ‘help’ [-Wunused-variable]
  219 |         bool help = false;
      |              ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Linking CXX executable ../bin/roundtrip
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/roundtrip.dir/roundtrip.cpp.o -o ../bin/roundtrip  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Built target roundtrip
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 78%] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -MF CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o.d -o CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp:10:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp:1:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/automorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/automorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp: In function ‘bool doAutomorphismTest(OpenBabel::OBMol&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp:15:20: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<std::pair<unsigned int, unsigned int> > >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
   15 |   return (G.size() == numAutomorphisms);
      |           ~~~~~~~~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Linking CXX executable ../bin/obdistgen
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obdistgen.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obdistgen.dir/obdistgen.cpp.o -o ../bin/obdistgen  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Built target obdistgen
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonconsistenttest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 80%] Linking CXX shared module ../../lib64/chemdrawcdx.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonconsistenttest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Built target chemdrawcdx
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/buildertest.cpp.o -MF CMakeFiles/test_runner.dir/buildertest.cpp.o.d -o CMakeFiles/test_runner.dir/buildertest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp:15:21: warning: ‘failed’ defined but not used [-Wunused-variable]
   15 | static unsigned int failed = 0;
      |                     ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonfragmenttest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonfragmenttest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/carspacegrouptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/carspacegrouptest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o -MF CMakeFiles/test_runner.dir/canonstabletest.cpp.o.d -o CMakeFiles/test_runner.dir/canonstabletest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonstabletest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonstabletest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/conversiontest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversiontest.cpp.o -MF CMakeFiles/test_runner.dir/conversiontest.cpp.o.d -o CMakeFiles/test_runner.dir/conversiontest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversiontest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversiontest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdoodlejsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -MF CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o.d -o CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/map:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp: In member function ‘virtual bool OpenBabel::ChemDoodleJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:115:30: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  115 |       if (inRoot["m"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Linking CXX executable ../bin/obrms
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrms.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obrms.dir/obrms.cpp.o -o ../bin/obrms  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 91%] Built target obrms
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/cistranstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cistranstest.cpp.o -MF CMakeFiles/test_runner.dir/cistranstest.cpp.o.d -o CMakeFiles/test_runner.dir/cistranstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp:146:3: warning: multi-line comment [-Wcomment]
  146 |   //  / \      |   |      /         / \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 80%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aligntest.cpp.o -MF CMakeFiles/test_runner.dir/aligntest.cpp.o.d -o CMakeFiles/test_runner.dir/aligntest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o -MF CMakeFiles/obgui.dir/stdwx.cpp.o.d -o CMakeFiles/obgui.dir/stdwx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/stdwx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:50,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/stdwx.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm:2:20: warning: ‘sample_xpm’ defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o -MF CMakeFiles/test_runner.dir/implicitHtest.cpp.o.d -o CMakeFiles/test_runner.dir/implicitHtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/implicitHtest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/implicitHtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/gziptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/gziptest.cpp.o -MF CMakeFiles/test_runner.dir/gziptest.cpp.o.d -o CMakeFiles/test_runner.dir/gziptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Linking CXX executable ../bin/obspectrophore
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obspectrophore.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -o ../bin/obspectrophore  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 92%] Built target obspectrophore
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/addhtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/addhtest.cpp.o -MF CMakeFiles/test_runner.dir/addhtest.cpp.o.d -o CMakeFiles/test_runner.dir/addhtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/multicmltest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/multicmltest.cpp.o -MF CMakeFiles/test_runner.dir/multicmltest.cpp.o.d -o CMakeFiles/test_runner.dir/multicmltest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o -MF CMakeFiles/test_runner.dir/graphsymtest.cpp.o.d -o CMakeFiles/test_runner.dir/graphsymtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp: In function ‘void countGraphSymClassesTest(const std::string&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:110:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  110 |   OB_ASSERT( n == numberOfClasses);
      |              ~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:27:6: note: in definition of macro ‘OB_ASSERT’
   27 |   ( (exp) ? static_cast<void>(0) : report_error(#exp, __FILE__, __LINE__, FUNCTION_SIGNATURE, false) )
      |      ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:111:9: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  111 |   if (n != numberOfClasses) {
      |       ~~^~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -MF CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘bool OpenBabel::CMLFormat::DoHCounts()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:967:25: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  967 |           if(it->second == atom->GetIdx())
      |              ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘void OpenBabel::CMLFormat::WriteMetadataList(OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1269:26: warning: unused variable ‘C_TITLE’ [-Wunused-variable]
 1269 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘std::string OpenBabel::CMLFormat::getTimestr()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1319:12: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
 1319 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘virtual bool OpenBabel::CMLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1366:26: warning: unused variable ‘C_DESCRIPTION’ [-Wunused-variable]
 1366 |     static const xmlChar C_DESCRIPTION[]      = "description";
      |                          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘bool OpenBabel::CMLFormat::WriteVibrationData(OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:2308:26: warning: unused variable ‘C_SCALAR’ [-Wunused-variable]
 2308 |     static const xmlChar C_SCALAR[]       = "scalar";
      |                          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cifspacegrouptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cifspacegrouptest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 86%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts && /usr/bin/swig -perl5 -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp -outdir /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-perl.i
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o -MF CMakeFiles/test_runner.dir/squareplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/squareplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:56:3: warning: multi-line comment [-Wcomment]
   56 |   //  / \      |   |     |/  |      / \
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:99:3: warning: multi-line comment [-Wcomment]
   99 |   //  / \      |   |     |/  |      / \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/isomorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:114:3: warning: multi-line comment [-Wcomment]
  114 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:165:3: warning: multi-line comment [-Wcomment]
  165 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:187:3: warning: multi-line comment [-Wcomment]
  187 |   //     /\ /\ /\
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/lssrtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/lssrtest.cpp.o -MF CMakeFiles/test_runner.dir/lssrtest.cpp.o.d -o CMakeFiles/test_runner.dir/lssrtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp: In function ‘bool verifyLSSR(const std::string&, const LSSR&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp:173:8: warning: unused variable ‘fail’ [-Wunused-variable]
  173 |   bool fail = false;
      |        ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/periodictest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/periodictest.cpp.o -MF CMakeFiles/test_runner.dir/periodictest.cpp.o.d -o CMakeFiles/test_runner.dir/periodictest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h: In instantiation of ‘void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp:91:3:   required from here
   36 |   ob_compare(a, b, OB_EXPR( a == b ), __FILE__, __LINE__, FUNCTION_SIGNATURE)
      |   ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp, /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel.py
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts && /usr/bin/swig -python -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp -DHAVE_EIGEN -DHAVE_EIGEN3 -outdir /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-python.i
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/spectrophore.h:571: Warning 312: Nested struct not currently supported (ignored).
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/spectrophore.h:578: Warning 312: Nested struct not currently supported (ignored).
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/rotortest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/rotortest.cpp.o -MF CMakeFiles/test_runner.dir/rotortest.cpp.o.d -o CMakeFiles/test_runner.dir/rotortest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/rotortest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/rotortest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/atom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/atom.cpp.o -MF CMakeFiles/test_runner.dir/atom.cpp.o.d -o CMakeFiles/test_runner.dir/atom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -MF CMakeFiles/test_runner.dir/uniqueidtest.cpp.o.d -o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/uniqueidtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/uniqueidtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/bond.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/bond.cpp.o -MF CMakeFiles/test_runner.dir/bond.cpp.o.d -o CMakeFiles/test_runner.dir/bond.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -MF CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o.d -o CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/map:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp: In member function ‘virtual bool OpenBabel::PubChemJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:121:41: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  121 |       if (inRoot["PC_Compounds"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:131:42: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  131 |       if (inRoot["PC_Substances"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Linking CXX shared module ../../lib64/cmlreactformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlreactformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 95%] Built target cmlreactformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp:22:1: warning: multi-line comment [-Wcomment]
   22 | //         \
      | ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/aromatest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aromatest.cpp.o -MF CMakeFiles/test_runner.dir/aromatest.cpp.o.d -o CMakeFiles/test_runner.dir/aromatest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 79%] Linking CXX shared module ../lib64/plugin_charges.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_charges.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_charges.so CMakeFiles/plugin_charges.dir/charges/eem.cpp.o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o CMakeFiles/plugin_charges.dir/charges/none.cpp.o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 96%] Built target plugin_charges
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o -MF CMakeFiles/obgui.dir/optswx.cpp.o.d -o CMakeFiles/obgui.dir/optswx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./optswx.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/wx-3.2/wx/stringimpl.h:66,
                 from /usr/include/wx-3.2/wx/unichar.h:15,
                 from /usr/include/wx-3.2/wx/strvararg.h:19,
                 from /usr/include/wx-3.2/wx/string.h:37,
                 from /usr/include/wx-3.2/wx/memory.h:15,
                 from /usr/include/wx-3.2/wx/object.h:19,
                 from /usr/include/wx-3.2/wx/tokenzr.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp: In member function ‘bool DynOptionswx::Construct(const char*, const char*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:130:17: warning: comparing the result of pointer addition ‘(p + -1)’ and NULL [-Waddress]
  130 |     while(p && p-1 && *p && *p!='\n') //loop for all options until blank line
      |                ~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:223:16: warning: suggest parentheses around assignment used as truth value [-Wparentheses]
  223 |         if(pdef=strcasestr(pCaption,"default"))
      |            ~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:226:17: warning: unused variable ‘tok’ [-Wunused-variable]
  226 |           char* tok=strtok(pdef," :-\t</\"\'");
      |                 ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:293:60: warning: statement has no effect [-Wunused-value]
  293 |           strcasecmp(pdef,"no") && !strcasecmp(pdef,"not") && strcasecmp(pdef,"none");
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:50:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm:2:20: warning: ‘sample_xpm’ defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -MF CMakeFiles/test_runner.dir/spectrophoretest.cpp.o.d -o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp:3:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp:1:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/cansmi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cansmi.cpp.o -MF CMakeFiles/test_runner.dir/cansmi.cpp.o.d -o CMakeFiles/test_runner.dir/cansmi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 87%] Linking CXX shared module ../../lib64/chemkinformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemkinformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemkinformat.so CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 96%] Built target chemkinformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -MF CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o.d -o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetrahedraltest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetrahedraltest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetraplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp:11:1: warning: multi-line comment [-Wcomment]
   11 | //         \
      | ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/smilestest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilestest.cpp.o -MF CMakeFiles/test_runner.dir/smilestest.cpp.o.d -o CMakeFiles/test_runner.dir/smilestest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp: In function ‘void genericSmilesCanonicalTest(const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:246:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  246 |       if (tetrahedral1[i].center == tetrahedral2[j].center)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:248:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  248 |         if ( tetrahedral1[i] != tetrahedral2[j] ) {
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  268 |       if (squareplanar1[i].center == squareplanar2[j].center)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:270:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  270 |         if ( squareplanar1[i] != squareplanar2[j] ) {
      |         ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/datatest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/datatest.cpp.o -MF CMakeFiles/test_runner.dir/datatest.cpp.o.d -o CMakeFiles/test_runner.dir/datatest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/datatest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/conversion.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversion.cpp.o -MF CMakeFiles/test_runner.dir/conversion.cpp.o.d -o CMakeFiles/test_runner.dir/conversion.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/format.cpp.o -MF CMakeFiles/test_runner.dir/format.cpp.o.d -o CMakeFiles/test_runner.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -MF CMakeFiles/test_runner.dir/charge_mmff94.cpp.o.d -o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp:13:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp:10:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tautomertest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tautomertest.cpp.o -MF CMakeFiles/test_runner.dir/tautomertest.cpp.o.d -o CMakeFiles/test_runner.dir/tautomertest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tautomertest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tautomertest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/shuffletest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/shuffletest.cpp.o -MF CMakeFiles/test_runner.dir/shuffletest.cpp.o.d -o CMakeFiles/test_runner.dir/shuffletest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/shuffletest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/shuffletest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/internalcoord.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/internalcoord.cpp.o -MF CMakeFiles/test_runner.dir/internalcoord.cpp.o.d -o CMakeFiles/test_runner.dir/internalcoord.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/stereotest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereotest.cpp.o -MF CMakeFiles/test_runner.dir/stereotest.cpp.o.d -o CMakeFiles/test_runner.dir/stereotest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp: In function ‘bool doStereoPerception(OpenBabel::OBMol&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘ExtendedCisTrans’ not handled in switch [-Wswitch]
  102 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘SquarePlanar’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘ExtendedTetrahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘TrigonalBipyramidal’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘Octahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp: In function ‘bool doStereoPerception2(OpenBabel::OBMol&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘ExtendedCisTrans’ not handled in switch [-Wswitch]
  132 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘SquarePlanar’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘ExtendedTetrahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘TrigonalBipyramidal’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘Octahedral’ not handled in switch [-Wswitch]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffghemical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffghemical.cpp.o -MF CMakeFiles/test_runner.dir/ffghemical.cpp.o.d -o CMakeFiles/test_runner.dir/ffghemical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/formalcharge.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formalcharge.cpp.o -MF CMakeFiles/test_runner.dir/formalcharge.cpp.o.d -o CMakeFiles/test_runner.dir/formalcharge.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffgaff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffgaff.cpp.o -MF CMakeFiles/test_runner.dir/ffgaff.cpp.o.d -o CMakeFiles/test_runner.dir/ffgaff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmiles.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/logp_psa.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/logp_psa.cpp.o -MF CMakeFiles/test_runner.dir/logp_psa.cpp.o.d -o CMakeFiles/test_runner.dir/logp_psa.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -MF CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o.d -o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp:13:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp:10:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/regressionstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/regressionstest.cpp.o -MF CMakeFiles/test_runner.dir/regressionstest.cpp.o.d -o CMakeFiles/test_runner.dir/regressionstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp: In function ‘void test_ChemDraw_Basic()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:70:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
   70 |   for (int i=0; i<size; ++i) {
      |                 ~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h: In instantiation of ‘void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:242:3:   required from here
   36 |   ob_compare(a, b, OB_EXPR( a == b ), __FILE__, __LINE__, FUNCTION_SIGNATURE)
      |   ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -MF CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o.d -o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:255:5: warning: multi-line comment [-Wcomment]
  255 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:270:5: warning: multi-line comment [-Wcomment]
  270 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:285:5: warning: multi-line comment [-Wcomment]
  285 |     //         \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:287:5: warning: multi-line comment [-Wcomment]
  287 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:310:5: warning: multi-line comment [-Wcomment]
  310 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:329:5: warning: multi-line comment [-Wcomment]
  329 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:339:5: warning: multi-line comment [-Wcomment]
  339 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:349:5: warning: multi-line comment [-Wcomment]
  349 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:366:5: warning: multi-line comment [-Wcomment]
  366 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:377:5: warning: multi-line comment [-Wcomment]
  377 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:390:5: warning: multi-line comment [-Wcomment]
  390 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:401:5: warning: multi-line comment [-Wcomment]
  401 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:432:5: warning: multi-line comment [-Wcomment]
  432 |     //   \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:434:5: warning: multi-line comment [-Wcomment]
  434 |     //        \
      |     ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/iterators.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/iterators.cpp.o -MF CMakeFiles/test_runner.dir/iterators.cpp.o.d -o CMakeFiles/test_runner.dir/iterators.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmarts.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmarts.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 89%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts && /usr/bin/swig -ruby -c++ -small -O -templatereduce -naturalvar -autorename -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-ruby.i
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts && sed -e 's/rb_define_module("Openbabel")/rb_define_module("OpenBabel")/' -e's/void Init_OpenBabel/void Init_openbabel/' </builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt >/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts && /usr/bin/cmake -E remove /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored)
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffuff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffuff.cpp.o -MF CMakeFiles/test_runner.dir/ffuff.cpp.o.d -o CMakeFiles/test_runner.dir/ffuff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/build
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o -MF CMakeFiles/test_runner.dir/ffmmff94.cpp.o.d -o CMakeFiles/test_runner.dir/ffmmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/formula.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formula.cpp.o -MF CMakeFiles/test_runner.dir/formula.cpp.o.d -o CMakeFiles/test_runner.dir/formula.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 91%] Linking CXX shared module ../../lib64/chemdoodlejsonformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdoodlejsonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdoodlejsonformat.so CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Built target chemdoodlejsonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/obtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/obtest.cpp.o -MF CMakeFiles/test_runner.dir/obtest.cpp.o.d -o CMakeFiles/test_runner.dir/obtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartsparse.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartsparse.cpp.o -MF CMakeFiles/test_runner.dir/smartsparse.cpp.o.d -o CMakeFiles/test_runner.dir/smartsparse.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartsparse.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -MF CMakeFiles/test_runner.dir/pdbreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/mol.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/mol.cpp.o -MF CMakeFiles/test_runner.dir/mol.cpp.o.d -o CMakeFiles/test_runner.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o -MF CMakeFiles/test_runner.dir/smilesmatch.cpp.o.d -o CMakeFiles/test_runner.dir/smilesmatch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/math.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/math.cpp.o -MF CMakeFiles/test_runner.dir/math.cpp.o.d -o CMakeFiles/test_runner.dir/math.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -MF CMakeFiles/test_runner.dir/cmlreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/../src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/residue.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/residue.cpp.o -MF CMakeFiles/test_runner.dir/residue.cpp.o.d -o CMakeFiles/test_runner.dir/residue.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/phmodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/phmodel.cpp.o -MF CMakeFiles/test_runner.dir/phmodel.cpp.o.d -o CMakeFiles/test_runner.dir/phmodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartstest.cpp.o -MF CMakeFiles/test_runner.dir/smartstest.cpp.o.d -o CMakeFiles/test_runner.dir/smartstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/ringtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ringtest.cpp.o -MF CMakeFiles/test_runner.dir/ringtest.cpp.o.d -o CMakeFiles/test_runner.dir/ringtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 93%] Linking CXX shared module ../../lib64/cmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o CMakeFiles/cmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Built target cmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/unitcell.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/unitcell.cpp.o -MF CMakeFiles/test_runner.dir/unitcell.cpp.o.d -o CMakeFiles/test_runner.dir/unitcell.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/unitcell.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 95%] Linking CXX shared module ../../lib64/pubchemjsonformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchemjsonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pubchemjsonformat.so CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Built target pubchemjsonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 79%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o -MF CMakeFiles/obgui.dir/OBGUI.cpp.o.d -o CMakeFiles/obgui.dir/OBGUI.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/wx-3.2/wx/stringimpl.h:66,
                 from /usr/include/wx-3.2/wx/unichar.h:15,
                 from /usr/include/wx-3.2/wx/strvararg.h:19,
                 from /usr/include/wx-3.2/wx/string.h:37,
                 from /usr/include/wx-3.2/wx/memory.h:15,
                 from /usr/include/wx-3.2/wx/object.h:19,
                 from /usr/include/wx-3.2/wx/tokenzr.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./selformats.h: In member function ‘bool ActiveFormats::Add(wxString&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./selformats.h:82:66: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
   82 |                 return (ActiveFormatsString.find(format+_T(';')) != -1);
      |                         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘virtual bool OBGUIApp::OnInit()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:129:21: warning: unused variable ‘splash’ [-Wunused-variable]
  129 |     wxSplashScreen* splash = new wxSplashScreen(bitmap,
      |                     ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::OnConvert(wxCommandEvent&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:589:9: warning: ignoring return value of ‘std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::__string_type std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::str() const [with _CharT = char; _Traits = std::char_traits<char>; _Alloc = std::allocator<char>; __string_type = std::__cxx11::basic_string<char>]’, declared with attribute ‘nodiscard’ [-Wunused-result]
  589 |   ss.str();
      |   ~~~~~~^~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:28:
/usr/include/c++/15/sstream:713:7: note: declared here
  713 |       str() const _GLIBCXX_LVAL_REF_QUAL
      |       ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::DisplayInputFiles(wxArrayString)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:766:12: warning: comparison of integer expressions of different signedness: ‘int’ and ‘size_t’ {aka ‘long unsigned int’} [-Wsign-compare]
  766 |   for(i=0;i<filepatharray.GetCount();++i)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘bool OBGUIFrame::SetChoice(wxChoice*, const wxString&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:890:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  890 |   for(int iSel=0;iSel<pChoice->GetCount();iSel++)
      |                  ~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘wxString OBGUIFrame::ShortenedPath(const wxString&, const wxWindow&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:934:10: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  934 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:936:10: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  936 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:943:12: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  943 |     if(pos2==wxNOT_FOUND || pos2+1 == tpath.length()) return path;
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:946:46: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  946 |     if(tpath.find_first_of(_T("/\\"), pos2+1)==wxNOT_FOUND) return path;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::GetAvailableFormats()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1000:13: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const size_t’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1000 |       if(pos!=wxString::npos)
      |          ~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1005:11: warning: variable ‘n’ set but not used [-Wunused-but-set-variable]
 1005 |       int n;
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::MakePluginsMenu()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1101:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1101 |   for(int itop=0; itop < topvec.size(); ++itop)
      |                   ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1109:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1109 |     for(int isub=0; isub < subvec.size(); ++isub)
      |                     ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void CFilenames::OnKeyPress(wxKeyEvent&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1187:50: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1187 |       if(nameWithWildcard.find_first_of(_T("*?"))==wxNOT_FOUND)
      |                                                  ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1203:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1203 |         for(i=0;i<filelist.size();++i)
      |                 ~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Linking CXX executable ../../bin/obgui
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/GUI && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgui.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/obgui.dir/OBGUI.cpp.o CMakeFiles/obgui.dir/stdwx.cpp.o CMakeFiles/obgui.dir/optswx.cpp.o -o ../../bin/obgui  ../../lib64/libopenbabel.so.7.0.0 -pthread -lwx_baseu-3.2 -lwx_gtk3u_core-3.2 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Built target obgui
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Linking CXX executable ../bin/test_runner
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_runner.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic CMakeFiles/test_runner.dir/test_runner.cpp.o CMakeFiles/test_runner.dir/aligntest.cpp.o CMakeFiles/test_runner.dir/aliastest.cpp.o CMakeFiles/test_runner.dir/automorphismtest.cpp.o CMakeFiles/test_runner.dir/buildertest.cpp.o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o CMakeFiles/test_runner.dir/canonstabletest.cpp.o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cistranstest.cpp.o CMakeFiles/test_runner.dir/conversiontest.cpp.o CMakeFiles/test_runner.dir/graphsymtest.cpp.o CMakeFiles/test_runner.dir/gziptest.cpp.o CMakeFiles/test_runner.dir/addhtest.cpp.o CMakeFiles/test_runner.dir/implicitHtest.cpp.o CMakeFiles/test_runner.dir/lssrtest.cpp.o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o CMakeFiles/test_runner.dir/multicmltest.cpp.o CMakeFiles/test_runner.dir/periodictest.cpp.o CMakeFiles/test_runner.dir/regressionstest.cpp.o CMakeFiles/test_runner.dir/rotortest.cpp.o CMakeFiles/test_runner.dir/shuffletest.cpp.o CMakeFiles/test_runner.dir/smilestest.cpp.o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o CMakeFiles/test_runner.dir/squareplanartest.cpp.o CMakeFiles/test_runner.dir/stereotest.cpp.o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o CMakeFiles/test_runner.dir/tautomertest.cpp.o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o CMakeFiles/test_runner.dir/aromatest.cpp.o CMakeFiles/test_runner.dir/atom.cpp.o CMakeFiles/test_runner.dir/bond.cpp.o CMakeFiles/test_runner.dir/cansmi.cpp.o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o CMakeFiles/test_runner.dir/conversion.cpp.o CMakeFiles/test_runner.dir/datatest.cpp.o CMakeFiles/test_runner.dir/ffgaff.cpp.o CMakeFiles/test_runner.dir/ffghemical.cpp.o CMakeFiles/test_runner.dir/ffmmff94.cpp.o CMakeFiles/test_runner.dir/ffuff.cpp.o CMakeFiles/test_runner.dir/formalcharge.cpp.o CMakeFiles/test_runner.dir/format.cpp.o CMakeFiles/test_runner.dir/formula.cpp.o CMakeFiles/test_runner.dir/internalcoord.cpp.o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o CMakeFiles/test_runner.dir/iterators.cpp.o CMakeFiles/test_runner.dir/logp_psa.cpp.o CMakeFiles/test_runner.dir/math.cpp.o CMakeFiles/test_runner.dir/mol.cpp.o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o CMakeFiles/test_runner.dir/phmodel.cpp.o CMakeFiles/test_runner.dir/residue.cpp.o CMakeFiles/test_runner.dir/ringtest.cpp.o CMakeFiles/test_runner.dir/smartstest.cpp.o CMakeFiles/test_runner.dir/smartsparse.cpp.o CMakeFiles/test_runner.dir/smilesmatch.cpp.o CMakeFiles/test_runner.dir/unitcell.cpp.o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o CMakeFiles/test_runner.dir/obtest.cpp.o -o ../bin/test_runner  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Built target test_runner
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 94%] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_python_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -MF CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o.d -o CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp
In file included from /usr/include/python3.13/pyconfig.h:6,
                 from /usr/include/python3.13/Python.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:202:
/usr/include/python3.13/pyconfig-64.h:1943:9: warning: ‘_LARGEFILE_SOURCE’ redefined
 1943 | #define _LARGEFILE_SOURCE 1
      |         ^~~~~~~~~~~~~~~~~
<command-line>: note: this is the location of the previous definition
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3601:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3602:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3609:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3616:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3517:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_SwigPyIterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7725:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7725 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7725:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7725 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator_incr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7763:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7763 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_incr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7763:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7763 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_incr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7765:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7765 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7765:64: note: in expansion of macro ‘SWIG_fail’
 7765 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7767:64: note: in expansion of macro ‘SWIG_fail’
 7767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator_decr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_decr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7794:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_decr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7796:64: note: in expansion of macro ‘SWIG_fail’
 7796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7798:64: note: in expansion of macro ‘SWIG_fail’
 7798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator___sub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7987:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator___sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7987:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator___sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7991:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7991 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7991:64: note: in expansion of macro ‘SWIG_fail’
 7991 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setslice____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8073:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8073 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8073:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8073 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8094:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8094 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8094:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8094 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8096:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8096 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8096:64: note: in expansion of macro ‘SWIG_fail’
 8096 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8098:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8098 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8098:64: note: in expansion of macro ‘SWIG_fail’
 8098 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8169 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8169:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8169 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___delitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8180 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8180:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8180 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8189:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8189 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8189:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8189 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8193:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8193 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8193:64: note: in expansion of macro ‘SWIG_fail’
 8193 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___getitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8200:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8200 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8200:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8200 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8213:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8213 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8213:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8213 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8217:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8217:64: note: in expansion of macro ‘SWIG_fail’
 8217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8237:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8239:64: note: in expansion of macro ‘SWIG_fail’
 8239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8242:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8242 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8242:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8242 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8244:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8244 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8244:64: note: in expansion of macro ‘SWIG_fail’
 8244 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8258:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8258 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8258:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8258 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8266:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8266 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8266:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8266 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt_clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8269:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8269 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8269:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8269 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8296:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8296 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8296:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8296 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8299:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8299 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8299:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8299 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8302:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8302 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8302:64: note: in expansion of macro ‘SWIG_fail’
 8302 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_vectorInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8310:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8310 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8310:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8310 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8329:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8329 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8329:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8329 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8424 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8424:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8424 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8426:64: note: in expansion of macro ‘SWIG_fail’
 8426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8428:64: note: in expansion of macro ‘SWIG_fail’
 8428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8522:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8522 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8522:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8522 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8526:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8526 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8526:64: note: in expansion of macro ‘SWIG_fail’
 8526 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8548:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8548 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8548:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8548 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8552:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8552 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8552:64: note: in expansion of macro ‘SWIG_fail’
 8552 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8575:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8575 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8575:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8575 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8577:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8577 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8577:64: note: in expansion of macro ‘SWIG_fail’
 8577 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8582:64: note: in expansion of macro ‘SWIG_fail’
 8582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorUnsignedInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8605:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8605 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8605:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8605 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorUnsignedInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8636:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorUnsignedInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8636:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorUnsignedInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8638:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8638:64: note: in expansion of macro ‘SWIG_fail’
 8638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8642:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8642:64: note: in expansion of macro ‘SWIG_fail’
 8642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8644:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8644:64: note: in expansion of macro ‘SWIG_fail’
 8644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8673:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8673 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8673:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8673 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8768:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8768 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8768:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8768 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8770:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8770:64: note: in expansion of macro ‘SWIG_fail’
 8770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8772:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8772 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8772:64: note: in expansion of macro ‘SWIG_fail’
 8772 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8866:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8866 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8866:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8866 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8870:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8870 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8870:64: note: in expansion of macro ‘SWIG_fail’
 8870 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8891 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8891:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8891 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8895:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8895:64: note: in expansion of macro ‘SWIG_fail’
 8895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8918:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8918 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8918:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8918 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8920:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8920 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8920:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8920 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8922:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8922:64: note: in expansion of macro ‘SWIG_fail’
 8922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8927:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8927:64: note: in expansion of macro ‘SWIG_fail’
 8927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8951:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8951 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8951:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8951 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8983 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8983:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8983 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8985:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8985 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8985:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8985 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8987:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8987 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8987:64: note: in expansion of macro ‘SWIG_fail’
 8987 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8991:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8991 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8991:64: note: in expansion of macro ‘SWIG_fail’
 8991 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8993:64: note: in expansion of macro ‘SWIG_fail’
 8993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9022:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9022 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9022:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9022 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9115:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9115:64: note: in expansion of macro ‘SWIG_fail’
 9115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9117:64: note: in expansion of macro ‘SWIG_fail’
 9117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9213:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9213 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9213:64: note: in expansion of macro ‘SWIG_fail’
 9213 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9237:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9237 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9237:64: note: in expansion of macro ‘SWIG_fail’
 9237 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9261:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9261 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9261:64: note: in expansion of macro ‘SWIG_fail’
 9261 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9264:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9264 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9264:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9264 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9266:64: note: in expansion of macro ‘SWIG_fail’
 9266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorDouble__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9288:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9288 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9288:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9288 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorDouble(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9319:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9319 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorDouble", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9319:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9319 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorDouble", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9321 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9321:64: note: in expansion of macro ‘SWIG_fail’
 9321 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9325:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9325 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9325:64: note: in expansion of macro ‘SWIG_fail’
 9325 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9327:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9327 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9327:64: note: in expansion of macro ‘SWIG_fail’
 9327 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9355:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9355 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9355:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9355 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9451:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9451 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9451:64: note: in expansion of macro ‘SWIG_fail’
 9451 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9453:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9453 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9453:64: note: in expansion of macro ‘SWIG_fail’
 9453 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9546:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9546 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9546:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9546 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9550:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9550 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9550:64: note: in expansion of macro ‘SWIG_fail’
 9550 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9571:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9571 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9571:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9571 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9575:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9575 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9575:64: note: in expansion of macro ‘SWIG_fail’
 9575 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9597:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9597 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9597:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9597 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9599:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9599 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9599:64: note: in expansion of macro ‘SWIG_fail’
 9599 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9604:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9604:64: note: in expansion of macro ‘SWIG_fail’
 9604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorULong__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9627:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9627 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9627:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9627 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorULong(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9658:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorULong", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9658:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorULong", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9660:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9660:64: note: in expansion of macro ‘SWIG_fail’
 9660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9664:64: note: in expansion of macro ‘SWIG_fail’
 9664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9666:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9666:64: note: in expansion of macro ‘SWIG_fail’
 9666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9695:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9695 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9695:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9695 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9791:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9791 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9791:64: note: in expansion of macro ‘SWIG_fail’
 9791 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9793:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9793 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9793:64: note: in expansion of macro ‘SWIG_fail’
 9793 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9889:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9889 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9889:64: note: in expansion of macro ‘SWIG_fail’
 9889 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9914:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9914 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9914:64: note: in expansion of macro ‘SWIG_fail’
 9914 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9935:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9935 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9935:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9935 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9939 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9939:64: note: in expansion of macro ‘SWIG_fail’
 9939 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9944:64: note: in expansion of macro ‘SWIG_fail’
 9944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9967 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9967:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9967 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9987:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9987 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9987:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9987 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9997:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9997 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9997:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9997 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9999:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9999 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9999:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9999 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10001:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10001 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10001:64: note: in expansion of macro ‘SWIG_fail’
10001 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10005:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10005 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10005:64: note: in expansion of macro ‘SWIG_fail’
10005 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10007:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10007 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10007:64: note: in expansion of macro ‘SWIG_fail’
10007 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10036:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10036 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10036:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10036 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10133:64: note: in expansion of macro ‘SWIG_fail’
10133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10135:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10135:64: note: in expansion of macro ‘SWIG_fail’
10135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10233 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10233:64: note: in expansion of macro ‘SWIG_fail’
10233 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10258:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10258 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10258:64: note: in expansion of macro ‘SWIG_fail’
10258 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10284:64: note: in expansion of macro ‘SWIG_fail’
10284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10289:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10289 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10289:64: note: in expansion of macro ‘SWIG_fail’
10289 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10313:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10313 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10313:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10313 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorVector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10346:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10346 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10346:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10346 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10348:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10348:64: note: in expansion of macro ‘SWIG_fail’
10348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10352:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10352 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10352:64: note: in expansion of macro ‘SWIG_fail’
10352 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10354:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10354 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10354:64: note: in expansion of macro ‘SWIG_fail’
10354 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10491:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10491:64: note: in expansion of macro ‘SWIG_fail’
10491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10493:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10493:64: note: in expansion of macro ‘SWIG_fail’
10493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10605:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10605:64: note: in expansion of macro ‘SWIG_fail’
10605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10633:64: note: in expansion of macro ‘SWIG_fail’
10633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10660 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10660:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10660 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10664:64: note: in expansion of macro ‘SWIG_fail’
10664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10669:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10669:64: note: in expansion of macro ‘SWIG_fail’
10669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10685:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10685 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10685:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10685 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10694:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10694 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10694:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10694 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10716:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10716 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10716:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10716 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10727 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10727:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10727 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10729:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10729 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10729:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10729 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10731:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10731:64: note: in expansion of macro ‘SWIG_fail’
10731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10735:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10735 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10735:64: note: in expansion of macro ‘SWIG_fail’
10735 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10737:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10737 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10737:64: note: in expansion of macro ‘SWIG_fail’
10737 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10766 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10766:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10766 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10863:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10863 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10863:64: note: in expansion of macro ‘SWIG_fail’
10863 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10865:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10865 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10865:64: note: in expansion of macro ‘SWIG_fail’
10865 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10959:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10959 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10959:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10959 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10963:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10963 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10963:64: note: in expansion of macro ‘SWIG_fail’
10963 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10984:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10984 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10984:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10984 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10988:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10988 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10988:64: note: in expansion of macro ‘SWIG_fail’
10988 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11012 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11012:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11012 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11014:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11014 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11014:64: note: in expansion of macro ‘SWIG_fail’
11014 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11019:64: note: in expansion of macro ‘SWIG_fail’
11019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11042:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11042 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11042:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11042 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11075:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11075 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11075:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11075 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11077:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11077:64: note: in expansion of macro ‘SWIG_fail’
11077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11081:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11081 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11081:64: note: in expansion of macro ‘SWIG_fail’
11081 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11083:64: note: in expansion of macro ‘SWIG_fail’
11083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11112:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11112 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11112:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11112 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11209:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11209:64: note: in expansion of macro ‘SWIG_fail’
11209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11211:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11211 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11211:64: note: in expansion of macro ‘SWIG_fail’
11211 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11309:64: note: in expansion of macro ‘SWIG_fail’
11309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11334:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11334:64: note: in expansion of macro ‘SWIG_fail’
11334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11360:64: note: in expansion of macro ‘SWIG_fail’
11360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11365:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11365 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11365:64: note: in expansion of macro ‘SWIG_fail’
11365 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11388:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11388 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11388:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11388 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11421:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11421 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11421:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11421 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11423:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11423 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11423:64: note: in expansion of macro ‘SWIG_fail’
11423 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11427:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11427 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11427:64: note: in expansion of macro ‘SWIG_fail’
11427 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11429:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11429:64: note: in expansion of macro ‘SWIG_fail’
11429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11458 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11458:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11458 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11555 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11555:64: note: in expansion of macro ‘SWIG_fail’
11555 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11557:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11557 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11557:64: note: in expansion of macro ‘SWIG_fail’
11557 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11655:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11655 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11655:64: note: in expansion of macro ‘SWIG_fail’
11655 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11680:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11680 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11680:64: note: in expansion of macro ‘SWIG_fail’
11680 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11707:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11707 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11707:64: note: in expansion of macro ‘SWIG_fail’
11707 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11712:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11712:64: note: in expansion of macro ‘SWIG_fail’
11712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBResidue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11736:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11736 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11736:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11736 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11769:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11769 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBResidue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11769:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11769 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBResidue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11771:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11771 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11771:64: note: in expansion of macro ‘SWIG_fail’
11771 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11775:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11775 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11775:64: note: in expansion of macro ‘SWIG_fail’
11775 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11777:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11777 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11777:64: note: in expansion of macro ‘SWIG_fail’
11777 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11806:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11806 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11806:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11806 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11903:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11903 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11903:64: note: in expansion of macro ‘SWIG_fail’
11903 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11905:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11905 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11905:64: note: in expansion of macro ‘SWIG_fail’
11905 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12003:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12003 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12003:64: note: in expansion of macro ‘SWIG_fail’
12003 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12028:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12028:64: note: in expansion of macro ‘SWIG_fail’
12028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12054:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12054:64: note: in expansion of macro ‘SWIG_fail’
12054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12059:64: note: in expansion of macro ‘SWIG_fail’
12059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12082:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12082 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12082:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12082 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12115:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12115 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12115:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12115 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12117:64: note: in expansion of macro ‘SWIG_fail’
12117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12121:64: note: in expansion of macro ‘SWIG_fail’
12121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12123:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12123 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12123:64: note: in expansion of macro ‘SWIG_fail’
12123 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12152:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12152 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12152:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12152 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12249:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12249:64: note: in expansion of macro ‘SWIG_fail’
12249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12251:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12251 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12251:64: note: in expansion of macro ‘SWIG_fail’
12251 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12349:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12349 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12349:64: note: in expansion of macro ‘SWIG_fail’
12349 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12373:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12373 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12373:64: note: in expansion of macro ‘SWIG_fail’
12373 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12397:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12397:64: note: in expansion of macro ‘SWIG_fail’
12397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12402:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12402 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12402:64: note: in expansion of macro ‘SWIG_fail’
12402 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12426:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12426 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12426:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12426 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12447:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12447 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12447:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12447 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12457:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12457 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorpOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12457:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12457 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorpOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12459:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12459 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12459:64: note: in expansion of macro ‘SWIG_fail’
12459 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12463:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12463:64: note: in expansion of macro ‘SWIG_fail’
12463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12465:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12465 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12465:64: note: in expansion of macro ‘SWIG_fail’
12465 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___len__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12523:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12523 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12523:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12523 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12599 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12599:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12599 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12601:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12601 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12601:64: note: in expansion of macro ‘SWIG_fail’
12601 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12603:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12603 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12603:64: note: in expansion of macro ‘SWIG_fail’
12603 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12707 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12707:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12707 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12711:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12711 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12711:64: note: in expansion of macro ‘SWIG_fail’
12711 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12734:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12734 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12734:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12734 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12738:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12738 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12738:64: note: in expansion of macro ‘SWIG_fail’
12738 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12764:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12766:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12766 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12766:64: note: in expansion of macro ‘SWIG_fail’
12766 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12772:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12772 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12772:64: note: in expansion of macro ‘SWIG_fail’
12772 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBGenericData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12796 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12796:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12796 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBGenericData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12831:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12831 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12831:64: note: in expansion of macro ‘SWIG_fail’
12831 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12835:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12835 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12835:64: note: in expansion of macro ‘SWIG_fail’
12835 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12837:64: note: in expansion of macro ‘SWIG_fail’
12837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___len__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12895:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12895 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12895:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12895 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12973:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12973 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12973:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12973 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12975:64: note: in expansion of macro ‘SWIG_fail’
12975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12977:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12977 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12977:64: note: in expansion of macro ‘SWIG_fail’
12977 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13086:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13086 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13086:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13086 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13090:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13090 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13090:64: note: in expansion of macro ‘SWIG_fail’
13090 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13114:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13118:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13118:64: note: in expansion of macro ‘SWIG_fail’
13118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13145 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13145:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13145 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13147:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13147:64: note: in expansion of macro ‘SWIG_fail’
13147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13153:64: note: in expansion of macro ‘SWIG_fail’
13153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13177:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13177 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13177:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13177 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13212:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13212:64: note: in expansion of macro ‘SWIG_fail’
13212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13216:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13216:64: note: in expansion of macro ‘SWIG_fail’
13216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13218:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13218 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13218:64: note: in expansion of macro ‘SWIG_fail’
13218 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_pairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13272:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13272 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13272:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13272 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_pairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13274:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13274 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_pairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13274:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13274 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_pairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13276:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13276 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13276:64: note: in expansion of macro ‘SWIG_fail’
13276 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13278:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13278 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13278:64: note: in expansion of macro ‘SWIG_fail’
13278 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13280:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13280:64: note: in expansion of macro ‘SWIG_fail’
13280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13455:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13455:64: note: in expansion of macro ‘SWIG_fail’
13455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13457:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13457 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13457:64: note: in expansion of macro ‘SWIG_fail’
13457 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13573:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13573 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13573:64: note: in expansion of macro ‘SWIG_fail’
13573 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13601:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13601 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13601:64: note: in expansion of macro ‘SWIG_fail’
13601 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13628:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13628 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13628:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13628 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13632:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13632:64: note: in expansion of macro ‘SWIG_fail’
13632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13637:64: note: in expansion of macro ‘SWIG_fail’
13637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13661:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13661 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13661:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13661 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13673:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13673 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13673:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13673 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13683:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13683 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13683:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13683 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13694:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13694 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13694:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13694 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13696:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13696 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13696:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13696 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13698:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13698:64: note: in expansion of macro ‘SWIG_fail’
13698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13702:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13702 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13702:64: note: in expansion of macro ‘SWIG_fail’
13702 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13704:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13704:64: note: in expansion of macro ‘SWIG_fail’
13704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13842:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13842 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13842:64: note: in expansion of macro ‘SWIG_fail’
13842 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13844:64: note: in expansion of macro ‘SWIG_fail’
13844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13960:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13960 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13960:64: note: in expansion of macro ‘SWIG_fail’
13960 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13989:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13989 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13989:64: note: in expansion of macro ‘SWIG_fail’
13989 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14016 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14016:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14016 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14020:64: note: in expansion of macro ‘SWIG_fail’
14020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14025:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14025:64: note: in expansion of macro ‘SWIG_fail’
14025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_append(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14062:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14062 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14062:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14062 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14073:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14073 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14073:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14073 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14082:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14082 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14082:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14082 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_rbegin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14148:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14148 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14148:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14148 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_rend(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14160 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14160:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14160 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14191:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14191 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14191:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14191 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_erase(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14271:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14271 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_erase", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14271:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14271 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_erase", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14273:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14273 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14273:64: note: in expansion of macro ‘SWIG_fail’
14273 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14275:64: note: in expansion of macro ‘SWIG_fail’
14275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14285:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14285 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14285:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14285 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14296:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14296 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14296:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14296 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14298:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14298 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vvpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14298:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14298 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vvpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14300:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14300 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14300:64: note: in expansion of macro ‘SWIG_fail’
14300 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14304:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14304 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14304:64: note: in expansion of macro ‘SWIG_fail’
14304 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14306:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14306 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14306:64: note: in expansion of macro ‘SWIG_fail’
14306 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_push_back(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14330:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14330 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14330:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14330 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_front(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14335:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14335 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14335:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14335 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_back(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14348:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14348 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14348:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14348 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_assign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14378:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14378 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14378:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14378 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_resize__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14400:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14400 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14400:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14400 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_resize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14402:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14402 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_resize", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14402:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14402 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_resize", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14404:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14404 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14404:64: note: in expansion of macro ‘SWIG_fail’
14404 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14406:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14406 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14406:64: note: in expansion of macro ‘SWIG_fail’
14406 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14441:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14441 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14441:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14441 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14472:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14472 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14472:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14472 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14474 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_insert", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14474:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14474 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_insert", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14476:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14476 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14476:64: note: in expansion of macro ‘SWIG_fail’
14476 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14478:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14478 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14478:64: note: in expansion of macro ‘SWIG_fail’
14478 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_SetReadDirectory(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14777:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14777 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14777:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14777 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_SetEnvironmentVariable(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14788:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14788 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14788:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14788 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_ParseLine(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14799 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14799:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14799 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAtomHOF(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14815:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14815 |   if (!SWIG_Python_UnpackTuple(args, "new_OBAtomHOF", 8, 8, swig_obj)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14815:83: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14815 |   if (!SWIG_Python_UnpackTuple(args, "new_OBAtomHOF", 8, 8, swig_obj)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                                                                   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAtomHOF(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14842:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14842 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14842:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14842 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_SetFromType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14996:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14996 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14996:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14996 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_SetToType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15008:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15008 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15008:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15008 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15023:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15023 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15023:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15023 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15024:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15024 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15024:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15024 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15043:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15043 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15043:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15043 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15059:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15059 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTypeTable_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15059:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15059 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTypeTable_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15061:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15061 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15061:64: note: in expansion of macro ‘SWIG_fail’
15061 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15063:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15063 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15063:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15063 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15064:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15064 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15064:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15064 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15066:64: note: in expansion of macro ‘SWIG_fail’
15066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_SetResName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15124:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15124 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15124:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15124 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15137:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15137 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15137:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15137 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15156:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15156 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15156:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15156 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15157 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15157:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15157 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15159:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15159 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidueData_LookupBO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15159:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15159 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidueData_LookupBO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15161:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15161 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15161:64: note: in expansion of macro ‘SWIG_fail’
15161 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15163:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15163 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15163:64: note: in expansion of macro ‘SWIG_fail’
15163 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15190 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15190:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15190 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSqrtTbl(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15293:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15293 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSqrtTbl", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15293:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15293 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSqrtTbl", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15296:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15296 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15296:64: note: in expansion of macro ‘SWIG_fail’
15296 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSqrtTbl(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15302:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15302 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15302:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15302 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15393:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15393 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15393:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15393 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15405:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15405 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15405:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15405 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15423:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15423 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vector3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15423:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15423 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vector3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15430:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15430 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15430:64: note: in expansion of macro ‘SWIG_fail’
15430 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15433:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15433:64: note: in expansion of macro ‘SWIG_fail’
15433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_vector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15441:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15441 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15441:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15441 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_begin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15469:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15469 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_begin", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15469:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15469 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_begin", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15472:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15472 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15472:64: note: in expansion of macro ‘SWIG_fail’
15472 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_end(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_end", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15485:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_end", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15488:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15488 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15488:64: note: in expansion of macro ‘SWIG_fail’
15488 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_Set__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15494:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15494 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15494:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15494 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_Set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15517:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15517 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_Set", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15517:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15517 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_Set", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15520:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15520 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15520:64: note: in expansion of macro ‘SWIG_fail’
15520 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___iadd__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15636:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___iadd__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15636:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___iadd__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15638:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15638 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15638:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15638 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15640:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15640 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15640:64: note: in expansion of macro ‘SWIG_fail’
15640 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___isub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15657:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15657 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___isub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15657:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15657 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___isub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15659:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15659 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15659:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15659 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15661:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15661 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15661:64: note: in expansion of macro ‘SWIG_fail’
15661 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___imul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15707 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___imul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15707:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15707 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___imul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15711:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15711 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15711:64: note: in expansion of macro ‘SWIG_fail’
15711 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_randomUnitVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15717:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15717 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15717:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15717 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15753:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15753 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15753:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15753 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15760:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15760 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15760:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15760 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15767:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15767 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15767:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15767 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15774:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15774 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15774:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15774 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15780:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15780 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_x", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15780:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15780 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_x", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15783:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15783:64: note: in expansion of macro ‘SWIG_fail’
15783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15788:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15788 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15788:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15788 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_y", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15794:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_y", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15797:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15797 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15797:64: note: in expansion of macro ‘SWIG_fail’
15797 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15802:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15802 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15802:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15802 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15808:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15808 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_z", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15808:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15808 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_z", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15811:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15811 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15811:64: note: in expansion of macro ‘SWIG_fail’
15811 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_Point2Plane(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16132:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16132 |   if (!SWIG_Python_UnpackTuple(args, "Point2Plane", 4, 4, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16132:81: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16132 |   if (!SWIG_Python_UnpackTuple(args, "Point2Plane", 4, 4, swig_obj)) SWIG_fail; {
      |                                                                                 ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_Point2PlaneAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16162 |   if (!SWIG_Python_UnpackTuple(args, "Point2PlaneAngle", 4, 4, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16162:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16162 |   if (!SWIG_Python_UnpackTuple(args, "Point2PlaneAngle", 4, 4, swig_obj)) SWIG_fail; {
      |                                                                                      ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16229:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16229 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16229:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16229 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16237 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16237:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16237 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16268:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_matrix3x3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16268:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_matrix3x3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16275:64: note: in expansion of macro ‘SWIG_fail’
16275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_matrix3x3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16282:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16282 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16282:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16282 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_matrix3x3___call__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16326:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16326 |   if (!(argc = SWIG_Python_UnpackTuple(args, "matrix3x3___call__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16326:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16326 |   if (!(argc = SWIG_Python_UnpackTuple(args, "matrix3x3___call__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16328:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16328 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16328:64: note: in expansion of macro ‘SWIG_fail’
16328 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16330:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16330 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16330:64: note: in expansion of macro ‘SWIG_fail’
16330 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___mul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16599 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16599:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16599 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16601:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16601 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16601:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16601 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16602:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16602 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16602:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16602 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16606:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16606 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(self, argc, argv);}  check_2: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16606:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16606 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(self, argc, argv);}  check_2: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16612:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16612 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16612:64: note: in expansion of macro ‘SWIG_fail’
16612 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16682 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16682:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16682 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16721:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16721 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_a_3__double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16721:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16721 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_a_3__double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16732:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16732 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_transform3d", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16732:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16732 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_transform3d", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16734:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16734:64: note: in expansion of macro ‘SWIG_fail’
16734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16736:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16736:64: note: in expansion of macro ‘SWIG_fail’
16736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16740:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16740 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16740:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16740 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16742:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16742 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16742:64: note: in expansion of macro ‘SWIG_fail’
16742 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16744:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16744:64: note: in expansion of macro ‘SWIG_fail’
16744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_transform3d___mul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16784:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16784 |   if (!(argc = SWIG_Python_UnpackTuple(args, "transform3d___mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16784:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16784 |   if (!(argc = SWIG_Python_UnpackTuple(args, "transform3d___mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16788:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16788 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16788:64: note: in expansion of macro ‘SWIG_fail’
16788 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_SetHMName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16855:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16855 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16855:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16855 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_SetHallName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16866:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16866 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16866:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16866 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_AddTransform(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16890:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16890 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16890:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16890 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16979:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16979 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16979:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16979 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16982:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16982 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16982:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16982 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16989:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16989 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16989:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16989 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17005:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17005 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17005:64: note: in expansion of macro ‘SWIG_fail’
17005 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBBitVec(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17101:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17101 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBBitVec", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17101:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17101 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBBitVec", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17107:64: note: in expansion of macro ‘SWIG_fail’
17107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FirstBit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17189:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17189 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec_FirstBit", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17189:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17189 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec_FirstBit", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17191:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17191 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17191:64: note: in expansion of macro ‘SWIG_fail’
17191 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17193:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17193 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17193:64: note: in expansion of macro ‘SWIG_fail’
17193 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FromVecInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17283:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17283 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17283:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17283 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FromString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17298:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17298 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17298:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17298 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17314 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17314:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17314 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_Negate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17321:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17321 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17321:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17321 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec___ior__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17382:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17382 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec___ior__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17382:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17382 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec___ior__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17386:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17386:64: note: in expansion of macro ‘SWIG_fail’
17386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___sub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17504:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17508:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17508 |      if (!_v) goto check_2; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17508:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17508 |      if (!_v) goto check_2; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17511:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17511 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17511:64: note: in expansion of macro ‘SWIG_fail’
17511 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBitVec(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17582 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17582:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17582 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17620:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17620 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17620:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17620 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17645:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17645 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17645:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17645 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17658:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGenericData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17658:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGenericData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17660:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17660:64: note: in expansion of macro ‘SWIG_fail’
17660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17662:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17662 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17662:64: note: in expansion of macro ‘SWIG_fail’
17662 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17664:64: note: in expansion of macro ‘SWIG_fail’
17664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17666:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17666:64: note: in expansion of macro ‘SWIG_fail’
17666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGenericData_SetAttribute(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17707 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17707:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17707 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBase(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17764 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17764:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17764 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17818 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17818:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17818 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17820:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17820 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17820:64: note: in expansion of macro ‘SWIG_fail’
17820 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17822:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17822 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17822:64: note: in expansion of macro ‘SWIG_fail’
17822 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17836:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17836 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17836:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17836 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17849:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17849 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17849:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17849 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17853 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17853:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17853 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17861:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17861 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17861:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17861 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17873:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17873 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_HasData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; { {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17873:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17873 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_HasData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; { {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17879:64: note: in expansion of macro ‘SWIG_fail’
17879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17930:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17930 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17930:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17930 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_DeleteData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17932:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17932 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_DeleteData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17932:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17932 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_DeleteData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17939 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17939:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17939 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17941:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17941 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17941:64: note: in expansion of macro ‘SWIG_fail’
17941 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17968:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17968 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17968:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17968 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17980:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17980 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17980:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17980 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17990:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17990 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17990:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17990 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17994:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17994 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17994:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17994 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18002:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18002 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18002:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18002 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18019 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18019:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18019 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18030:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18030 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18030:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18030 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18039:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18039 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18039:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18039 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18041:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18041 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18041:64: note: in expansion of macro ‘SWIG_fail’
18041 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18049:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18049:64: note: in expansion of macro ‘SWIG_fail’
18049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBCommentData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18103:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18103 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBCommentData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18103:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18103 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBCommentData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18105:64: note: in expansion of macro ‘SWIG_fail’
18105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18107:64: note: in expansion of macro ‘SWIG_fail’
18107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18122 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18122:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18122 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18133:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18133 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18133:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18133 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBCommentData_SetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18135:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBCommentData_SetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18137:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18137 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18137:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18137 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18139:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18139 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18139:64: note: in expansion of macro ‘SWIG_fail’
18139 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBExternalBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18179:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18179 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18179:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18179 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBExternalBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18202:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18202 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBExternalBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18202:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18202 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBExternalBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18204:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18204 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18204:64: note: in expansion of macro ‘SWIG_fail’
18204 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18206:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18206 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18206:64: note: in expansion of macro ‘SWIG_fail’
18206 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18208:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18208 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18208:64: note: in expansion of macro ‘SWIG_fail’
18208 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18358:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18358 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18358:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18358 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18370:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18370 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18370:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18370 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18372:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18372 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPairData_SetValue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18372:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18372 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPairData_SetValue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18374:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18374 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18374:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18374 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18376:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18376 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18376:64: note: in expansion of macro ‘SWIG_fail’
18376 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18441:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18441 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18441:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18441 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18455:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18455 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18455:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18455 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18467:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18467 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSetData_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18467:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18467 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSetData_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18469:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18469 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18469:64: note: in expansion of macro ‘SWIG_fail’
18469 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18473:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18473:64: note: in expansion of macro ‘SWIG_fail’
18473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetBegin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18480:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18480 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18480:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18480 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetEnd(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18489 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18489:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18489 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18508:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18508 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18508:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18508 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBVirtualBond__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18548:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18548 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18548:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18548 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBVirtualBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18558:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18558 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBVirtualBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18558:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18558 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBVirtualBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18560:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18560:64: note: in expansion of macro ‘SWIG_fail’
18560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18562:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18562 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18562:64: note: in expansion of macro ‘SWIG_fail’
18562 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18564:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18564 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18564:64: note: in expansion of macro ‘SWIG_fail’
18564 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRingData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18633:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRingData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18633:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRingData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18635:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18635:64: note: in expansion of macro ‘SWIG_fail’
18635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18637:64: note: in expansion of macro ‘SWIG_fail’
18637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBUnitCell(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBUnitCell", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18764:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBUnitCell", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18766:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18766 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18766:64: note: in expansion of macro ‘SWIG_fail’
18766 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18768:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18768:64: note: in expansion of macro ‘SWIG_fail’
18768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18842:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18842 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_SetData", 0, 7, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18842:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18842 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_SetData", 0, 7, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18844:64: note: in expansion of macro ‘SWIG_fail’
18844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18846 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18846:64: note: in expansion of macro ‘SWIG_fail’
18846 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18848:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18848 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18848:64: note: in expansion of macro ‘SWIG_fail’
18848 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_SetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18904:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18904 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18904:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18904 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18906:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18906 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18906:64: note: in expansion of macro ‘SWIG_fail’
18906 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetA(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18948:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18948 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetA", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18948:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18948 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetA", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18950:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18950 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18950:64: note: in expansion of macro ‘SWIG_fail’
18950 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18952:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18952 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18952:64: note: in expansion of macro ‘SWIG_fail’
18952 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetB(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18971:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18971 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetB", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18971:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18971 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetB", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18973:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18973 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18973:64: note: in expansion of macro ‘SWIG_fail’
18973 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18975:64: note: in expansion of macro ‘SWIG_fail’
18975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetC(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18994:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18994 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetC", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18994:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18994 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetC", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18996:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18996:64: note: in expansion of macro ‘SWIG_fail’
18996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18998:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18998:64: note: in expansion of macro ‘SWIG_fail’
18998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetAlpha(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetAlpha", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19018:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetAlpha", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19020:64: note: in expansion of macro ‘SWIG_fail’
19020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19022:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19022:64: note: in expansion of macro ‘SWIG_fail’
19022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetBeta(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19041:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19041 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetBeta", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19041:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19041 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetBeta", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19043:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19043 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19043:64: note: in expansion of macro ‘SWIG_fail’
19043 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19045:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19045:64: note: in expansion of macro ‘SWIG_fail’
19045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetGamma(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19065 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetGamma", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19065:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19065 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetGamma", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19067:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19067 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19067:64: note: in expansion of macro ‘SWIG_fail’
19067 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19069:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19069 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19069:64: note: in expansion of macro ‘SWIG_fail’
19069 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOffset(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19090:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOffset", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19090:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOffset", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19092:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19092 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19092:64: note: in expansion of macro ‘SWIG_fail’
19092 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19094:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19094:64: note: in expansion of macro ‘SWIG_fail’
19094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19118:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19118:64: note: in expansion of macro ‘SWIG_fail’
19118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19120:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19120 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19120:64: note: in expansion of macro ‘SWIG_fail’
19120 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroupName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19142:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19142 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19142:64: note: in expansion of macro ‘SWIG_fail’
19142 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19144:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19144 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19144:64: note: in expansion of macro ‘SWIG_fail’
19144 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetLatticeType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19190:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19190 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19190:64: note: in expansion of macro ‘SWIG_fail’
19190 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19192:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19192 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19192:64: note: in expansion of macro ‘SWIG_fail’
19192 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19194:64: note: in expansion of macro ‘SWIG_fail’
19194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19196:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19196:64: note: in expansion of macro ‘SWIG_fail’
19196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellVectors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19222:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19222 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19222:64: note: in expansion of macro ‘SWIG_fail’
19222 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19224:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19224:64: note: in expansion of macro ‘SWIG_fail’
19224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19247:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19247 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19247:64: note: in expansion of macro ‘SWIG_fail’
19247 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19249:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19249:64: note: in expansion of macro ‘SWIG_fail’
19249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOrthoMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19272:64: note: in expansion of macro ‘SWIG_fail’
19272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19274:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19274 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19274:64: note: in expansion of macro ‘SWIG_fail’
19274 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOrientationMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19297 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOrientationMatrix", 0, 1, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19297:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19297 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOrientationMatrix", 0, 1, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19299:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19299:64: note: in expansion of macro ‘SWIG_fail’
19299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19301:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19301 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19301:64: note: in expansion of macro ‘SWIG_fail’
19301 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetFractionalMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19324:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19324 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetFractionalMatrix", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19324:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19324 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetFractionalMatrix", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19326:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19326 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19326:64: note: in expansion of macro ‘SWIG_fail’
19326 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19328:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19328 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19328:64: note: in expansion of macro ‘SWIG_fail’
19328 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_FractionalToCartesian(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19364:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19364 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_FractionalToCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19364:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19364 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_FractionalToCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19366:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19366 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19366:64: note: in expansion of macro ‘SWIG_fail’
19366 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19368:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19368 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19368:64: note: in expansion of macro ‘SWIG_fail’
19368 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_CartesianToFractional(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19404:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19404 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_CartesianToFractional", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19404:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19404 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_CartesianToFractional", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19406:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19406 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19406:64: note: in expansion of macro ‘SWIG_fail’
19406 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19408:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19408 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19408:64: note: in expansion of macro ‘SWIG_fail’
19408 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_WrapCartesianCoordinate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19444:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19444 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapCartesianCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19444:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19444 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapCartesianCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19446:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19446 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19446:64: note: in expansion of macro ‘SWIG_fail’
19446 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19448:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19448 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19448:64: note: in expansion of macro ‘SWIG_fail’
19448 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_WrapFractionalCoordinate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapFractionalCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19485:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapFractionalCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19487:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19487:64: note: in expansion of macro ‘SWIG_fail’
19487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19489:64: note: in expansion of macro ‘SWIG_fail’
19489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_UnwrapCartesianNear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19538:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19538 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapCartesianNear", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19538:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19538 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapCartesianNear", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19540:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19540 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19540:64: note: in expansion of macro ‘SWIG_fail’
19540 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19542:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19542 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19542:64: note: in expansion of macro ‘SWIG_fail’
19542 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_UnwrapFractionalNear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19591:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19591 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapFractionalNear", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19591:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19591 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapFractionalNear", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19593:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19593 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19593:64: note: in expansion of macro ‘SWIG_fail’
19593 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19595:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19595 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19595:64: note: in expansion of macro ‘SWIG_fail’
19595 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_MinimumImageCartesian(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19632 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19632:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19632 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19634:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19634:64: note: in expansion of macro ‘SWIG_fail’
19634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19636:64: note: in expansion of macro ‘SWIG_fail’
19636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_MinimumImageFractional(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19672:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19672 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageFractional", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19672:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19672 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageFractional", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19674:64: note: in expansion of macro ‘SWIG_fail’
19674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19676:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19676:64: note: in expansion of macro ‘SWIG_fail’
19676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroupNumber(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19718:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19718 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetSpaceGroupNumber", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19718:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19718 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetSpaceGroupNumber", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19720:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19720 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19720:64: note: in expansion of macro ‘SWIG_fail’
19720 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19722:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19722 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19722:64: note: in expansion of macro ‘SWIG_fail’
19722 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19724:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19724 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19724:64: note: in expansion of macro ‘SWIG_fail’
19724 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19726:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19726 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19726:64: note: in expansion of macro ‘SWIG_fail’
19726 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellVolume(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19749:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19749 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19749:64: note: in expansion of macro ‘SWIG_fail’
19749 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19751:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19751 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19751:64: note: in expansion of macro ‘SWIG_fail’
19751 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConformerData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19783:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19783 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConformerData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19783:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19783 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConformerData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19785:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19785:64: note: in expansion of macro ‘SWIG_fail’
19785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19787:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19787 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19787:64: note: in expansion of macro ‘SWIG_fail’
19787 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSymmetryData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19959:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19959 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSymmetryData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19959:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19959 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSymmetryData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19961:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19961 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19961:64: note: in expansion of macro ‘SWIG_fail’
19961 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19963:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19963 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19963:64: note: in expansion of macro ‘SWIG_fail’
19963 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSymmetryData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19999:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19999 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSymmetryData_SetData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19999:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19999 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSymmetryData_SetData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20001:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20001 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20001:64: note: in expansion of macro ‘SWIG_fail’
20001 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20003:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20003 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20003:64: note: in expansion of macro ‘SWIG_fail’
20003 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20066:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20066 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBTorsion", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20066:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20066 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBTorsion", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20073:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20073 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20073:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20073 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20081:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20081 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20081:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20081 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_AddTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20133:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20133 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_AddTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20133:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20133 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_AddTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20135:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20135:64: note: in expansion of macro ‘SWIG_fail’
20135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20137:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20137 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20137:64: note: in expansion of macro ‘SWIG_fail’
20137 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_SetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20167:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20167 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_SetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20167:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20167 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_SetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20169:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20169 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20169:64: note: in expansion of macro ‘SWIG_fail’
20169 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20171:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20171:64: note: in expansion of macro ‘SWIG_fail’
20171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_GetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20215:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20215 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20215:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20215 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20217:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20217:64: note: in expansion of macro ‘SWIG_fail’
20217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20219:64: note: in expansion of macro ‘SWIG_fail’
20219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsionData_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20283:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20283 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20283:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20283 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20353:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20353 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAngle", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20353:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20353 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAngle", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20360:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20360 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20360:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20360 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngle_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20383:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20383 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20383:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20383 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngle_SetAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20438:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAngle_SetAtoms", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20438:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAngle_SetAtoms", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20440:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20440:64: note: in expansion of macro ‘SWIG_fail’
20440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20442:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20442:64: note: in expansion of macro ‘SWIG_fail’
20442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngleData_FillAngleArray(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20502:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20502 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20502:64: note: in expansion of macro ‘SWIG_fail’
20502 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20504:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20504:64: note: in expansion of macro ‘SWIG_fail’
20504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSerialNums(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20561:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20561 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSerialNums", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20561:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20561 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSerialNums", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20563:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20563 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20563:64: note: in expansion of macro ‘SWIG_fail’
20563 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20565:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20565 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20565:64: note: in expansion of macro ‘SWIG_fail’
20565 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20655:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20655 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20655:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20655 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20656 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20656:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20656 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20690:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20690 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20690:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20690 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20691:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20691 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20691:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20691 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20692 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20692:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20692 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20694:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20694 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVibrationData_SetData", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20694:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20694 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVibrationData_SetData", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20696:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20696:64: note: in expansion of macro ‘SWIG_fail’
20696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20698:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20698:64: note: in expansion of macro ‘SWIG_fail’
20698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBDOSData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20766 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20766:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20766 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDOSData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20802:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20802 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20802:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20802 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20803:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20803 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20803:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20803 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbital_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20886:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20886 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbital_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20886:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20886 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbital_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20888:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20888 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20888:64: note: in expansion of macro ‘SWIG_fail’
20888 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20890:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20890 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20890:64: note: in expansion of macro ‘SWIG_fail’
20890 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20892:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20892 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20892:64: note: in expansion of macro ‘SWIG_fail’
20892 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBOrbital(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20925 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20925:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20925 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_SetHOMO(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21013:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21013 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbitalData_SetHOMO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21013:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21013 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbitalData_SetHOMO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21015:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21015 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21015:64: note: in expansion of macro ‘SWIG_fail’
21015 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21017:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21017 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21017:64: note: in expansion of macro ‘SWIG_fail’
21017 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_GetAlphaOrbitals(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21056:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21056 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21056:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21056 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_GetBetaOrbitals(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21065 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21065:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21065 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetEDipole(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21193:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21193 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21193:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21193 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsVelocity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21209:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21209 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21209:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21209 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21225:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21225 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21225:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21225 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_GetRotatoryStrengthsVelocity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21259:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21259 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21259:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21259 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_GetRotatoryStrengthsLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21269:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21269 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21269:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21269 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVectorData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21397:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21397 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVectorData_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21397:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21397 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVectorData_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21399:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21399 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21399:64: note: in expansion of macro ‘SWIG_fail’
21399 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21401:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21401 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21401:64: note: in expansion of macro ‘SWIG_fail’
21401 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBFreeGridPoint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21492:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21492 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBFreeGridPoint", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21492:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21492 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBFreeGridPoint", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21494:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21494 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21494:64: note: in expansion of macro ‘SWIG_fail’
21494 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21496:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21496 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21496:64: note: in expansion of macro ‘SWIG_fail’
21496 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPcharge(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21700 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21700:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21700 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetAxes(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21910:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21910 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetAxes", 0, 4, argv))) SWIG_fail; --argc; if (argc == 4) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21910:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21910 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetAxes", 0, 4, argv))) SWIG_fail; --argc; if (argc == 4) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21912:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21912 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21912:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21912 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21917:64: note: in expansion of macro ‘SWIG_fail’
21917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetNumberOfPoints(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21955:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21955 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21955:64: note: in expansion of macro ‘SWIG_fail’
21955 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21957:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21957 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21957:64: note: in expansion of macro ‘SWIG_fail’
21957 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22010:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22010 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetValue", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22010:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22010 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetValue", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22012:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22012 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22012:64: note: in expansion of macro ‘SWIG_fail’
22012 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22014:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22014 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22014:64: note: in expansion of macro ‘SWIG_fail’
22014 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetOriginVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22063:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22063 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22063:64: note: in expansion of macro ‘SWIG_fail’
22063 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22065:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22065 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22065:64: note: in expansion of macro ‘SWIG_fail’
22065 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_SetLimits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22161:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22161 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_SetLimits", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22161:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22161 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_SetLimits", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22165:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22165 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22165:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22165 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22168:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22168 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22168:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22168 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22170:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22170 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22170:64: note: in expansion of macro ‘SWIG_fail’
22170 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_SetValues(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22207:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22207 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22207:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22207 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChainsParser_PerceiveChains(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22296:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22296 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBChainsParser_PerceiveChains", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22296:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22296 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBChainsParser_PerceiveChains", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22298:64: note: in expansion of macro ‘SWIG_fail’
22298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22300:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22300 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22300:64: note: in expansion of macro ‘SWIG_fail’
22300 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAtomTyper(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22342:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAtomTyper", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22342:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAtomTyper", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22344:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22344 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22344:64: note: in expansion of macro ‘SWIG_fail’
22344 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22346:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22346 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22346:64: note: in expansion of macro ‘SWIG_fail’
22346 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_dummy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22489:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22489 |   std::binary_function< char const *,char const *,bool > *result = 0 ; (void)self;
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22491:18: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22491 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22491:79: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22491 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                               ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_dummy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22495:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22495 |   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22495:72: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22495 |   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |                                                                        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22500:34: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22500 |    arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1;
      |                                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CharPtrLess___call__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22529:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22529 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22529:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22529 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22530 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22530:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22530 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPlugin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22557:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22557 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22557:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22557 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22596:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22596 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22596:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22596 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22597:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22597 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22597:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22597 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22614:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22614 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22614:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22614 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22616:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22616 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22616:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22616 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22618:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22618 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22618:64: note: in expansion of macro ‘SWIG_fail’
22618 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22620:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22620 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22620:64: note: in expansion of macro ‘SWIG_fail’
22620 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_MakeInstance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22639:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22639 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22639:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22639 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22642:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22642 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22642:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22642 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_GetPlugin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22659 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22659:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22659 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22660 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22660:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22660 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22686:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22686 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22686:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22686 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22687:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22687 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22687:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22687 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_List__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22716:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22716 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22716:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22716 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22720:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22720 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22720:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22720 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_List(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22722:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22722 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_List", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22722:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22722 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_List", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22725:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22725 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22725:64: note: in expansion of macro ‘SWIG_fail’
22725 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsString__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22741 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22741:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22741 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22742:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22742 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22742:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22742 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22752 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_ListAsString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22752:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22752 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_ListAsString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22754:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22754 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22754:64: note: in expansion of macro ‘SWIG_fail’
22754 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22756:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22756 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22756:64: note: in expansion of macro ‘SWIG_fail’
22756 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_FirstLine(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22762:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22762 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22762:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22762 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Begin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22776:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22776:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_End(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22785:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22785 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22785:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22785 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_LoadAllPlugins(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22796 |   if (!SWIG_Python_UnpackTuple(args, "OBPlugin_LoadAllPlugins", 0, 0, 0)) SWIG_fail; OpenBabel::OBPlugin::LoadAllPlugins();
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22796:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22796 |   if (!SWIG_Python_UnpackTuple(args, "OBPlugin_LoadAllPlugins", 0, 0, 0)) SWIG_fail; OpenBabel::OBPlugin::LoadAllPlugins();
      |                                                                                      ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_stringbuf(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22812:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22812 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22812:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22812 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22832:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22832 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22832:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22832 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22862:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22862 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22862:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22862 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22863:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22863 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22863:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22863 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22864:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22864 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22864:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22864 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22865:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22865 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22865:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22865 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22897 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22897 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22898:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22898 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22898:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22898 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22899:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22899 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22899:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22899 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22900:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22900 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22900:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22900 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22904:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22904 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22904:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22904 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22927 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22927:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22927 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22928:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22928 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22928:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22928 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22929:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22929 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22929:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22929 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22951:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22951 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22951:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22951 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22953:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22953 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22953:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22953 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22969:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22969 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22969:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22969 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22970:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22970 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22970:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22970 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_5(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22973:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22973 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22973:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22973 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22980:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22980 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22980:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22980 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22987:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBError", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22987:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBError", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22990:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22990 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22990:64: note: in expansion of macro ‘SWIG_fail’
22990 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22993:64: note: in expansion of macro ‘SWIG_fail’
22993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22996:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22996:64: note: in expansion of macro ‘SWIG_fail’
22996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___lshift__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23032 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__lshift__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23032:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23032 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__lshift__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23034:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23034 |      if (!_v) goto check_1; return _wrap___lshift____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23034:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23034 |      if (!_v) goto check_1; return _wrap___lshift____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23041:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23041 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23041:64: note: in expansion of macro ‘SWIG_fail’
23041 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23104 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23104:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23104 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23187:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23187 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23187:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23187 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23188:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23188 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23188:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23188 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23209:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23209 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23209:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23209 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23210:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23210 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23210:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23210 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23228:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23228 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23228:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23228 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23229:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23229 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23229:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23229 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23233 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23233:64: note: in expansion of macro ‘SWIG_fail’
23233 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23235:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23235 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23235:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23235 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23238:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23238 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23238:64: note: in expansion of macro ‘SWIG_fail’
23238 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23240:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23240 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23240:64: note: in expansion of macro ‘SWIG_fail’
23240 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23242:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23242 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23242:64: note: in expansion of macro ‘SWIG_fail’
23242 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_obLogBuf(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23419:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23419 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23419:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23419 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23452:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23452 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23452:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23452 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23578:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23578 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23578:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23578 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23579:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23579 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23579:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23579 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23590:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23590 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23590:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23590 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23592:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23592 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_RegisterFormat", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23592:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23592 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_RegisterFormat", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23594:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23594:64: note: in expansion of macro ‘SWIG_fail’
23594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23596:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23596 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23596:64: note: in expansion of macro ‘SWIG_fail’
23596 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23620:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23620 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23620:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23620 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23621:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23621 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23621:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23621 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23638:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23638 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23638:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23638 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23640:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23640 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23640:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23640 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23642:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23642:64: note: in expansion of macro ‘SWIG_fail’
23642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23644:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23644:64: note: in expansion of macro ‘SWIG_fail’
23644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_FormatFromMIME(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23656 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23656:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23656 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23659 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23659:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23659 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23674:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23674 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__istream, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23674:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23674 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__istream, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23698:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23698 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23698:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23698 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23710 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23710:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23710 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23728:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConversion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23728:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConversion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23730:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23730:64: note: in expansion of macro ‘SWIG_fail’
23730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23736:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23736:64: note: in expansion of macro ‘SWIG_fail’
23736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23739 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23739:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23739 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23741:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23741 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23741:64: note: in expansion of macro ‘SWIG_fail’
23741 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23771:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23771 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23771:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23771 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23772:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23772 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23772:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23772 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23776:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23776 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23776:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23776 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23785:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23785 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23785:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23785 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23789:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23789 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23789:64: note: in expansion of macro ‘SWIG_fail’
23789 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23791:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23791 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23791:64: note: in expansion of macro ‘SWIG_fail’
23791 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23804:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23804 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23804:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23804 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23807 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23807:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23807 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23815:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23815 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_FindFormat", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23815:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23815 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_FindFormat", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23817:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23817 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23817:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23817 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23819:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23819 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23819:64: note: in expansion of macro ‘SWIG_fail’
23819 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23831:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23831 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23831:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23831 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23845:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23845 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23845:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23845 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23848:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23848 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23848:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23848 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23872:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23872 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23872:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23872 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23874:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23874:64: note: in expansion of macro ‘SWIG_fail’
23874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23877:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23877:64: note: in expansion of macro ‘SWIG_fail’
23877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23879:64: note: in expansion of macro ‘SWIG_fail’
23879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromMIME(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23893:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23893 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23893:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23893 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInStream(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23943:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23943 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23943:64: note: in expansion of macro ‘SWIG_fail’
23943 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23945:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23945 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23945:64: note: in expansion of macro ‘SWIG_fail’
23945 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutStream(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23976:64: note: in expansion of macro ‘SWIG_fail’
23976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23978:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23978 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23978:64: note: in expansion of macro ‘SWIG_fail’
23978 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24002:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24002 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24002:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24002 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24003:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24003 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24003:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24003 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24021:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24021 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24021:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24021 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24022:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24022 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24022:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24022 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24037:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24037 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24037:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24037 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24038:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24038 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24038:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24038 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24094:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24094 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetInAndOutFormats", 0, 5, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24094:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24094 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetInAndOutFormats", 0, 5, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24098:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24098 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24098:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24098 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24100:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24100:64: note: in expansion of macro ‘SWIG_fail’
24100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24102:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24102 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24102:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24102 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24105:64: note: in expansion of macro ‘SWIG_fail’
24105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24107:64: note: in expansion of macro ‘SWIG_fail’
24107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24109:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24109 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24109:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24109 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24112:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24112 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_5: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24112:64: note: in expansion of macro ‘SWIG_fail’
24112 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_5: if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24114:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24114 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24114:64: note: in expansion of macro ‘SWIG_fail’
24114 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24135 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24135:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24135 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24147:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24147 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24147:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24147 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24178:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24178 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24178:64: note: in expansion of macro ‘SWIG_fail’
24178 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24180:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24180 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24180:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24180 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24181:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24181 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24181:64: note: in expansion of macro ‘SWIG_fail’
24181 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24183:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24183 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24183:64: note: in expansion of macro ‘SWIG_fail’
24183 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24202:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24202 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24202:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24202 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24214:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24214 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24214:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24214 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24245:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24245 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24245:64: note: in expansion of macro ‘SWIG_fail’
24245 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24247:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24247 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24247:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24247 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24248:64: note: in expansion of macro ‘SWIG_fail’
24248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24250:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24250:64: note: in expansion of macro ‘SWIG_fail’
24250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24363:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24363 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24363:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24363 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24375:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24375 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24375:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24375 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24377:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24377 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_IsOption", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24377:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24377 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_IsOption", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24379:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24379 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24379:64: note: in expansion of macro ‘SWIG_fail’
24379 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24381:64: note: in expansion of macro ‘SWIG_fail’
24381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24431:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24431 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24431:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24431 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24442:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24442 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24442:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24442 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24444:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24444 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_AddOption", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24444:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24444 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_AddOption", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24446:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24446 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24446:64: note: in expansion of macro ‘SWIG_fail’
24446 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24448:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24448 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24448:64: note: in expansion of macro ‘SWIG_fail’
24448 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24450:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24450 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24450:64: note: in expansion of macro ‘SWIG_fail’
24450 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RemoveOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24470:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24470 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24470:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24470 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOptions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24485 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24485:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24485 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterOptionParam(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24529:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24529 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_RegisterOptionParam", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24529:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24529 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_RegisterOptionParam", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24531:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24531 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24531:64: note: in expansion of macro ‘SWIG_fail’
24531 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24533:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24533 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24533:64: note: in expansion of macro ‘SWIG_fail’
24533 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24535:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24535 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24535:64: note: in expansion of macro ‘SWIG_fail’
24535 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_CopyOptions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24580 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24580:64: note: in expansion of macro ‘SWIG_fail’
24580 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24582:64: note: in expansion of macro ‘SWIG_fail’
24582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Convert(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24626:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24626 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Convert", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24626:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24626 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Convert", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24628:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24628 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24628:64: note: in expansion of macro ‘SWIG_fail’
24628 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24630:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24630 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24630:64: note: in expansion of macro ‘SWIG_fail’
24630 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetFirstInput(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24713:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24713 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24713:64: note: in expansion of macro ‘SWIG_fail’
24713 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24715 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24715:64: note: in expansion of macro ‘SWIG_fail’
24715 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOneObjectOnly(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetOneObjectOnly", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24764:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetOneObjectOnly", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24766:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24766 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24766:64: note: in expansion of macro ‘SWIG_fail’
24766 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24768:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24768:64: note: in expansion of macro ‘SWIG_fail’
24768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Write(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24830:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24830 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Write", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24830:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24830 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Write", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24832:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24832:64: note: in expansion of macro ‘SWIG_fail’
24832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24834:64: note: in expansion of macro ‘SWIG_fail’
24834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_WriteString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24866:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24866 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24866:64: note: in expansion of macro ‘SWIG_fail’
24866 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24868:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24868 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24868:64: note: in expansion of macro ‘SWIG_fail’
24868 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Read(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24920:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24920 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Read", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24920:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24920 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Read", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24922:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24922:64: note: in expansion of macro ‘SWIG_fail’
24922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24924:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24924 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24924:64: note: in expansion of macro ‘SWIG_fail’
24924 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_ReportNumberConverted(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24996:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24996 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_ReportNumberConverted", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24996:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24996 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_ReportNumberConverted", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24998:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24998:64: note: in expansion of macro ‘SWIG_fail’
24998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25000:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25000:64: note: in expansion of macro ‘SWIG_fail’
25000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtomAssignTypicalImplicitHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25047:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25047 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25047:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25047 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetExactMass__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25081:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25081 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25081:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25081 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetExactMass(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25086:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25086 |   if (!(argc = SWIG_Python_UnpackTuple(args, "GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25086:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25086 |   if (!(argc = SWIG_Python_UnpackTuple(args, "GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25089:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25089 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25089:64: note: in expansion of macro ‘SWIG_fail’
25089 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetAllredRochowElectroNeg(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25102:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25102 |   if (!args) SWIG_fail; swig_obj[0] = args; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25102:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25102 |   if (!args) SWIG_fail; swig_obj[0] = args; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25928:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25928 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBResidue", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25928:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25928 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBResidue", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25931:64: note: in expansion of macro ‘SWIG_fail’
25931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25937:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25937 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25937:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25937 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25988:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25988 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25988:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25988 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetNum(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26010:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26010 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_SetNum", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26010:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26010 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_SetNum", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26014:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26014 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26014:64: note: in expansion of macro ‘SWIG_fail’
26014 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetAtomID(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26076:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26076 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26076:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26076 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26188:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26188 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_GetBonds", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26188:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26188 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_GetBonds", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26190:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26190 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26190:64: note: in expansion of macro ‘SWIG_fail’
26190 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26192:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26192 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26192:64: note: in expansion of macro ‘SWIG_fail’
26192 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_BeginAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26287:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26287 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26287:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26287 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_EndAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26296:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26296 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26296:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26296 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26488:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26488 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26488:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26488 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26571:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26571 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBInternalCoord", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26571:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26571 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBInternalCoord", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26573:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26573 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26573:64: note: in expansion of macro ‘SWIG_fail’
26573 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26575:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26575 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26575:64: note: in expansion of macro ‘SWIG_fail’
26575 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26577:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26577 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26577:64: note: in expansion of macro ‘SWIG_fail’
26577 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26579:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26579 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26579:64: note: in expansion of macro ‘SWIG_fail’
26579 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26581:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26581 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26581:64: note: in expansion of macro ‘SWIG_fail’
26581 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26583:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26583 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26583:64: note: in expansion of macro ‘SWIG_fail’
26583 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26585:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26585:64: note: in expansion of macro ‘SWIG_fail’
26585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26638:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26638 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26638:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26638 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26754:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26754 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26754:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26754 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26766 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26766:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26766 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26768:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26768 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26768:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26768 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26772:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26772 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26772:64: note: in expansion of macro ‘SWIG_fail’
26772 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetVector__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26827:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26827 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26827:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26827 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26833:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26833 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetVector", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26833:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26833 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetVector", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26835:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26835 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26835:64: note: in expansion of macro ‘SWIG_fail’
26835 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26837:64: note: in expansion of macro ‘SWIG_fail’
26837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26839:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26839 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26839:64: note: in expansion of macro ‘SWIG_fail’
26839 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetAromatic__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26877 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26877:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26877 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetAromatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26883:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26883 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26883:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26883 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26885:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26885 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26885:64: note: in expansion of macro ‘SWIG_fail’
26885 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26887:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26887 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26887:64: note: in expansion of macro ‘SWIG_fail’
26887 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetInRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26902:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26902 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26902:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26902 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetInRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26908:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26908 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26908:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26908 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26910:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26910 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26910:64: note: in expansion of macro ‘SWIG_fail’
26910 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26912:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26912 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26912:64: note: in expansion of macro ‘SWIG_fail’
26912 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ClearCoordPtr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26918:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26918 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26918:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26918 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27134:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27134 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetVector", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27134:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27134 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetVector", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27136:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27136 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27136:64: note: in expansion of macro ‘SWIG_fail’
27136 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27138:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27138 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27138:64: note: in expansion of macro ‘SWIG_fail’
27138 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_BeginBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27196:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27196 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27196:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27196 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_EndBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27205:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27205 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27205:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27205 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetDistance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27303:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27303 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetDistance", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27303:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27303 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetDistance", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27305:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27305 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27305:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27305 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27307:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27307 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27307:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27307 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27309:64: note: in expansion of macro ‘SWIG_fail’
27309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27317 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27317:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27317 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27330:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27330 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27330:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27330 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27342:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27342:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0; {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27344:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27344 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27344:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27344 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27347:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27347 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27347:64: note: in expansion of macro ‘SWIG_fail’
27347 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_NewResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27353:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27353 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27353:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27353 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_DeleteResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27371:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27371 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27371:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27371 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ClearBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27418:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27418 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27418:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27418 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ExplicitHydrogenCount(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27477:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27477 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27477:64: note: in expansion of macro ‘SWIG_fail’
27477 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27479:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27479 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27479:64: note: in expansion of macro ‘SWIG_fail’
27479 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_HasAlphaBetaUnsat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27750:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27750:64: note: in expansion of macro ‘SWIG_fail’
27750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27752:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27752 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27752:64: note: in expansion of macro ‘SWIG_fail’
27752 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_MatchesSMARTS(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27824:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27824 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27824:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27824 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27860:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27860 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27860:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27860 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27949:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27949 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetLength", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27949:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27949 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetLength", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27951:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27951 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27951:64: note: in expansion of macro ‘SWIG_fail’
27951 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27953:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27953 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27953:64: note: in expansion of macro ‘SWIG_fail’
27953 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetAromatic__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27990:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27990 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27990:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27990 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetAromatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27996:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27996 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27996:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27996 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27998:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27998:64: note: in expansion of macro ‘SWIG_fail’
27998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28000:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28000:64: note: in expansion of macro ‘SWIG_fail’
28000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedge__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28015 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28015:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28015 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedge(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28021:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28021 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedge", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28021:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28021 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedge", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28023:64: note: in expansion of macro ‘SWIG_fail’
28023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28025:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28025:64: note: in expansion of macro ‘SWIG_fail’
28025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetHash__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28040 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28040:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28040 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetHash(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28046:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28046 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28046:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28046 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28048:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28048:64: note: in expansion of macro ‘SWIG_fail’
28048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28050:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28050 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28050:64: note: in expansion of macro ‘SWIG_fail’
28050 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedgeOrHash__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28066:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28066 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28066:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28066 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedgeOrHash(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28072:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28072 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedgeOrHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28072:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28072 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedgeOrHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28074:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28074:64: note: in expansion of macro ‘SWIG_fail’
28074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28076:64: note: in expansion of macro ‘SWIG_fail’
28076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetInRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28091:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28091 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28091:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28091 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetInRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28097 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28097:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28097 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28099:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28099 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28099:64: note: in expansion of macro ‘SWIG_fail’
28099 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28101:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28101 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28101:64: note: in expansion of macro ‘SWIG_fail’
28101 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetClosure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28116:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28116 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28116:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28116 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetClosure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28122 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetClosure", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28122:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28122 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetClosure", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28124:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28124 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28124:64: note: in expansion of macro ‘SWIG_fail’
28124 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28126:64: note: in expansion of macro ‘SWIG_fail’
28126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_GetBeginAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28193:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28193 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetBeginAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28193:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28193 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetBeginAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28195:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28195 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28195:64: note: in expansion of macro ‘SWIG_fail’
28195 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28197:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28197 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28197:64: note: in expansion of macro ‘SWIG_fail’
28197 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_GetEndAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28219:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28219 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetEndAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28219:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28219 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetEndAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28221:64: note: in expansion of macro ‘SWIG_fail’
28221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28223:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28223 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28223:64: note: in expansion of macro ‘SWIG_fail’
28223 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_IsRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28313:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28313 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_IsRotor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28313:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28313 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_IsRotor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28315 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28315:64: note: in expansion of macro ‘SWIG_fail’
28315 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28317:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28317 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28317:64: note: in expansion of macro ‘SWIG_fail’
28317 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28578:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28578 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28578:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28578 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetComment(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28591:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28591 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28591:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28591 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetReversible(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28620:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28620 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28620:64: note: in expansion of macro ‘SWIG_fail’
28620 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28622:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28622 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28622:64: note: in expansion of macro ‘SWIG_fail’
28622 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReactionFacade_AssignComponentIds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28685:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28685 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBReactionFacade_AssignComponentIds", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28685:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28685 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBReactionFacade_AssignComponentIds", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28687:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28687 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28687:64: note: in expansion of macro ‘SWIG_fail’
28687 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28689:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28689 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28689:64: note: in expansion of macro ‘SWIG_fail’
28689 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28834:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28834 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28834:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28834 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28844 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMol", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28844:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28844 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMol", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28847:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28847 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28847:64: note: in expansion of macro ‘SWIG_fail’
28847 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28853 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28853:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28853 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddAtom__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28917:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28917 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28917:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28917 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28943:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28943 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28943:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28943 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28946:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28946:64: note: in expansion of macro ‘SWIG_fail’
28946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28967 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28967:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28967 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29001:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29001 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29001:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29001 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29025:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29025 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddBond", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29025:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29025 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddBond", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29028:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29028:64: note: in expansion of macro ‘SWIG_fail’
29028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29031:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29031 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29031:64: note: in expansion of macro ‘SWIG_fail’
29031 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewAtom__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29060 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29060:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29060 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29070:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29070 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewAtom", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29070:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29070 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewAtom", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29073:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29073 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29073:64: note: in expansion of macro ‘SWIG_fail’
29073 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29088:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29088 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29088:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29088 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29098:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29098 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29098:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29098 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29101:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29101 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29101:64: note: in expansion of macro ‘SWIG_fail’
29101 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteAtom__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29130:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29130 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29130:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29130 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29139:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29139 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29139:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29139 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29141:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29141 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29141:64: note: in expansion of macro ‘SWIG_fail’
29141 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29143:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29143:64: note: in expansion of macro ‘SWIG_fail’
29143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29164:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29164 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29164:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29164 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29173:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29173 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29173:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29173 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29175:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29175 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29175:64: note: in expansion of macro ‘SWIG_fail’
29175 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29177:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29177:64: note: in expansion of macro ‘SWIG_fail’
29177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29207:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29207 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteResidue", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29207:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29207 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteResidue", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29209:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29209:64: note: in expansion of macro ‘SWIG_fail’
29209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29211:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29211 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29211:64: note: in expansion of macro ‘SWIG_fail’
29211 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_BeginModify(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29217:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29217 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29217:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29217 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_EndModify__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29232:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29232 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29232:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29232 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_EndModify(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29238:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29238 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_EndModify", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29238:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29238 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_EndModify", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29240:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29240 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29240:64: note: in expansion of macro ‘SWIG_fail’
29240 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29242:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29242 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29242:64: note: in expansion of macro ‘SWIG_fail’
29242 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_IncrementMod(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29255:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29255 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29255:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29255 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DecrementMod(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29262 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29262:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29262 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29291:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29291 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29291:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29291 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29293:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29293:64: note: in expansion of macro ‘SWIG_fail’
29293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29295:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29295 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29295:64: note: in expansion of macro ‘SWIG_fail’
29295 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NumRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29344:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29344 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NumRotors", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29344:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29344 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NumRotors", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29346:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29346 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29346:64: note: in expansion of macro ‘SWIG_fail’
29346 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29348:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29348:64: note: in expansion of macro ‘SWIG_fail’
29348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29411:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29411 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29411:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29411 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29438:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29438:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29442:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29442 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29442:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29442 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29445:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29445 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29445:64: note: in expansion of macro ‘SWIG_fail’
29445 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29464:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29464 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29464:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29464 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTorsion__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29491:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29491 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29491:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29491 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29509:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29509 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29509:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29509 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29511:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29511 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29511:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29511 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29514:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29514 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29514:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29514 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29517:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29517 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29517:64: note: in expansion of macro ‘SWIG_fail’
29517 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetSpacedFormula(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29608:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29608 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetSpacedFormula", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29608:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29608 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetSpacedFormula", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29610:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29610 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29610:64: note: in expansion of macro ‘SWIG_fail’
29610 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29612:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29612 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29612:64: note: in expansion of macro ‘SWIG_fail’
29612 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29614:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29614 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29614:64: note: in expansion of macro ‘SWIG_fail’
29614 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29616:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29616 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29616:64: note: in expansion of macro ‘SWIG_fail’
29616 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetMolWt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29645:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29645 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetMolWt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29645:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29645 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetMolWt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29647:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29647 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29647:64: note: in expansion of macro ‘SWIG_fail’
29647 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29649:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29649 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29649:64: note: in expansion of macro ‘SWIG_fail’
29649 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetExactMass(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29670:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29670 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29670:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29670 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29672:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29672 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29672:64: note: in expansion of macro ‘SWIG_fail’
29672 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29674:64: note: in expansion of macro ‘SWIG_fail’
29674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTitle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29748:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29748 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29748:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29748 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29762:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29762 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29762:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29762 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29766:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29766 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29766:64: note: in expansion of macro ‘SWIG_fail’
29766 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAromaticPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29865:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29865 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29865:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29865 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAromaticPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29873:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29873:64: note: in expansion of macro ‘SWIG_fail’
29873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29875:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29875:64: note: in expansion of macro ‘SWIG_fail’
29875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSSSRPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29890:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29890 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29890:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29890 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSSSRPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29896:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29896 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29896:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29896 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29898:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29898 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29898:64: note: in expansion of macro ‘SWIG_fail’
29898 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29900:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29900 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29900:64: note: in expansion of macro ‘SWIG_fail’
29900 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetLSSRPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29915:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29915 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29915:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29915 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetLSSRPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29921:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29921 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetLSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29921:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29921 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetLSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29923:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29923 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29923:64: note: in expansion of macro ‘SWIG_fail’
29923 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29925:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29925 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29925:64: note: in expansion of macro ‘SWIG_fail’
29925 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingAtomsAndBondsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29940 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29940:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29940 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingAtomsAndBondsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29947:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29947 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetRingAtomsAndBondsPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29947:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29947 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetRingAtomsAndBondsPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29949:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29949 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29949:64: note: in expansion of macro ‘SWIG_fail’
29949 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29951:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29951 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29951:64: note: in expansion of macro ‘SWIG_fail’
29951 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAtomTypesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29966 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29966:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29966 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAtomTypesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29974:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29974 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29974:64: note: in expansion of macro ‘SWIG_fail’
29974 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29976:64: note: in expansion of macro ‘SWIG_fail’
29976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingTypesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29991:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29991 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29991:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29991 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingTypesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29999:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29999 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29999:64: note: in expansion of macro ‘SWIG_fail’
29999 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30001:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30001 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30001:64: note: in expansion of macro ‘SWIG_fail’
30001 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChainsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30016 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30016:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30016 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChainsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30024:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30024 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30024:64: note: in expansion of macro ‘SWIG_fail’
30024 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30026:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30026 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30026:64: note: in expansion of macro ‘SWIG_fail’
30026 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChiralityPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30041:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30041 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30041:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30041 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChiralityPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30049:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30049:64: note: in expansion of macro ‘SWIG_fail’
30049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30051:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30051 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30051:64: note: in expansion of macro ‘SWIG_fail’
30051 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPartialChargesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30066:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30066 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30066:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30066 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPartialChargesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30073:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30073 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPartialChargesPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30073:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30073 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPartialChargesPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30075:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30075 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30075:64: note: in expansion of macro ‘SWIG_fail’
30075 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30077:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30077:64: note: in expansion of macro ‘SWIG_fail’
30077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHybridizationPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30092:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30092 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30092:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30092 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHybridizationPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30099:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30099 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHybridizationPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30099:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30099 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHybridizationPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30101:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30101 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30101:64: note: in expansion of macro ‘SWIG_fail’
30101 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30103:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30103 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30103:64: note: in expansion of macro ‘SWIG_fail’
30103 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetClosureBondsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30118:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30118 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30118:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30118 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetClosureBondsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetClosureBondsPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30125:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetClosureBondsPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30127:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30127:64: note: in expansion of macro ‘SWIG_fail’
30127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30129:64: note: in expansion of macro ‘SWIG_fail’
30129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHydrogensAdded__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30144:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30144 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30144:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30144 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHydrogensAdded(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30150:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30150 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHydrogensAdded", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30150:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30150 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHydrogensAdded", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30152:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30152 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30152:64: note: in expansion of macro ‘SWIG_fail’
30152 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30154:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30154 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30154:64: note: in expansion of macro ‘SWIG_fail’
30154 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetCorrectedForPH__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30169 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30169:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30169 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetCorrectedForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30175:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30175 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetCorrectedForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30175:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30175 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetCorrectedForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30177:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30177:64: note: in expansion of macro ‘SWIG_fail’
30177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30179:64: note: in expansion of macro ‘SWIG_fail’
30179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSpinMultiplicityAssigned__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30194:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30194 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30194:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30194 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSpinMultiplicityAssigned(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30201:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30201 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSpinMultiplicityAssigned", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30201:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30201 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSpinMultiplicityAssigned", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30203:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30203 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30203:64: note: in expansion of macro ‘SWIG_fail’
30203 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30205:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30205 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30205:64: note: in expansion of macro ‘SWIG_fail’
30205 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsPatternStructure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30220:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30220 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30220:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30220 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsPatternStructure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30228:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30228 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30228:64: note: in expansion of macro ‘SWIG_fail’
30228 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30230:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30230 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30230:64: note: in expansion of macro ‘SWIG_fail’
30230 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsReaction__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30245:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30245 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30245:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30245 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsReaction(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30251 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetIsReaction", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30251:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30251 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetIsReaction", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30253:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30253 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30253:64: note: in expansion of macro ‘SWIG_fail’
30253 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30255:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30255 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30255:64: note: in expansion of macro ‘SWIG_fail’
30255 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPeriodicMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30270:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30270 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30270:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30270 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPeriodicMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30276:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30276 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPeriodicMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30276:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30276 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPeriodicMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30278:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30278 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30278:64: note: in expansion of macro ‘SWIG_fail’
30278 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30280:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30280:64: note: in expansion of macro ‘SWIG_fail’
30280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_RenumberAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30348:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30348 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_RenumberAtoms", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30348:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30348 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_RenumberAtoms", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30353:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30353:64: note: in expansion of macro ‘SWIG_fail’
30353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30372:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30372 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30372:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30372 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30384:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30384 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30384:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30384 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30390:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30390 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_ToInertialFrame", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30390:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30390 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_ToInertialFrame", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30392:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30392:64: note: in expansion of macro ‘SWIG_fail’
30392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30394:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30394 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30394:64: note: in expansion of macro ‘SWIG_fail’
30394 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30413:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30413 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30413:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30413 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Translate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30427:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30427 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30427:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30427 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30429:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30429:64: note: in expansion of macro ‘SWIG_fail’
30429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30431:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30431 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30431:64: note: in expansion of macro ‘SWIG_fail’
30431 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Rotate__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30459:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30459 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30459:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30459 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Rotate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30470:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30470 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Rotate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30470:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30470 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Rotate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30472:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30472 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30472:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30472 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30475:64: note: in expansion of macro ‘SWIG_fail’
30475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Center__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30481:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30481 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30481:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30481 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30496:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30496 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30496:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30496 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30505:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30505 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteHydrogens", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30505:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30505 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteHydrogens", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30507:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30507 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30507:64: note: in expansion of macro ‘SWIG_fail’
30507 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30509:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30509 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30509:64: note: in expansion of macro ‘SWIG_fail’
30509 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30555:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30555 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30555:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30555 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30583:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30583 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30583:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30583 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30592:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30592 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30592:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30592 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30594:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30594:64: note: in expansion of macro ‘SWIG_fail’
30594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30596:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30596 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30596:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30596 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30598:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30598 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30598:64: note: in expansion of macro ‘SWIG_fail’
30598 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30600:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30600 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30600:64: note: in expansion of macro ‘SWIG_fail’
30600 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30602:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30602 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30602:64: note: in expansion of macro ‘SWIG_fail’
30602 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddNewHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30638:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30638 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30638:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30638 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddNewHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30657:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30657 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddNewHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30657:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30657 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddNewHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30659:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30659 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30659:64: note: in expansion of macro ‘SWIG_fail’
30659 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30661:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30661 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30661:64: note: in expansion of macro ‘SWIG_fail’
30661 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30663:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30663 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30663:64: note: in expansion of macro ‘SWIG_fail’
30663 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_StripSalts(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30686:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30686 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_StripSalts", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30686:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30686 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_StripSalts", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30688:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30688 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30688:64: note: in expansion of macro ‘SWIG_fail’
30688 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30690:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30690 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30690:64: note: in expansion of macro ‘SWIG_fail’
30690 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30697:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30697 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30697:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30697 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30708:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30708 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30708:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30708 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30715 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Separate", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30715:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30715 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Separate", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30717:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30717 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30717:64: note: in expansion of macro ‘SWIG_fail’
30717 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30719:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30719 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30719:64: note: in expansion of macro ‘SWIG_fail’
30719 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30781:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30781 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30781:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30781 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30809:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30809 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30809:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30809 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30865:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30865 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CopySubstructure", 0, 7, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30865:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30865 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CopySubstructure", 0, 7, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30867:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30867 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30867:64: note: in expansion of macro ‘SWIG_fail’
30867 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30869:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30869 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30869:64: note: in expansion of macro ‘SWIG_fail’
30869 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30871:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30871 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30871:64: note: in expansion of macro ‘SWIG_fail’
30871 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30873:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30873:64: note: in expansion of macro ‘SWIG_fail’
30873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30875:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30875:64: note: in expansion of macro ‘SWIG_fail’
30875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CorrectForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30922:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30922 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CorrectForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30922:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30922 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CorrectForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30924:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30924 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30924:64: note: in expansion of macro ‘SWIG_fail’
30924 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30926:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30926 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30926:64: note: in expansion of macro ‘SWIG_fail’
30926 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AssignSpinMultiplicity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30949:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30949 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30949:64: note: in expansion of macro ‘SWIG_fail’
30949 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30951:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30951 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30951:64: note: in expansion of macro ‘SWIG_fail’
30951 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Center(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30976:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30976 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Center", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30976:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30976 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Center", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30979:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30979:64: note: in expansion of macro ‘SWIG_fail’
30979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindSSSR(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31009:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31009 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31009:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31009 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindLSSR(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31016 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31016:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31016 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindRingAtomsAndBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31023:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31023 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31023:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31023 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ConnectTheDots(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31102:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31102 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31102:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31102 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_PerceiveBondOrders(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31109:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31109 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31109:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31109 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindAngles(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31116:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31116 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31116:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31116 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindTorsions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31123:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31123 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31123:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31123 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Has2D__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31178 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31178:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31178 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Has2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31184:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31184 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Has2D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31184:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31184 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Has2D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31187:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31187:64: note: in expansion of macro ‘SWIG_fail’
31187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetEnergy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31429:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31429 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetEnergy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31429:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31429 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetEnergy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31431:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31431 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31431:64: note: in expansion of macro ‘SWIG_fail’
31431 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31433:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31433:64: note: in expansion of macro ‘SWIG_fail’
31433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTorsion__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31518:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31518 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31518:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31518 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31534:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31534 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTorsion", 0, 6, argv))) SWIG_fail; --argc; if (argc == 6) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31534:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31534 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTorsion", 0, 6, argv))) SWIG_fail; --argc; if (argc == 6) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31536:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31536 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31536:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31536 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31539:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31539 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31539:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31539 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31541:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31541 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_1: if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31541:64: note: in expansion of macro ‘SWIG_fail’
31541 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_1: if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31543:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31543:64: note: in expansion of macro ‘SWIG_fail’
31543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_ThrowError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31564:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31564 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31564:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31564 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_ThrowError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31574:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31574 |   if (!(argc = SWIG_Python_UnpackTuple(args, "ThrowError", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31574:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31574 |   if (!(argc = SWIG_Python_UnpackTuple(args, "ThrowError", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) { int _v = 0; {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31578:64: note: in expansion of macro ‘SWIG_fail’
31578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRing__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31785:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31785 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31785:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31785 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31795:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31795 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31795:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31795 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31798:64: note: in expansion of macro ‘SWIG_fail’
31798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31802:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31802:64: note: in expansion of macro ‘SWIG_fail’
31802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31838 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31838:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31838 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_SetType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31852:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31852 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31852:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31852 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31856:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31856 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31856:64: note: in expansion of macro ‘SWIG_fail’
31856 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_IsMember(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31897 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_IsMember", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31897:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31897 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_IsMember", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31899:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31899 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31899:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31899 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31901:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31901 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31901:64: note: in expansion of macro ‘SWIG_fail’
31901 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31960:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31960 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31960:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31960 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRTree(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32104 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32104:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32104 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSmartsPattern(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32167:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32167 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSmartsPattern", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32167:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32167 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSmartsPattern", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32169:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32169 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32169:64: note: in expansion of macro ‘SWIG_fail’
32169 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32171:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32171:64: note: in expansion of macro ‘SWIG_fail’
32171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32186:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32186 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32186:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32186 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32199:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32199 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32199:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32199 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32201:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32201 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Init", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32201:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32201 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Init", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32203:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32203 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32203:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32203 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32205:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32205 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32205:64: note: in expansion of macro ‘SWIG_fail’
32205 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32383:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32383 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Match", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32383:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32383 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Match", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32385:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32385 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32385:64: note: in expansion of macro ‘SWIG_fail’
32385 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32389:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32389 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32389:64: note: in expansion of macro ‘SWIG_fail’
32389 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32391:64: note: in expansion of macro ‘SWIG_fail’
32391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_RestrictedMatch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32498:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32498 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_RestrictedMatch", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32498:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32498 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_RestrictedMatch", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32504:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32504:64: note: in expansion of macro ‘SWIG_fail’
32504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32508:64: note: in expansion of macro ‘SWIG_fail’
32508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32510:64: note: in expansion of macro ‘SWIG_fail’
32510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsMatcher_match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32655:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32655 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsMatcher_match", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32655:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32655 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsMatcher_match", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32657:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32657 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32657:64: note: in expansion of macro ‘SWIG_fail’
32657 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32659:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32659 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32659:64: note: in expansion of macro ‘SWIG_fail’
32659 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSSMatch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32693:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32693 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32693:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32693 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSSMatch_Match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32731:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32731 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSSMatch_Match", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32731:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32731 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSSMatch_Match", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32733:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32733:64: note: in expansion of macro ‘SWIG_fail’
32733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32735:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32735 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32735:64: note: in expansion of macro ‘SWIG_fail’
32735 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32789:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32789 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32789:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32789 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32799 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32799:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32799 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_SetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32801:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_SetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32805:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32805 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32805:64: note: in expansion of macro ‘SWIG_fail’
32805 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_GetAlias(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32827:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32827 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_GetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32827:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32827 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_GetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32829:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32829 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32829:64: note: in expansion of macro ‘SWIG_fail’
32829 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32831:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32831 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32831:64: note: in expansion of macro ‘SWIG_fail’
32831 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_AliasData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32885:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32885 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32885:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32885 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32916:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32916 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32916:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32916 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_GetBit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32960:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32960 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32960:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32960 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_GetFingerprint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33019:64: note: in expansion of macro ‘SWIG_fail’
33019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33021:64: note: in expansion of macro ‘SWIG_fail’
33021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_DescribeBits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33074:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33074:64: note: in expansion of macro ‘SWIG_fail’
33074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33076:64: note: in expansion of macro ‘SWIG_fail’
33076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33099:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33099 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33099:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33099 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33100:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33100 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33100:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33100 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33104 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33104:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33104 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33115:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33115 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33115:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33115 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33117:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33117 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFingerprint_Tanimoto", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33117:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33117 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFingerprint_Tanimoto", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33121:64: note: in expansion of macro ‘SWIG_fail’
33121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_FindFingerprint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33139:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33139 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33139:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33139 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FptIndexHeader_fpid_set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33211:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
33211 |   else memset(arg1->fpid,0,15*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33211:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
33211 |   else memset(arg1->fpid,0,15*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                              ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FptIndexHeader_datafilename_set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33248:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
33248 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33248:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
33248 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                                       ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FastSearch_FindSimilar(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33432:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33432 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FastSearch_FindSimilar", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33432:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33432 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FastSearch_FindSimilar", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33434:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33434:64: note: in expansion of macro ‘SWIG_fail’
33434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33438:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33438:64: note: in expansion of macro ‘SWIG_fail’
33438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33440:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33440:64: note: in expansion of macro ‘SWIG_fail’
33440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_FastSearchIndexer__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33485 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_std__string,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33485:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33485 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_std__string,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_FastSearchIndexer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33576:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33576 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_FastSearchIndexer", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33576:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33576 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_FastSearchIndexer", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33578:64: note: in expansion of macro ‘SWIG_fail’
33578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33580 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33580:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33580 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33583:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33583 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33583:64: note: in expansion of macro ‘SWIG_fail’
33583 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33585:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33585:64: note: in expansion of macro ‘SWIG_fail’
33585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33587:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33587:64: note: in expansion of macro ‘SWIG_fail’
33587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33647:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33647 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33647:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33647 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33655:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33655 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33655:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33655 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33657:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33657 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBDescriptor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33657:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33657 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBDescriptor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33659:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33659 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33659:64: note: in expansion of macro ‘SWIG_fail’
33659 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33661:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33661 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33661:64: note: in expansion of macro ‘SWIG_fail’
33661 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33673:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33673 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33673:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33673 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Predict(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33701 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Predict", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33701:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33701 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Predict", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33703:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33703 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33703:64: note: in expansion of macro ‘SWIG_fail’
33703 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33705:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33705 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33705:64: note: in expansion of macro ‘SWIG_fail’
33705 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_PredictAndSave(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33738:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33738 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33738:64: note: in expansion of macro ‘SWIG_fail’
33738 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33740:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33740 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33740:64: note: in expansion of macro ‘SWIG_fail’
33740 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_GetStringValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33783:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33783:64: note: in expansion of macro ‘SWIG_fail’
33783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33785:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33785:64: note: in expansion of macro ‘SWIG_fail’
33785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Compare(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33833:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33833 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Compare", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33833:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33833 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Compare", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33835:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33835 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33835:64: note: in expansion of macro ‘SWIG_fail’
33835 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33837:64: note: in expansion of macro ‘SWIG_fail’
33837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33862:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33862 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33862:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33862 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33863:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33863 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33863:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33863 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33880:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33880 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33880:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33880 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33882:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33882 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33882:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33882 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33884:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33884 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33884:64: note: in expansion of macro ‘SWIG_fail’
33884 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33886:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33886 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33886:64: note: in expansion of macro ‘SWIG_fail’
33886 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Order(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33917:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33917 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Order", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33917:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33917 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Order", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33922:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33922:64: note: in expansion of macro ‘SWIG_fail’
33922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_AddProperties(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33953:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33953 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33953:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33953 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_DeleteProperties(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33966 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33966:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33966 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35387:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35387 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35387:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35387 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35406:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35406 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35406:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35406 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35413:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35413 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35413:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35413 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35422:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35422 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35422:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35422 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35426 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35426:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35426 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35428:64: note: in expansion of macro ‘SWIG_fail’
35428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SetParameterFile(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35444:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35444 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35444:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35444 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35491:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35491 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35491:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35491 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35493:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35493:64: note: in expansion of macro ‘SWIG_fail’
35493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35495 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35495:64: note: in expansion of macro ‘SWIG_fail’
35495 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_GetGrid(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35676:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35676 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35676:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35676 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_GetGradient(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35890:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35890 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35890:64: note: in expansion of macro ‘SWIG_fail’
35890 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35892:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35892 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35892:64: note: in expansion of macro ‘SWIG_fail’
35892 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_Energy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35921:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35921 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Energy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35921:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35921 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Energy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35923:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35923 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35923:64: note: in expansion of macro ‘SWIG_fail’
35923 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35925:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35925 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35925:64: note: in expansion of macro ‘SWIG_fail’
35925 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Bond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35947:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35947 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Bond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35947:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35947 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Bond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35949:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35949 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35949:64: note: in expansion of macro ‘SWIG_fail’
35949 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35951:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35951 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35951:64: note: in expansion of macro ‘SWIG_fail’
35951 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Angle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35973:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35973 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Angle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35973:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35973 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Angle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35975:64: note: in expansion of macro ‘SWIG_fail’
35975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35977:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35977 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35977:64: note: in expansion of macro ‘SWIG_fail’
35977 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_StrBnd(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35999:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35999 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_StrBnd", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35999:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35999 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_StrBnd", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36001:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36001 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36001:64: note: in expansion of macro ‘SWIG_fail’
36001 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36003:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36003 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36003:64: note: in expansion of macro ‘SWIG_fail’
36003 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Torsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36025:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36025 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Torsion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36025:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36025 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Torsion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36027:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36027 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36027:64: note: in expansion of macro ‘SWIG_fail’
36027 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36029:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36029 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36029:64: note: in expansion of macro ‘SWIG_fail’
36029 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_OOP(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36051:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36051 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_OOP", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36051:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36051 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_OOP", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36053:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36053 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36053:64: note: in expansion of macro ‘SWIG_fail’
36053 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36055:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36055:64: note: in expansion of macro ‘SWIG_fail’
36055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_VDW(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36077:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36077 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_VDW", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36077:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36077 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_VDW", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36079:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36079 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36079:64: note: in expansion of macro ‘SWIG_fail’
36079 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36081:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36081 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36081:64: note: in expansion of macro ‘SWIG_fail’
36081 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Electrostatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36105:64: note: in expansion of macro ‘SWIG_fail’
36105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36107:64: note: in expansion of macro ‘SWIG_fail’
36107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_OBFFLog__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36188:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36188 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36188:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36188 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_OBFFLog(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36190 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_OBFFLog", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36190:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36190 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_OBFFLog", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36192:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36192 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36192:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36192 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36194:64: note: in expansion of macro ‘SWIG_fail’
36194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearch", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36237:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearch", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36239:64: note: in expansion of macro ‘SWIG_fail’
36239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36241:64: note: in expansion of macro ‘SWIG_fail’
36241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36243:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36243:64: note: in expansion of macro ‘SWIG_fail’
36243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearchInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36280:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36280 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchInitialize", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36280:119: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36280 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchInitialize", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36282:64: note: in expansion of macro ‘SWIG_fail’
36282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36284:64: note: in expansion of macro ‘SWIG_fail’
36284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36286:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36286:64: note: in expansion of macro ‘SWIG_fail’
36286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearchNextConformer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36310:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36310 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36310:122: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36310 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36312:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36312 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36312:64: note: in expansion of macro ‘SWIG_fail’
36312 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36314:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36314 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36314:64: note: in expansion of macro ‘SWIG_fail’
36314 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36358:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36358 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearch", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36358:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36358 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearch", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36360:64: note: in expansion of macro ‘SWIG_fail’
36360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36362:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36362 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36362:64: note: in expansion of macro ‘SWIG_fail’
36362 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36364:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36364 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36364:64: note: in expansion of macro ‘SWIG_fail’
36364 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearchInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36409:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36409 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36409:115: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36409 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36411:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36411 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36411:64: note: in expansion of macro ‘SWIG_fail’
36411 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36413:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36413 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36413:64: note: in expansion of macro ‘SWIG_fail’
36413 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36415:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36415 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36415:64: note: in expansion of macro ‘SWIG_fail’
36415 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearchNextConformer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36440:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36440 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36440:118: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36440 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36442:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36442:64: note: in expansion of macro ‘SWIG_fail’
36442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36444:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36444 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36444:64: note: in expansion of macro ‘SWIG_fail’
36444 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_WeightedRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36478:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36478 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_WeightedRotorSearch", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36478:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36478 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_WeightedRotorSearch", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36480:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36480 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36480:64: note: in expansion of macro ‘SWIG_fail’
36480 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36482:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36482 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36482:64: note: in expansion of macro ‘SWIG_fail’
36482 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FastRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36506:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36506:64: note: in expansion of macro ‘SWIG_fail’
36506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36508:64: note: in expansion of macro ‘SWIG_fail’
36508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_DiverseConfGen(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36570:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36570 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36570:64: note: in expansion of macro ‘SWIG_fail’
36570 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36572:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36572 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36572:64: note: in expansion of macro ‘SWIG_fail’
36572 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36574:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36574 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36574:64: note: in expansion of macro ‘SWIG_fail’
36574 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36576:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36576 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36576:64: note: in expansion of macro ‘SWIG_fail’
36576 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_LineSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36633:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_LineSearch", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36633:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_LineSearch", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36637:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36637 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36637:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36637 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36639:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36639 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36639:64: note: in expansion of macro ‘SWIG_fail’
36639 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SteepestDescent(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36712:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36712:64: note: in expansion of macro ‘SWIG_fail’
36712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36714 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36714:64: note: in expansion of macro ‘SWIG_fail’
36714 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36716:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36716 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36716:64: note: in expansion of macro ‘SWIG_fail’
36716 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SteepestDescentInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36768:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36768 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SteepestDescentInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36768:113: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36768 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SteepestDescentInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36770:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36770:64: note: in expansion of macro ‘SWIG_fail’
36770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36772:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36772 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36772:64: note: in expansion of macro ‘SWIG_fail’
36772 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36774:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36774 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36774:64: note: in expansion of macro ‘SWIG_fail’
36774 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36776:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36776 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36776:64: note: in expansion of macro ‘SWIG_fail’
36776 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_ConjugateGradients(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36833:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36833 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradients", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36833:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36833 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradients", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36835:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36835 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36835:64: note: in expansion of macro ‘SWIG_fail’
36835 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36837:64: note: in expansion of macro ‘SWIG_fail’
36837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36839:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36839 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36839:64: note: in expansion of macro ‘SWIG_fail’
36839 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_ConjugateGradientsInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36891 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradientsInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36891:116: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36891 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradientsInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36893:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36893 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36893:64: note: in expansion of macro ‘SWIG_fail’
36893 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36895:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36895:64: note: in expansion of macro ‘SWIG_fail’
36895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36897:64: note: in expansion of macro ‘SWIG_fail’
36897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36899:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36899 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36899:64: note: in expansion of macro ‘SWIG_fail’
36899 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_MolecularDynamicsTakeNSteps(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36977 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_MolecularDynamicsTakeNSteps", 0, 5, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36977:115: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36977 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_MolecularDynamicsTakeNSteps", 0, 5, argv))) SWIG_fail; --argc;
      |                                                                                                                   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36979:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36979:64: note: in expansion of macro ‘SWIG_fail’
36979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36981:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36981 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36981:64: note: in expansion of macro ‘SWIG_fail’
36981 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36983:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36983 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36983:64: note: in expansion of macro ‘SWIG_fail’
36983 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_IgnoreCalculation(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37079:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37079 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_IgnoreCalculation", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37079:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37079 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_IgnoreCalculation", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37081:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37081 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37081:64: note: in expansion of macro ‘SWIG_fail’
37081 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37083:64: note: in expansion of macro ‘SWIG_fail’
37083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37085:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37085 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37085:64: note: in expansion of macro ‘SWIG_fail’
37085 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorAngleDerivative__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37253:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37253 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37253:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37253 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorAngleDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37273:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37273 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorAngleDerivative", 0, 6, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37273:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37273 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorAngleDerivative", 0, 6, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37275:64: note: in expansion of macro ‘SWIG_fail’
37275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37277:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37277 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37277:64: note: in expansion of macro ‘SWIG_fail’
37277 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorOOPDerivative__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37289:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37289 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37289:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37289 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorOOPDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37344:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37344 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorOOPDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37344:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37344 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorOOPDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37346:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37346 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37346:64: note: in expansion of macro ‘SWIG_fail’
37346 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37348:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37348:64: note: in expansion of macro ‘SWIG_fail’
37348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorTorsionDerivative__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37360:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37360 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37360:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37360 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorTorsionDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37415:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37415 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorTorsionDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37415:111: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37415 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorTorsionDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |                                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37417:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37417 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37417:64: note: in expansion of macro ‘SWIG_fail’
37417 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37419:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37419 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37419:64: note: in expansion of macro ‘SWIG_fail’
37419 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37507:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37507 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37507:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37507 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Build(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37665:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37665 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Build", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37665:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37665 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Build", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37667:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37667 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37667:64: note: in expansion of macro ‘SWIG_fail’
37667 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37669:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37669:64: note: in expansion of macro ‘SWIG_fail’
37669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_SetKeepRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37675:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37675 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37675:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37675 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_UnsetKeepRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37682:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_AddRingFragment(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37707 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37707:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37707 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_LoadFragments(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37710 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37710:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37710 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_GetNewBondVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37749:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37749 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37749:64: note: in expansion of macro ‘SWIG_fail’
37749 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37751:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37751 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37751:64: note: in expansion of macro ‘SWIG_fail’
37751 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Connect__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37799 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37799:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37799 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Connect(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37826:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37826 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Connect", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37826:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37826 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Connect", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37828:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37828:64: note: in expansion of macro ‘SWIG_fail’
37828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37830:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37830 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37830:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37830 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37832:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37832:64: note: in expansion of macro ‘SWIG_fail’
37832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37834:64: note: in expansion of macro ‘SWIG_fail’
37834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37861:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37861 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37861:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37861 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoAtoms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37881:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37881 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37881:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37881 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37891:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37891 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37891:64: note: in expansion of macro ‘SWIG_fail’
37891 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37893:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37893 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37893:64: note: in expansion of macro ‘SWIG_fail’
37893 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBuilder(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37932:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37932 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37932:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37932 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37956:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37956 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37956:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37956 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37961:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37961 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37961:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37961 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37967 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37967:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37967 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37985:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37985 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37985:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37985 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37990:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37990 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37990:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37990 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38005 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38005:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38005 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38020:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38020 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38020:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38020 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38032 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOp_Do", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38032:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38032 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOp_Do", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38035:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38035:64: note: in expansion of macro ‘SWIG_fail’
38035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38038:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38038 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38038:64: note: in expansion of macro ‘SWIG_fail’
38038 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBOp(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38097 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38097:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38097 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38124:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38124 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38124:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38124 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38133:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38133 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38133:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38133 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBChargeModel", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38135:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBChargeModel", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38137:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38137 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38137:64: note: in expansion of macro ‘SWIG_fail’
38137 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38139:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38139 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38139:64: note: in expansion of macro ‘SWIG_fail’
38139 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38151:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38151 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38151:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38151 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_ComputeCharges__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38181:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38181 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38181:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38181 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_ComputeCharges(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38185:64: note: in expansion of macro ‘SWIG_fail’
38185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38187:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38187:64: note: in expansion of macro ‘SWIG_fail’
38187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChemTsfm_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38272:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38272 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38272:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38272 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38273:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38273 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38273:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38273 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPhModel(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38319:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38319 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38319:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38319 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPhModel_CorrectForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38367:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38367 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPhModel_CorrectForPH", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38367:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38367 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPhModel_CorrectForPH", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38369:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38369 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38369:64: note: in expansion of macro ‘SWIG_fail’
38369 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38371:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38371 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38371:64: note: in expansion of macro ‘SWIG_fail’
38371 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGraphSym(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38408:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38408 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGraphSym", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38408:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38408 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGraphSym", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38410:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38410 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38410:64: note: in expansion of macro ‘SWIG_fail’
38410 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38412:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38412 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38412:64: note: in expansion of macro ‘SWIG_fail’
38412 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_GetInstance__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38472:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38472 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38472:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38472 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38483:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38483 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38483:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38483 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_GetInstance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38495:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38495 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_GetInstance", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38495:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38495 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_GetInstance", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38497:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38497 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38497:64: note: in expansion of macro ‘SWIG_fail’
38497 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38499:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38499 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38499:64: note: in expansion of macro ‘SWIG_fail’
38499 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapFirst(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38549:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38549 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38549:64: note: in expansion of macro ‘SWIG_fail’
38549 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38551:64: note: in expansion of macro ‘SWIG_fail’
38551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapUnique(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38601:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38601 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapUnique", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38601:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38601 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapUnique", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38603:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38603 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38603:64: note: in expansion of macro ‘SWIG_fail’
38603 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38605:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38605:64: note: in expansion of macro ‘SWIG_fail’
38605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapAll(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38684:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38684:64: note: in expansion of macro ‘SWIG_fail’
38684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38686:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38686 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38686:64: note: in expansion of macro ‘SWIG_fail’
38686 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38688:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38688 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38688:64: note: in expansion of macro ‘SWIG_fail’
38688 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapGeneric(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38737:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38737 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapGeneric", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38737:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38737 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapGeneric", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38739:64: note: in expansion of macro ‘SWIG_fail’
38739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38741:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38741 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38741:64: note: in expansion of macro ‘SWIG_fail’
38741 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_MapsTo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38768:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38768 |   if (!SWIG_Python_UnpackTuple(args, "MapsTo", 3, 3, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38768:76: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38768 |   if (!SWIG_Python_UnpackTuple(args, "MapsTo", 3, 3, swig_obj)) SWIG_fail; {
      |                                                                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38784:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38784 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38784:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38784 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38818 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38818:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38818 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38849:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38849 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38849:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38849 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38874 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38874:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38874 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38880:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38880 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38880:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38880 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_5(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38927 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38927:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38927 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_6(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38966 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38966:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38966 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_7(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38987:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38987 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38987:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38987 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38989:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38989 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindAutomorphisms", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38989:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38989 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindAutomorphisms", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38991:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38991 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38991:64: note: in expansion of macro ‘SWIG_fail’
38991 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38993 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38993:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38993 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39002:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39002:64: note: in expansion of macro ‘SWIG_fail’
39002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39004:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39004 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39004:64: note: in expansion of macro ‘SWIG_fail’
39004 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39006:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39006 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39006:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39006 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39016:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39016 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39016:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39016 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39017:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39017 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_6: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39017:64: note: in expansion of macro ‘SWIG_fail’
39017 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_6: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39019:64: note: in expansion of macro ‘SWIG_fail’
39019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39021:64: note: in expansion of macro ‘SWIG_fail’
39021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryAtom__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39057:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39057 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39057:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39057 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39068:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39068 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39068:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39068 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39070:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39070 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39070:64: note: in expansion of macro ‘SWIG_fail’
39070 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39072:64: note: in expansion of macro ‘SWIG_fail’
39072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39074:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39074:64: note: in expansion of macro ‘SWIG_fail’
39074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39076:64: note: in expansion of macro ‘SWIG_fail’
39076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQueryAtom_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39100:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39100 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39100:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39100 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQueryAtom_GetNbrs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39110:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39110 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39110:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39110 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39188:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39188 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39188:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39188 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39190:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39190 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39190:64: note: in expansion of macro ‘SWIG_fail’
39190 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39192:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39192 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39192:64: note: in expansion of macro ‘SWIG_fail’
39192 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39194:64: note: in expansion of macro ‘SWIG_fail’
39194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39259:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39259 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39259:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39259 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQuery_GetAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39283:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39283 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39283:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39283 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQuery_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39293:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39293 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39293:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39293 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileMoleculeQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39358:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39358 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39358:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39358 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileMoleculeQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39379:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39379 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileMoleculeQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39379:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39379 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileMoleculeQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39381:64: note: in expansion of macro ‘SWIG_fail’
39381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39383:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39383 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39383:64: note: in expansion of macro ‘SWIG_fail’
39383 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39402:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39402 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39402:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39402 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39405:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39405 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39405:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39405 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39412:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39412 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39412:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39412 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39414:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39414 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileSmilesQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39414:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39414 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileSmilesQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39416:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39416 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39416:64: note: in expansion of macro ‘SWIG_fail’
39416 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39418:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39418 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39418:64: note: in expansion of macro ‘SWIG_fail’
39418 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39454:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39454 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39454:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39454 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39485 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39485:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39485 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39491:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39491 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39491:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39491 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39513:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39513 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39513:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39513 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39535:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39535 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39535:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39535 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39537:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39537 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CanonicalLabels", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39537:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39537 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CanonicalLabels", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39539:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39539 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39539:64: note: in expansion of macro ‘SWIG_fail’
39539 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39541:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39541 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39541:64: note: in expansion of macro ‘SWIG_fail’
39541 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39543:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39543:64: note: in expansion of macro ‘SWIG_fail’
39543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39545:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39545:64: note: in expansion of macro ‘SWIG_fail’
39545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_MakeRefs__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39557:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39557 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_long(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39557:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39557 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_long(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_MakeRefs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39587:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39587 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBStereo_MakeRefs", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39587:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39587 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBStereo_MakeRefs", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39589:64: note: in expansion of macro ‘SWIG_fail’
39589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39591:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39591 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39591:64: note: in expansion of macro ‘SWIG_fail’
39591 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_ContainsSameRefs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39599 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsSameRefs", 2, 2, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39599:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39599 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsSameRefs", 2, 2, swig_obj)) SWIG_fail; {
      |                                                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39614:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39614 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39614:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39614 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39615:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39615 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39615:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39615 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_ContainsRef(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39619:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39619 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsRef", 2, 2, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39619:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39619 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsRef", 2, 2, swig_obj)) SWIG_fail; {
      |                                                                                          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39630 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39630:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39630 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_NumInversions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39633:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39633 |   if (!args) SWIG_fail; swig_obj[0] = args; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39633:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39633 |   if (!args) SWIG_fail; swig_obj[0] = args; {
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39642:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39642 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39642:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39642 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_Permutated(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39661:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39661 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_Permutated", 3, 3, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39661:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39661 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_Permutated", 3, 3, swig_obj)) SWIG_fail; {
      |                                                                                         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39674:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39674 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39674:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39674 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39682:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39706:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39706 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39706:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39706 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39719:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39719 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39719:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39719 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39728:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoUnit", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39728:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoUnit", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39730:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39730:64: note: in expansion of macro ‘SWIG_fail’
39730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39732:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39732 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39732:64: note: in expansion of macro ‘SWIG_fail’
39732 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39734:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39734:64: note: in expansion of macro ‘SWIG_fail’
39734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoFacade(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39883:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39883 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoFacade", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39883:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39883 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoFacade", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39885:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39885 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39885:64: note: in expansion of macro ‘SWIG_fail’
39885 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39887:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39887 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39887:64: note: in expansion of macro ‘SWIG_fail’
39887 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_PerceiveStereo__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40038:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40038 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40038:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40038 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_PerceiveStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "PerceiveStereo", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40044:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "PerceiveStereo", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40046:64: note: in expansion of macro ‘SWIG_fail’
40046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40048:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40048:64: note: in expansion of macro ‘SWIG_fail’
40048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40056:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40056 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40056:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40056 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40084:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40084 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40084:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40084 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40090:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40090:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40093:64: note: in expansion of macro ‘SWIG_fail’
40093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom3D__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40112:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40112 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40112:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40112 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40118:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40118 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom3D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40118:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40118 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom3D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40121:64: note: in expansion of macro ‘SWIG_fail’
40121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40127:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40127 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40127:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40127 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40170:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40170 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40170:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40170 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40172:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40172 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40172:64: note: in expansion of macro ‘SWIG_fail’
40172 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40174:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40174 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40174:64: note: in expansion of macro ‘SWIG_fail’
40174 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40217:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40217 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40217:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40217 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40219:64: note: in expansion of macro ‘SWIG_fail’
40219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40221:64: note: in expansion of macro ‘SWIG_fail’
40221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40264:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40264 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40264:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40264 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40266:64: note: in expansion of macro ‘SWIG_fail’
40266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40268:64: note: in expansion of macro ‘SWIG_fail’
40268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40311:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40311 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40311:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40311 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40313:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40313 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40313:64: note: in expansion of macro ‘SWIG_fail’
40313 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40315 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40315:64: note: in expansion of macro ‘SWIG_fail’
40315 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40388:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40388 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom2D", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40388:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40388 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom2D", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40390:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40390 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40390:64: note: in expansion of macro ‘SWIG_fail’
40390 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40392:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40392:64: note: in expansion of macro ‘SWIG_fail’
40392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40394:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40394 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40394:64: note: in expansion of macro ‘SWIG_fail’
40394 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40504:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40506:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40506:64: note: in expansion of macro ‘SWIG_fail’
40506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40508:64: note: in expansion of macro ‘SWIG_fail’
40508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40518:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40518 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40518:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40518 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40530 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40530:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40530 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40536:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40536 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40536:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40536 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40554:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40554 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40554:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40554 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40555:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40555 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40555:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40555 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40557:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40557 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindStereogenicUnits", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40557:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40557 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindStereogenicUnits", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40559:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40559 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40559:64: note: in expansion of macro ‘SWIG_fail’
40559 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40561:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40561 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40561:64: note: in expansion of macro ‘SWIG_fail’
40561 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRotorRule(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40587:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40587 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40587:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40587 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40752 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40752:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40752 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40770:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40770 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40770:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40770 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetDihedralAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40811:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40811 |      if (!_v) goto check_1; return _wrap_OBRotor_SetDihedralAtoms__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40811:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40811 |      if (!_v) goto check_1; return _wrap_OBRotor_SetDihedralAtoms__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40813:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40813 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40813:64: note: in expansion of macro ‘SWIG_fail’
40813 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRotor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40887:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40887 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40887:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40887 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40898:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40898 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_SetRotor", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40898:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40898 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_SetRotor", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40900:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40900 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40900:64: note: in expansion of macro ‘SWIG_fail’
40900 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40902:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40902 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40902:64: note: in expansion of macro ‘SWIG_fail’
40902 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40910:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40910 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40910:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40910 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40940 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40940:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40940 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40966 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40966:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40966 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40979:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40979 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_Set", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40979:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40979 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_Set", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40982 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40982:64: note: in expansion of macro ‘SWIG_fail’
40982 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_GetDihedralAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41032:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41032:64: note: in expansion of macro ‘SWIG_fail’
41032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41034:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41034 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41034:64: note: in expansion of macro ‘SWIG_fail’
41034 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41294:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41294 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41294:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41294 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41296:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41296 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41296:64: note: in expansion of macro ‘SWIG_fail’
41296 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41298:64: note: in expansion of macro ‘SWIG_fail’
41298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_FindRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41377:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41377 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_FindRotors", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41377:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41377 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_FindRotors", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41379:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41379 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41379:64: note: in expansion of macro ‘SWIG_fail’
41379 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41381:64: note: in expansion of macro ‘SWIG_fail’
41381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_BeginRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41444:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41444 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41444:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41444 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_EndRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41453:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41453 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41453:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41453 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_rotor_digit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41537:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41537 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_rotor_digit", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41537:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41537 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_rotor_digit", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41539:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41539 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41539:64: note: in expansion of macro ‘SWIG_fail’
41539 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41541:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41541 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41541:64: note: in expansion of macro ‘SWIG_fail’
41541 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41720:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41720 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_Setup", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41720:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41720 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_Setup", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41722:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41722 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41722:64: note: in expansion of macro ‘SWIG_fail’
41722 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41724:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41724 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41724:64: note: in expansion of macro ‘SWIG_fail’
41724 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_AddRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41790:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41790 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41790:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41790 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41792:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41792 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41792:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41792 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41796:64: note: in expansion of macro ‘SWIG_fail’
41796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_BeginRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41829:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41829 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41829:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41829 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_EndRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41838 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41838:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41838 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_SetBaseCoordinateSets(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41931:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41931 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_SetBaseCoordinateSets", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41931:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41931 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_SetBaseCoordinateSets", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41933:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41933 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41933:64: note: in expansion of macro ‘SWIG_fail’
41933 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41935:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41935:64: note: in expansion of macro ‘SWIG_fail’
41935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSpectrophore(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41996:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41996 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSpectrophore", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41996:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41996 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSpectrophore", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41998:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41998:64: note: in expansion of macro ‘SWIG_fail’
41998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42000:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42000:64: note: in expansion of macro ‘SWIG_fail’
42000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetResolution(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42032:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42032:64: note: in expansion of macro ‘SWIG_fail’
42032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42034:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42034 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42034:64: note: in expansion of macro ‘SWIG_fail’
42034 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetAccuracy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42059:64: note: in expansion of macro ‘SWIG_fail’
42059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42061:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42061 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42061:64: note: in expansion of macro ‘SWIG_fail’
42061 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42087:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42087 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42087:64: note: in expansion of macro ‘SWIG_fail’
42087 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42089:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42089 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42089:64: note: in expansion of macro ‘SWIG_fail’
42089 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetNormalization(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSpectrophore_SetNormalization", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42114:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSpectrophore_SetNormalization", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42116:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42116 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42116:64: note: in expansion of macro ‘SWIG_fail’
42116 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42118:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42118:64: note: in expansion of macro ‘SWIG_fail’
42118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerFilter_IsGood(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42202:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42202 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42202:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42202 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStericConformerFilter__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42260 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42260:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42260 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStericConformerFilter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42293:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42293:64: note: in expansion of macro ‘SWIG_fail’
42293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42295:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42295 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42295:64: note: in expansion of macro ‘SWIG_fail’
42295 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42297:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42297 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42297:64: note: in expansion of macro ‘SWIG_fail’
42297 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42299:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42299:64: note: in expansion of macro ‘SWIG_fail’
42299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerScore_Score(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42371:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42371 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42371:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42371 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42623:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42623 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_Setup", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42623:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42623 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_Setup", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42625:64: note: in expansion of macro ‘SWIG_fail’
42625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42627:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42627 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42627:64: note: in expansion of macro ‘SWIG_fail’
42627 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42629:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42629 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42629:64: note: in expansion of macro ‘SWIG_fail’
42629 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42631:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42631:64: note: in expansion of macro ‘SWIG_fail’
42631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42633:64: note: in expansion of macro ‘SWIG_fail’
42633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_SetSharing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42792:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42792 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42792:64: note: in expansion of macro ‘SWIG_fail’
42792 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42794:64: note: in expansion of macro ‘SWIG_fail’
42794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_SetLocalOptRate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42925 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_SetLocalOptRate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42925:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42925 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_SetLocalOptRate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42927:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42927:64: note: in expansion of macro ‘SWIG_fail’
42927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42929:64: note: in expansion of macro ‘SWIG_fail’
42929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42946 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42946:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42946 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42955:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42955 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42955:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42955 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42989:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42989 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42989:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42989 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_6(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43039:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43039 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43039:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43039 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43040 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43040:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43040 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43042:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43042 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAlign", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43042:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43042 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAlign", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43045:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43045:64: note: in expansion of macro ‘SWIG_fail’
43045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43047:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43047 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43047:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43047 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43050:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43050 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43050:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43050 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43054:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43054:64: note: in expansion of macro ‘SWIG_fail’
43054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAlign_SetRef(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43080:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43080 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43080:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43080 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAlign_SetTarget(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43096:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43096 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43096:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43096 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAlign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43178 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43178:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43178 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43220:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43220 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43220:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43220 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43222:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43222 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43222:64: note: in expansion of macro ‘SWIG_fail’
43222 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43224:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43224 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43224:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43224 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43226:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43226 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43226:64: note: in expansion of macro ‘SWIG_fail’
43226 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43268:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43268:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43270:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43270 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43270:64: note: in expansion of macro ‘SWIG_fail’
43270 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43272:64: note: in expansion of macro ‘SWIG_fail’
43272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomDFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43333:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43333 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomDFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43333:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43333 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomDFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43335:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43335 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43335:64: note: in expansion of macro ‘SWIG_fail’
43335 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43337:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43337 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43337:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43337 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43339:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43339:64: note: in expansion of macro ‘SWIG_fail’
43339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43341:64: note: in expansion of macro ‘SWIG_fail’
43341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomDFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43385:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43385 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomDFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43385:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43385 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomDFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43387:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43387 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43387:64: note: in expansion of macro ‘SWIG_fail’
43387 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43389:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43389 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43389:64: note: in expansion of macro ‘SWIG_fail’
43389 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomBFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43458 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43458:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43458 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43460:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43460:64: note: in expansion of macro ‘SWIG_fail’
43460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43462:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43462 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43462:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43462 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43464:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43464:64: note: in expansion of macro ‘SWIG_fail’
43464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43466:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43466 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43466:64: note: in expansion of macro ‘SWIG_fail’
43466 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomBFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43510:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43510 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43510:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43510 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43512:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43512:64: note: in expansion of macro ‘SWIG_fail’
43512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43514:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43514:64: note: in expansion of macro ‘SWIG_fail’
43514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMolBondBFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43583:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43583 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMolBondBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43583:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43583 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMolBondBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43585:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43585:64: note: in expansion of macro ‘SWIG_fail’
43585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43587:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43587 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43587:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43587 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43589:64: note: in expansion of macro ‘SWIG_fail’
43589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43591:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43591 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43591:64: note: in expansion of macro ‘SWIG_fail’
43591 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMolBondBFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43635:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43635 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMolBondBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43635:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43635 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMolBondBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43637:64: note: in expansion of macro ‘SWIG_fail’
43637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43639:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43639 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43639:64: note: in expansion of macro ‘SWIG_fail’
43639 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolBondIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43698:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43698 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43698:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43698 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43700:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43700 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43700:64: note: in expansion of macro ‘SWIG_fail’
43700 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43702:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43702 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43702:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43702 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43704:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43704:64: note: in expansion of macro ‘SWIG_fail’
43704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolBondIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43746:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43746 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43746:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43746 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43748 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43748:64: note: in expansion of macro ‘SWIG_fail’
43748 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43750:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43750:64: note: in expansion of macro ‘SWIG_fail’
43750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBAtomAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43801:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43803:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43803:64: note: in expansion of macro ‘SWIG_fail’
43803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43805:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43805 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43805:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43805 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43807:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43807 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43807:64: note: in expansion of macro ‘SWIG_fail’
43807 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBAtomAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43849:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43849 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43849:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43849 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43851:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43851 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43851:64: note: in expansion of macro ‘SWIG_fail’
43851 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43853:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43853 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43853:64: note: in expansion of macro ‘SWIG_fail’
43853 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBAtomBondIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43904:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43904 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43904:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43904 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43906:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43906 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43906:64: note: in expansion of macro ‘SWIG_fail’
43906 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43908:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43908 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43908:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43908 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43910:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43910 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43910:64: note: in expansion of macro ‘SWIG_fail’
43910 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBAtomBondIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43952:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43952:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43954:64: note: in expansion of macro ‘SWIG_fail’
43954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43956:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43956:64: note: in expansion of macro ‘SWIG_fail’
43956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBResidueIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44007:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44007 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44007:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44007 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44009:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44009 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44009:64: note: in expansion of macro ‘SWIG_fail’
44009 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44011:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44011 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44011:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44011 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44013:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44013 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44013:64: note: in expansion of macro ‘SWIG_fail’
44013 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBResidueIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44055:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44055 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44055:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44055 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44057:64: note: in expansion of macro ‘SWIG_fail’
44057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44059:64: note: in expansion of macro ‘SWIG_fail’
44059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBResidueAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44110:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44110 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44110:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44110 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44112:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44112 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44112:64: note: in expansion of macro ‘SWIG_fail’
44112 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44114:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44114 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44114:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44114 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44116:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44116 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44116:64: note: in expansion of macro ‘SWIG_fail’
44116 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBResidueAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44159:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44159 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44159:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44159 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44161:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44161 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44161:64: note: in expansion of macro ‘SWIG_fail’
44161 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44163:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44163 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44163:64: note: in expansion of macro ‘SWIG_fail’
44163 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAngleIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44214:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44214 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAngleIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44214:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44214 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAngleIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44216:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44216:64: note: in expansion of macro ‘SWIG_fail’
44216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44218:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44218 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44218:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44218 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44220:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44220 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44220:64: note: in expansion of macro ‘SWIG_fail’
44220 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolTorsionIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44296:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44296 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolTorsionIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44296:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44296 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolTorsionIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44298:64: note: in expansion of macro ‘SWIG_fail’
44298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44300:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44300 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44300:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44300 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44302:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44302 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44302:64: note: in expansion of macro ‘SWIG_fail’
44302 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolPairIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44380:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44380 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolPairIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44380:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44380 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolPairIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44382:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44382 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44382:64: note: in expansion of macro ‘SWIG_fail’
44382 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44384:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44384 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44384:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44384 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44386:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44386:64: note: in expansion of macro ‘SWIG_fail’
44386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolRingIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44462:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44462 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolRingIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44462:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44462 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolRingIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44464:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44464:64: note: in expansion of macro ‘SWIG_fail’
44464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44466:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44466 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44466:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44466 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44468:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44468 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44468:64: note: in expansion of macro ‘SWIG_fail’
44468 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolRingIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44510:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44510 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolRingIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44510:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44510 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolRingIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44512:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44512:64: note: in expansion of macro ‘SWIG_fail’
44512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44514:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44514:64: note: in expansion of macro ‘SWIG_fail’
44514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_doubleArray(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44548:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44548 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44548:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44548 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_doubleArray_frompointer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44584:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44584 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44584:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44584 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTetrahedralStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44789:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44789 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTetrahedralStereo_GetConfig", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44789:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44789 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTetrahedralStereo_GetConfig", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44791:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44791 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44791:64: note: in expansion of macro ‘SWIG_fail’
44791 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44795:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44795 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44795:64: note: in expansion of macro ‘SWIG_fail’
44795 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_4: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44798:64: note: in expansion of macro ‘SWIG_fail’
44798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_4: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44800:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44800 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44800:64: note: in expansion of macro ‘SWIG_fail’
44800 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44802:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44802:64: note: in expansion of macro ‘SWIG_fail’
44802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCisTransStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45013:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45013 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45013:64: note: in expansion of macro ‘SWIG_fail’
45013 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45017:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45017 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45017:64: note: in expansion of macro ‘SWIG_fail’
45017 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45019:64: note: in expansion of macro ‘SWIG_fail’
45019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSquarePlanarStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45214:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45214 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSquarePlanarStereo_GetConfig", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45214:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45214 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSquarePlanarStereo_GetConfig", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45216:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45216:64: note: in expansion of macro ‘SWIG_fail’
45216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45220:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45220 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45220:64: note: in expansion of macro ‘SWIG_fail’
45220 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45222:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45222 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1180:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1180 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45222:64: note: in expansion of macro ‘SWIG_fail’
45222 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:50805:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
50805 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Linking CXX shared module /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/_openbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_python.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/_openbabel.so "CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o"  -lpython3.13 ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Built target bindings_python
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 94%] Building CXX object scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_perl_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -MF CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o.d -o CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1788:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1789:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1799:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1762:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2798:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2798 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2798 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorUnsignedInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2899:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2899 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2899:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2899 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2903 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2903 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2905:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2905 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2905:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2905 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorVInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3016:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3016:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3020:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3020 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3020:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3020 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3237 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3237 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3241:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3241 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3241:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3241 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3243 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3243 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorVector3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3352:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3356 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3356 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3358:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3358 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3358:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3358 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3471 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3471 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3475 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3475 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3477 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3477 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3590:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3594 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3594 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3596:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3596 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3596:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3596 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBResidue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3709:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3709 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3709 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3713:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3713 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3713:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3713 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3829:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3829 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3829:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3829 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3833 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3833 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3835:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3835 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3835:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3835 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorpOBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3954 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3954 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_SetReadDirectory(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:781:
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4336:47: note: in expansion of macro ‘XSRETURN’
 4336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_SetEnvironmentVariable(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4347:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4347 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4347:47: note: in expansion of macro ‘XSRETURN’
 4347 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_ParseLine(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4358:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4358 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4358:47: note: in expansion of macro ‘XSRETURN’
 4358 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_SetFromType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4521 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4521:47: note: in expansion of macro ‘XSRETURN’
 4521 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_SetToType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4533:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4533 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4533:47: note: in expansion of macro ‘XSRETURN’
 4533 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4548:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4548 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4548:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4548 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4549:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4549 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4549:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4549 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4568:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4568 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4568:43: note: in expansion of macro ‘XSRETURN’
 4568 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4581:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4581 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4581:43: note: in expansion of macro ‘XSRETURN’
 4581 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4585:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4585 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4585:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4585 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4587:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4587 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4587:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4587 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4591:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4591 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4591:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4591 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4593:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4593 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4593:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4593 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4595:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4599:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4599 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4599:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4599 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_SetResName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4640:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4640 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4640:43: note: in expansion of macro ‘XSRETURN’
 4640 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4653:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4653 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4653:43: note: in expansion of macro ‘XSRETURN’
 4653 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4672:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4672 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4672:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4672 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4673 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4673:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4673 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4677:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4677 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4677:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4677 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4679:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4679 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4679:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4679 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4683:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4683 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4683:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4683 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4685:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4685:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4687:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4687 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4687:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4687 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4714 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4714:43: note: in expansion of macro ‘XSRETURN’
 4714 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_vector3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4909:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4909 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4909:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4909 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_begin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4968:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4972 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4972 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_end(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4989:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4989 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4989:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4989 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4993:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4993 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4993:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4993 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_Set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5028:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5028:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5034:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5034 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5034:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5034 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_add(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5152:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5152 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5152:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5152 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5154:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5154 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5154:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5154 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5158:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5158 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5158:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5158 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_x(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5232:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5232 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5232:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5232 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5236:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5236 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5236:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5236 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_y(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_z(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5270:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5270 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5270:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5270 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5274:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5274 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5274:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5274 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_matrix3x3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5684:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5684 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5684:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5684 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5686:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5686 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5686:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5686 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5688:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5688 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5688:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5688 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_matrix3x3___call__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5740:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5740 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5740:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5740 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5747:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5747 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5747:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5747 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___mul__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5996:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5996 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5996:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5996 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6016:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6016 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6016:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6016 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBBitVec(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6087:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6087 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6087:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6087 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBitVec_FirstBit(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6172:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6172 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6172:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6172 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6176:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6176:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBitVec_FromString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6284 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6284:43: note: in expansion of macro ‘XSRETURN’
 6284 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___sub__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6413:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6413 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6413:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6413 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6417:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6417 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6417:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6417 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6419:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6419 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6419:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6419 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBGenericData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6568:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6568 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6568:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6568 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6570:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6570 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6570:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6570 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6574:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6574 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6574:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6574 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6576 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6576 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGenericData_SetAttribute(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6616:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6616 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6616:43: note: in expansion of macro ‘XSRETURN’
 6616 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6717:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6717 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6717 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6721:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6721 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6721:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6721 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6737:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6737 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6737:47: note: in expansion of macro ‘XSRETURN’
 6737 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6751:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6751 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6751:43: note: in expansion of macro ‘XSRETURN’
 6751 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6762:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6762 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6762:47: note: in expansion of macro ‘XSRETURN’
 6762 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6778:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6778 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6778 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6780 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6780 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6784:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6784 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6784:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6784 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6786:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6786 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6786 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6790:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6790 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6790:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6790 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6844 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6844:43: note: in expansion of macro ‘XSRETURN’
 6844 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6848:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6848 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6848:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6848 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6850:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6850:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6854:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6854 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6854 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6860:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6860 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6860:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6860 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6862:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6862 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6862:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6862 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6866:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6866 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6866:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6866 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6868:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6868 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6868:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6868 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6915:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6915 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6915:43: note: in expansion of macro ‘XSRETURN’
 6915 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6927:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6927 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6927:47: note: in expansion of macro ‘XSRETURN’
 6927 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6970:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6970 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6970:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6970 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6974:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6980:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6980 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6980 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6986 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6986 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6992 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6992 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7059 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7059:43: note: in expansion of macro ‘XSRETURN’
 7059 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7069:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7069 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7069:47: note: in expansion of macro ‘XSRETURN’
 7069 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7074:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7074 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7074 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7076:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7080:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7080 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7080:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7080 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBExternalBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7143:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7143 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7143:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7143 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7270:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7270 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7270:47: note: in expansion of macro ‘XSRETURN’
 7270 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7283:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7283 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7283:43: note: in expansion of macro ‘XSRETURN’
 7283 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7287 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7287 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7289:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7289 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7289:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7289 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7293:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7293 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7293:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7293 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7343:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7343 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7343:47: note: in expansion of macro ‘XSRETURN’
 7343 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7357 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7357:43: note: in expansion of macro ‘XSRETURN’
 7357 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7370:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7370 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7370:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7370 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7374:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7374 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7374:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7374 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7376:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7376:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7380:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7380 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7380:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7380 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBVirtualBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7466:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7466 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7466:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7466 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7468:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7468:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7472:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7472 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7472:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7472 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7474:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7474 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7474:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7474 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7476:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7476 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7476 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7729:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7729 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7729 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7737:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7737 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7737:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7737 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7739:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7739 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7739:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7739 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7741:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7741 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7741:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7741 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7745:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7745 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7745:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7745 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_SetSpaceGroup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7809:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7809:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7811:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7811 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7811 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7815:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7815 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7815:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7815 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7821:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7821 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7821:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7821 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7823 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7823 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetA(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7869:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7869 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7869:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7869 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7873:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7873 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7873:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7873 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetB(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7897:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7897:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7901:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7901 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7901:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7901 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetC(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetAlpha(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7954 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7954 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7958:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7958 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7958:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7958 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetBeta(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7983:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7983:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7987:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7987:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetGamma(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8012:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8012 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8012:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8012 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8016:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8016 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8016:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8016 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOffset(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8040 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8040 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8044:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8044 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8044:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8044 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8069:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8069 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8069:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8069 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8073:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8073 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8073 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroupName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8098:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8098:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8102:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8102 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8102:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8102 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetLatticeType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8151:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8151 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8151 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8155:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8155 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8155:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8155 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8159 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8159 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8165:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8165 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8165 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellVectors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8202:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8202 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8202:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8202 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8226:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8226 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8226 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8230:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8230:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOrthoMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8255 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8255 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8259:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8259 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8259:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8259 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOrientationMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8284:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8284 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8284 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8288:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetFractionalMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8313:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8313 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8313:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8313 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8317:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8317 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8317:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8317 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_FractionalToCartesian(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8354:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8354 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8354:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8354 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8356:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8356 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8356:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8356 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8360:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8360 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8360:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8360 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8362:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8362 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8362:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8362 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_CartesianToFractional(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8399:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8399 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8399:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8399 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8401:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8401 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8401:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8401 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8405:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8405 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8405:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8405 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8407:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8407 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8407:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8407 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_WrapCartesianCoordinate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8444:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8444 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8444:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8444 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8446:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8446 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8446:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8446 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8450:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8450 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8450:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8450 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8452:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8452 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8452:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8452 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_WrapFractionalCoordinate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8489:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8491:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8491 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8491:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8491 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8495:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8495 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8495 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8497:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8497 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8497:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8497 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_UnwrapCartesianNear(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8544:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8546:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8546 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8546:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8546 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8548:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8548 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8548:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8548 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8554:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8554 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8554:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8554 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8556:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8556 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8556:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8556 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_UnwrapFractionalNear(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8603:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8603 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8603:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8603 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8605:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8605 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8605:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8605 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8607:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8607 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8607:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8607 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8611:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8611 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8611:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8611 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8613:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8613 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8613:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8613 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8615:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8615 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8615:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8615 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_MinimumImageCartesian(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8652:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8652 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8652:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8652 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8654:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8654 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8654:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8654 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8658:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8658 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8658:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8658 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8660:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8660 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8660:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8660 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_MinimumImageFractional(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8697:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8697 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8697:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8697 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8699:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8699 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8699:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8699 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8703 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8703 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8705:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8705 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8705:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8705 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroupNumber(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8753:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8753 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8753:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8753 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8757:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8757 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8757:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8757 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8761:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8761 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8761:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8761 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8763:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8763 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8763:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8763 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8767:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8767 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8767:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8767 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8769:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8769 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8769:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8769 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellVolume(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8796:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8800:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8800 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8800 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSymmetryData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9028:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9028:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9030:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9030 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9030:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9030 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9034:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9034 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9034:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9034 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9036:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9036 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9036 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9038:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9038 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9038 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_AddTorsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9165:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9165 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9165 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9167:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9167 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9167:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9167 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9169:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9169 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9169 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9171 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9171 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9173:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9173 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9173 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_SetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9207:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9207 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9207:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9207 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9213:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9213 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9213:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9213 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9217:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9217 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9217:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9217 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9267:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9267 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9267:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9267 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9269:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9269 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9269:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9269 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9273:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9273 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9273:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9273 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9275:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9275:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9277:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9277 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9277:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9277 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9391:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9391 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9391:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9391 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAngle_SetAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9473:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9473:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9481:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9481:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9485:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9485 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9485:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9485 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAngleData_FillAngleArray(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9531:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9531 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9531:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9531 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9541:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9541 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9541 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBVibrationData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9727:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9727 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9727:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9727 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOrbital_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9918:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9918 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9918 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9924:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9924 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9924:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9924 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9932:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9932 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9932:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9932 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9938:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9938 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9938:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9938 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOrbitalData_SetHOMO(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10041:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10041:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10047:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBVectorData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10429:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10429 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10429:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10429 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10431:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10431 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10431:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10431 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10435:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetAxes(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10812:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10822:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10822 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10822:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10822 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10824:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10824 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10824:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10824 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10826:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10826 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10826:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10826 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10828:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10828 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10828:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10828 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetNumberOfPoints(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10868:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10868 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10868:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10868 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10872 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10872 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10874:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10874 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10874:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10874 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10935:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10935 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10935:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10935 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10937:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10937 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10937:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10937 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10941:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10941 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10941:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10941 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetOriginVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11000:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11000 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11000:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11000 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11004:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11004 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11004:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11004 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_SetLimits(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11107:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11107 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11107:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11107 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11109:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11109 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11109:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11109 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11111:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11111 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11111:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11111 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11113:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11113 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11113:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11113 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11115:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11115 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11115:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11115 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11119:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11119 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11119:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11119 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_Dummy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11194:45: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11194 | XS(_wrap_new_Dummy) { { int argvi = 0; std::binary_function< char const *,char const *,bool > *result = 0 ; dXSARGS;
      |                                             ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11196:20: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11196 |     result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                    ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11196:81: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11196 |     result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                                 ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_delete_Dummy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11200:10: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11200 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11200:74: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11200 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |                                                                          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11206:36: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11206 |      arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1;
      |                                    ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_CharPtrLess___call__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11222:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11222 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11222:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11222 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11223:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11223 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11223:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11223 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11271:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11271 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11271:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11271 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11272 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11272:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11272 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11289:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11289 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11289:47: note: in expansion of macro ‘XSRETURN’
11289 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11294:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11294:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11296:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11296 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11296:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11296 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11302:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11302 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11302:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11302 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11304:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11304 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11304:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11304 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_GetPlugin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11345 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11345:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11345 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11346:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11346 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11346:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11346 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11369:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11369 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11369:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11369 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11370:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11370 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11370:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11370 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_List__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11402:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11402 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11402:47: note: in expansion of macro ‘XSRETURN’
11402 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_List(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11410:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11410 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11410:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11410 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11415:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11415 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11415 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11434:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11434 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11434:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11434 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11435:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11435 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11435:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11435 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11443:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11443 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11443:47: note: in expansion of macro ‘XSRETURN’
11443 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_FirstLine(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11464:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11464 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11464:47: note: in expansion of macro ‘XSRETURN’
11464 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Begin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11473:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11473 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11473:47: note: in expansion of macro ‘XSRETURN’
11473 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_End(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11482:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11482 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11482:47: note: in expansion of macro ‘XSRETURN’
11482 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11541:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11541 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11541:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11541 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11542:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11542 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11542:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11542 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11543:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11543 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11543:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11543 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11544:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11544 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11544:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11544 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11578 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11578:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11578 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11579:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11579 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11579:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11579 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11580 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11580:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11580 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11581:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11581 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11581:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11581 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11608:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11608 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11608:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11608 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11609:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11609 |     if (SWIG_IsNewObj(res4)) delete arg4; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11609:43: note: in expansion of macro ‘XSRETURN’
11609 |     if (SWIG_IsNewObj(res4)) delete arg4; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11610:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11610 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11610:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11610 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11633 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11633:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11633 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11635:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11635 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11635:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11635 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_4(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11651:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11651 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11651:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11651 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11652:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11652 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11652:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11652 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_5(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11662:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11662 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11662:43: note: in expansion of macro ‘XSRETURN’
11662 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11675:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11675 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11675 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11677:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11677 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11677:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11677 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11681:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11681 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11681:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11681 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11683:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11683 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11683:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11683 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11685:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11685 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11685:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11685 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11689 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11689 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11691:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11691 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11691:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11691 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11693 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11693 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11695:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11695 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11695 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11699 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11699 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11701:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11701 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11701:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11701 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11703 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11703 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11705:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11705 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11705:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11705 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11707:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11707 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11707:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11707 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11711:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11711 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11711:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11711 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11713:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11713 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11713:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11713 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11715:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11715 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11715:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11715 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11717:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11717 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11717 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11719 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11719 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___lshift__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11757:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11757 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11757:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11757 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11759:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11759 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11759:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11759 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11763:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11763 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11763:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11763 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11769:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11769 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11769:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11769 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11775:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11775 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11775:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11775 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11777:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11777 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11777:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11777 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11917 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11917:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11917 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11918:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11918 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11918:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11918 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11939 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11939:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11939 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11940:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11940 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11940:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11940 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_4(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11958:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11958 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11958:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11958 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11959:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11959 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11959:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11959 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11963:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11963 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11963:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11963 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11965:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11965 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11965:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11965 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11969 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11969 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11971:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11971 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11971:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11971 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11977:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11977 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11977:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11977 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11979:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11979 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11979:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11979 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11981:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11981 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11981:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11981 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11985:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11985 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11985:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11985 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11987:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11987 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11987:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11987 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11989:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11989 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11989:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11989 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11995:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11995 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11995:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11995 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11997:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11997 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11997:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11997 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11999:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11999 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11999:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11999 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12183:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12183 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12183:47: note: in expansion of macro ‘XSRETURN’
12183 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12313:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12313 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12313:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12313 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12314:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12314 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12314:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12314 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12325:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12325 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12325:47: note: in expansion of macro ‘XSRETURN’
12325 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12330:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12330 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12330:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12330 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12336:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12336 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12336:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12336 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12362:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12362 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12362:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12362 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12363:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12363 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12363:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12363 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12380 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12380:47: note: in expansion of macro ‘XSRETURN’
12380 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12385:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12385 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12385:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12385 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12387:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12387 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12387:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12387 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12393:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12393 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12393 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12395:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12395 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12395:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12395 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_FormatFromMIME(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12411:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12411 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12411:47: note: in expansion of macro ‘XSRETURN’
12411 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBConversion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12487:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12487 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12487:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12487 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12498:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12498 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12498:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12498 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12528:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12528 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12528:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12528 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12529:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12529 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12529:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12529 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12542:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12542 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12542:47: note: in expansion of macro ‘XSRETURN’
12542 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12549:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12549 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12549:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12549 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12555:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12555 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12555:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12555 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FindFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12570:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12570 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12570:47: note: in expansion of macro ‘XSRETURN’
12570 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FindFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12584:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12584 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12584:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12584 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12601:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12601 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12601:47: note: in expansion of macro ‘XSRETURN’
12601 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12616:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12616 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12616:47: note: in expansion of macro ‘XSRETURN’
12616 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12644:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12644 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12644 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12659:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12659 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12659:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12659 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromMIME(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12674 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12674:47: note: in expansion of macro ‘XSRETURN’
12674 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInStream(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12724:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12724 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12724 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12730 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12730 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutStream(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12766:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12766:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12772:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12772:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12801:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12801 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12801:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12801 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12802:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12802 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12802:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12802 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12819:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12819 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12819:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12819 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12820:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12820 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12820:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12820 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12834 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12834:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12834 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12835:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12835 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12835:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12835 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12895:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12895 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12895:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12895 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12897:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12897:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12899:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12899 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12899:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12899 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12910:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12910 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12910:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12910 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12914:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12914 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12914 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12920:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12920 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12920:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12920 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12929 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12929 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12931 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12931 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12933:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12933 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12933:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12933 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12941:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12941 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12941:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12941 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12971:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12971 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12971:47: note: in expansion of macro ‘XSRETURN’
12971 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12983:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12983 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12983:47: note: in expansion of macro ‘XSRETURN’
12983 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13017:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13017 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13017:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13017 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13021:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13021 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13021:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13021 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13027 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13027 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13029 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13029 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13035 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13035 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13060:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13060 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13060:47: note: in expansion of macro ‘XSRETURN’
13060 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13072 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13072:47: note: in expansion of macro ‘XSRETURN’
13072 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13104:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13104 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13104:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13104 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13106:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13106 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13106:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13106 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13110:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13110 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13110:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13110 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13116:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13116 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13116:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13116 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13118 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13118 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13124:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13124 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13124:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13124 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_IsOption__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13247:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13247 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13247:47: note: in expansion of macro ‘XSRETURN’
13247 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_IsOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13263:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13263 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13263:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13263 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13269:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13269 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13269:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13269 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13324 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13324:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13324 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13334:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13334 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13334:47: note: in expansion of macro ‘XSRETURN’
13334 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13339:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13339 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13339:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13339 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13345:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13345 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13345:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13345 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13352:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RemoveOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13378:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13378 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13378:47: note: in expansion of macro ‘XSRETURN’
13378 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOptions(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13394:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13394 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13394:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13394 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterOptionParam(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13443:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13443 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13443:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13443 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13445:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13445:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13449:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13449 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13449:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13449 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13458:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13458 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13458:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13458 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_CopyOptions(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13507:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13507 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13507:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13507 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13509:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13509 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13509:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13509 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13513:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13513 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13513:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13513 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13515:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13515 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13515:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13515 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Convert(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13566:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13566 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13566:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13566 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13570:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13570 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13570:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13570 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetFirstInput(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13660:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13660 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13660:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13660 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13664:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13664 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13664:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13664 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOneObjectOnly(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13717:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13717 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13717 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13721:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13721 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13721:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13721 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Write(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13789:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13789 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13789:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13789 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13791:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13791 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13791:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13791 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13795:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13795 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13795:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13795 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13797:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13797 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13797:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13797 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_WriteString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13834:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13834:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13840:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13842:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13842 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13842:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13842 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Read(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13900:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13902:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13902 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13902:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13902 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13906:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13906 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13906:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13906 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13908:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13908 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13908:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13908 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_ReportNumberConverted(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13986 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13986 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13992 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13992 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13996:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13996 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13996:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13996 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14081:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14081 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14081:43: note: in expansion of macro ‘XSRETURN’
14081 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetNum(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14105 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14105 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14107:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14107 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14107:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14107 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14111 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14111 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14113:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14113 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14113:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14113 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetAtomID(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14173:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14173 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14173:43: note: in expansion of macro ‘XSRETURN’
14173 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_GetBonds(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14298:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14298 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14298:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14298 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14302:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14302 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14302:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14302 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBInternalCoord(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14677:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14677 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14677:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14677 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14681:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14681 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14681:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14681 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14683:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14683 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14683:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14683 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14687:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14687 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14687:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14687 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14689 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14689 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14691:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14691 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14691:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14691 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14695:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14695 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14695 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14697:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14697 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14697:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14697 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14699 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14699 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14705:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14705 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14705:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14705 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14707:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14707 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14707:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14707 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14709:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14709 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14709 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14717:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14717 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14717 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14719 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14719 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14721:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14721 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14721:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14721 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14883 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14883:47: note: in expansion of macro ‘XSRETURN’
14883 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14896:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14896 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14896:43: note: in expansion of macro ‘XSRETURN’
14896 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14900:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14902:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14902 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14902:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14902 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14906:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14906 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14906:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14906 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14971:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14971 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14971:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14971 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14975:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14975:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14977:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14977 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14977:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14977 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14981:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14981 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14981:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14981 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15032:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15032 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15032:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15032 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15036:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15036 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15036 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15062 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15062 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15066:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15066 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15066:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15066 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15304:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15304 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15304:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15304 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15308:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15308 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15308:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15308 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15473:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15473:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15483 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15483 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15522:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15522 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15522:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15522 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15524:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15524 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15524:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15524 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15526:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15526 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15526:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15526 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15530:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15530 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15530:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15530 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15662:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15662 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15662:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15662 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15666:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15666 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15666:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15666 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15954 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15954 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15958:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15958 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15958:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15958 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16032:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16032 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16032:47: note: in expansion of macro ‘XSRETURN’
16032 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16148:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16148 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16148:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16148 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16154:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16154 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16154:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16154 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16156:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16156 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16156:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16156 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16205:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16205 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16205:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16205 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16209:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16209 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16209:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16209 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16235:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16235 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16235:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16235 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16239:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16239 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16239 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16265:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16265 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16265:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16265 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16269:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16269 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16269:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16269 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16295:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16295 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16295:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16295 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16299 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16299 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16325:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16325 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16325:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16325 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16329:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16329 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16329:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16329 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16355:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16355 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16355:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16355 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16359:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16359 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16359:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16359 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16435:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16435 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16435 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16439:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16439 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16439:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16439 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16464:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16464 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16464:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16464 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16468:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16468:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16564:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16564 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16564:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16564 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16568:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16568 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16568:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16568 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16687:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16687 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16687:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16687 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16787:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16787 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16787:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16787 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16789:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16789 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16789:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16789 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16793:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16793 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16793:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16793 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16795:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16795 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16795:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16795 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16887:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16887 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16887:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16887 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16891:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16891 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16891:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16891 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16900:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16900 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16900 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16910:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16910 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16910:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16910 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NewAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16960:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16960 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16960:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16960 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16964:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16964 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16964:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16964 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NewBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16993:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16993 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16993:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16993 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16997:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16997 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16997:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16997 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16999:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16999 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16999:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16999 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17041:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17041:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17043:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17043:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17047:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17049:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17049 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17049:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17049 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17086:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17086 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17086:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17086 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17094:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17094 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17094:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17094 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteResidue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17131:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17131 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17131:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17131 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17133:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17133 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17133:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17133 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17137:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17137 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17137:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17137 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17139:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17139 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17139:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17139 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_EndModify(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17171 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17171 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17175:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17175:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17227:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17227:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17231:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17231 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17231:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17231 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NumRotors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17290:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17290 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17290:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17290 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17294:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17294 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17294:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17294 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17389:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17389 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17389:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17389 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17395:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17395 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17395:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17395 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17397:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17397 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17397:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17397 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17399:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17399 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17399:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17399 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17403:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17403 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17403:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17403 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetTorsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17477 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17477 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17479 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17479 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17481:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17481 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17481:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17481 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17483 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17483 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17487:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17487 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17487:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17487 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17555 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17555:47: note: in expansion of macro ‘XSRETURN’
17555 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17570:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17570 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17570:47: note: in expansion of macro ‘XSRETURN’
17570 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17594 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17594 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17598:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17598 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17598:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17598 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17604:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17604 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17604:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17604 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17611:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17611 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17611:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17611 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetMolWt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17651:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17651 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17651:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17651 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17655:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17655 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17655:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17655 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetExactMass(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17683:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17683 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17683:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17683 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17687:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17687 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17687:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17687 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetTitle__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17767 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17767:47: note: in expansion of macro ‘XSRETURN’
17767 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17784:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17784 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17784:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17784 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17786:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17786 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17786 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17790:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17790 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17790:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17790 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetAromaticPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17901:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17901 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17901:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17901 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17905:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17905 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17905:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17905 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetSSSRPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17931 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17931 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17935:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17935 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17935:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17935 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetLSSRPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17961:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17961 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17961:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17961 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17965:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17965 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17965:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17965 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetRingAtomsAndBondsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17992 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17992 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17996:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17996 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17996:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17996 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetAtomTypesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18023:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetRingTypesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18054:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18054 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18054:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18054 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18058:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetChainsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18085:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18085 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18085:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18085 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18089:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18089 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18089:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18089 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetChiralityPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18116:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18116:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18120:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18120 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18120:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18120 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetPartialChargesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18147:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18147 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18147 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18151:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetHybridizationPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18178 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18178 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18182:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18182 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18182:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18182 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetClosureBondsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18209:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18209 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18209:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18209 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18213:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18213 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18213:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18213 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetHydrogensAdded(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18239:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetCorrectedForPH(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18269:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18269 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18269:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18269 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18273:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18273 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18273:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18273 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetSpinMultiplicityAssigned(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18300:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18300 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18300:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18300 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18304:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18304 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18304:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18304 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetIsPatternStructure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18331:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18331 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18331:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18331 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18335:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18335 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18335:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18335 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetIsReaction(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18361:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18361 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18361:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18361 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18365:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18365 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18365:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18365 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetPeriodicMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18391:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18391 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18391:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18391 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18395:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18395 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18395:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18395 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_RenumberAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18481:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18481:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_ToInertialFrame(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18521:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18521 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18521:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18521 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18525:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18525 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18525:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18525 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Translate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18564:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18564 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18564:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18564 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18566:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18566 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18566:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18566 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18570:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18570 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18570:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18570 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18572:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18572 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18572:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18572 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Rotate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18615:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18615 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18615:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18615 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18621:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18621 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18621:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18621 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18627 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18627 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18664:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18664 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18664:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18664 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18668:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18668 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18668:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18668 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18670:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18670 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18670:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18670 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18766:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18766:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18770:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18770:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18772:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18772:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18776:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18776:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18782:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18782 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18782 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18790:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18790 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18790:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18790 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddNewHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18866:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18866 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18866:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18866 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18872 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18872 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18880:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18880 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18880 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_StripSalts(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Separate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18950:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18950 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18950:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18950 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18954 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18954 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_CopySubstructure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19109:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19109 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19109:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19109 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19111 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19111 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19113:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19113 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19113:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19113 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19117 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19117 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19119:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19119 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19119:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19119 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19121:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19123:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19123:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19127:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19127 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19127:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19127 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19129 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19129 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19131:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19131 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19131:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19131 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19133:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19133 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19133:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19133 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19135:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19135 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19135:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19135 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19139:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19139 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19139:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19139 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19141:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19141 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19141:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19141 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19143:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19143 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19143:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19143 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19145 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19145 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19147:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19147 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19147 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19149:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19149 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19149:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19149 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19153:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19153 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19153 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19155:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19155 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19155:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19155 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19157:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19157 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19157:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19157 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19159 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19159 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19161:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19161 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19161:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19161 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19163:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19163 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19163:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19163 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19165:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19165 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19165 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_CorrectForPH(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19216:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19216 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19216:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19216 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19220:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19220 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19220:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19220 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AssignSpinMultiplicity(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19249:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19249 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19249:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19249 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19253:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19253 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19253:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19253 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Center(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19285 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19285 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19289:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19289 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19289:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19289 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_FindChildren(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19381:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19381 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19381:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19381 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19383:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19383 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19383:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19383 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19390:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19390:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19394:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19394 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19394:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19394 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Has2D(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19533:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19533 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19533 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetEnergy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19795:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19795 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19795:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19795 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19799:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19799 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19799:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19799 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_ThrowError__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20009:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20009 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20009:47: note: in expansion of macro ‘XSRETURN’
20009 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_ThrowError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20022:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20022 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20022:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20022 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_NewExtension(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20071:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20071:47: note: in expansion of macro ‘XSRETURN’
20071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing__path_set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20160:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20160 |     if (arg1) (arg1)->_path = *arg2; ST(argvi) = &PL_sv_undef; XSRETURN(argvi); fail: SWIG_croak_null(); }  }
      |     ^~
In file included from /usr/lib64/perl5/CORE/perl.h:6194:
/usr/lib64/perl5/CORE/embedvar.h:285:49: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  285 | # define PL_stack_base                          (vTHX->Istack_base)
      |                                                 ^
/usr/lib64/perl5/CORE/XSUB.h:117:17: note: in expansion of macro ‘PL_stack_base’
  117 | #define ST(off) PL_stack_base[ax + (off)]
      |                 ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20160:38: note: in expansion of macro ‘ST’
20160 |     if (arg1) (arg1)->_path = *arg2; ST(argvi) = &PL_sv_undef; XSRETURN(argvi); fail: SWIG_croak_null(); }  }
      |                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20237:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20237 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20237:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20237 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20241:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20241 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20241:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20241 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20247:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20247 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20247:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20247 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20286:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20286 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20286:47: note: in expansion of macro ‘XSRETURN’
20286 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20303 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20303 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20309:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_IsMember(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20355:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20355 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20355:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20355 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20357:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20357 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20357:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20357 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20361:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20361 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20361:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20361 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20363:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20363 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20363:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20363 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20607:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20607 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20607:47: note: in expansion of macro ‘XSRETURN’
20607 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20621 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20621:43: note: in expansion of macro ‘XSRETURN’
20621 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20625:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20625 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20625:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20625 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20631:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20631 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20631:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20631 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20819:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20819 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20819:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20819 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20821:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20821 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20821:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20821 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20825:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20825 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20825:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20825 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20827:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20827 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20827:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20827 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20833 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20833 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20835:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20835 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20835:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20835 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20841:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20841 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20841:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20841 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20843:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20843 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20843 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_RestrictedMatch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20954 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20954 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20956:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20956 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20956:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20956 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20962:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20962 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20962 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20964:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20964 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20964:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20964 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20970:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20970 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20970:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20970 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20972 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20972 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20980:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20980 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20980 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20982 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20982 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsMatcher_match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21114:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21114:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21116:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21116:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21124:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21124 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21124:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21124 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21126:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21126 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21126:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21126 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21128:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21128 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21128 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSSMatch_Match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21188:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21188 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21188:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21188 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21194 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21194 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21233 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21233:43: note: in expansion of macro ‘XSRETURN’
21233 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21243:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21243 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21243:47: note: in expansion of macro ‘XSRETURN’
21243 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21248:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21248 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21248:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21248 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21250:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21254:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21254 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21254:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21254 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_GetAlias(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21283:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21283 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21283:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21283 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21366:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21366 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21366:47: note: in expansion of macro ‘XSRETURN’
21366 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21376:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21376 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21376:47: note: in expansion of macro ‘XSRETURN’
21376 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21384:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21384 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21384:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21384 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21399:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21399 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21399:47: note: in expansion of macro ‘XSRETURN’
21399 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Predict(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21431:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21431:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21433:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21433 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21433:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21433 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21437:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21437 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21437:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21437 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21439:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21439 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21439:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21439 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21441:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21441 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21441:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21441 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_PredictAndSave(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21476:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21478:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21478 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21478:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21478 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21482:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21482 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21482:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21482 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21484 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21484 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21486:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21486 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21486:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21486 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_GetStringValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21532:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21532 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21532:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21532 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21534:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21534 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21534:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21534 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21536:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21536 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21536:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21536 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21540:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21540 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21540:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21540 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21542 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21542 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21544:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21544 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21544 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21546:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21546 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21546:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21546 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Compare(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21598:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21598 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21598:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21598 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21600 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21600 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21602:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21602 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21602:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21602 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21608:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21608:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21610:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21612:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21612 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21612 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21616:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21616 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21616 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21640:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21640 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21640:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21640 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21641:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21641 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21641:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21641 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21658:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21658 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21658:47: note: in expansion of macro ‘XSRETURN’
21658 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21665:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21665 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21665:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21665 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21671:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21671 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21671 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21673:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21673 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21673:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21673 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Order(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21720:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21720 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21720:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21720 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21722:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21722 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21722:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21722 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21724:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21724 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21724 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_AddProperties(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21756:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21756 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21756:43: note: in expansion of macro ‘XSRETURN’
21756 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_DeleteProperties(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21768:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21768 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21768:43: note: in expansion of macro ‘XSRETURN’
21768 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_GetValues(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21781:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21781 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21781:43: note: in expansion of macro ‘XSRETURN’
21781 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23059 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23059:47: note: in expansion of macro ‘XSRETURN’
23059 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23084:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23084 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23084:43: note: in expansion of macro ‘XSRETURN’
23084 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23093 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23093:47: note: in expansion of macro ‘XSRETURN’
23093 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23098:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23098:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SetParameterFile(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23118:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23118 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23118:43: note: in expansion of macro ‘XSRETURN’
23118 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23170:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23170 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23170:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23170 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23172:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23172 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23172:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23172 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23176:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23176:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_GetGrid(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23370:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23370 |     if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23370:47: note: in expansion of macro ‘XSRETURN’
23370 |     if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_GetGradient(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23587:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23587 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23587:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23587 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23589:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23589 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23589:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23589 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23593:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23593 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23593:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23593 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23595:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_Energy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23632:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23632 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23632:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23632 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23636:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23636 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23636:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23636 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Bond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23665:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23665 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23665:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23665 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23669:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23669 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23669:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23669 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Angle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23698:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23698 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23698:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23698 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23702:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23702 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23702:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23702 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_StrBnd(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23731:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23731 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23731:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23731 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Torsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23764:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23768:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23768 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23768 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_OOP(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23797:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23797 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23797:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23797 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23801:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23801 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23801:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23801 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_VDW(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23830:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23830 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23830:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23830 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23834:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23834 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23834:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23834 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Electrostatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23863:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23863 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23863:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23863 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23867:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23867 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23867:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23867 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_OBFFLog__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23951:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23951 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23951:47: note: in expansion of macro ‘XSRETURN’
23951 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_OBFFLog(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23956:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23956 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23956:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23956 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23958:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23958 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23958:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23958 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23962:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23962 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23962 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24010:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24010 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24010:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24010 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24014:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24014 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24014:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24014 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24016:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24016 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24016:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24016 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24020:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24020 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24020:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24020 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24022:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24022 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24022:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24022 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearchInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24069:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24069 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24069:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24069 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24073:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24073 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24073 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24075 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24075 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24079 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24079 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24081:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24081 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24081:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24081 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearchNextConformer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24112:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24112 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24112:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24112 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24116:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24116 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24116:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24116 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24118 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24118 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24167:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24167 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24167:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24167 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24169:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24173:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24173 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24173 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24175:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24175:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24177:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24177 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24177:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24177 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24181:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24181 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24181:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24181 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24183 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24183 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24185:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24185 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24185:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24185 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearchInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24239:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24245:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24245:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24251 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24251 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24253:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24253 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24253:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24253 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24255 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24255 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearchNextConformer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24286:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24286 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24286:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24286 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24290:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24290:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24292:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24292 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24292:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24292 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_WeightedRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24331:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24331 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24331:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24331 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24333:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24333 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24333:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24333 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24335:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24335 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24335:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24335 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24339:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24339 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24339:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24339 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24341:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24343:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24343 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24343:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24343 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_LineSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24403:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24403 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24403:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24403 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24405:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24405 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24405:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24405 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24407:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24407 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24407:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24407 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24411:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24411:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SteepestDescent(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24489:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24495:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24495 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24495 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24503:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24503 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24503:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24503 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SteepestDescentInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24562:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24562 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24562:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24562 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24566:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24566 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24566:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24566 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24572:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24572 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24572:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24572 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24580:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24580 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24580:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24580 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_ConjugateGradients(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24644:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24644 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24644 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24650:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24650 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24650:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24650 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24658:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24658 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24658:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24658 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_ConjugateGradientsInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24717:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24717 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24717 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24721:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24721 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24721:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24721 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24727:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24727 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24727:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24727 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24735 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24735 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_MolecularDynamicsTakeNSteps(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24831:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24831 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24831:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24831 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24841:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24841 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24841:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24841 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorAngleDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25158:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25158 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25158:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25158 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25160:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25160 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25160:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25160 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25162:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25162 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25162:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25162 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorOOPDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25245:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25245 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25245:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25245 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25247:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25247 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25247:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25247 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25249:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25249 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25249:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25249 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25251:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25251 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25251:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25251 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorTorsionDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25338:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25338 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25338:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25338 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25340:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25340 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25340:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25340 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25342:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25342 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25342:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25342 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25344:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25344 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25344:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25344 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_Build(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25586:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25586 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25586:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25586 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25588:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25588 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25588:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25588 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25592:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25592:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_GetNewBondVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25676:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25676:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25680:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_Connect(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25768:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25768 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25768 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25775:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25775 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25775:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25775 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25784:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25784 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25784:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25784 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25793:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25793 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25793:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25793 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_CorrectStereoAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25861:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25861 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25861:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25861 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25865:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25865 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25865:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25865 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25921:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25921 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25921:47: note: in expansion of macro ‘XSRETURN’
25921 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25947:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25947 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25947:47: note: in expansion of macro ‘XSRETURN’
25947 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25968 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25968:47: note: in expansion of macro ‘XSRETURN’
25968 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25984:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25984 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25984:47: note: in expansion of macro ‘XSRETURN’
25984 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26000:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26000 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26000:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26000 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26002:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26002 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26002:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26002 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26006:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26006 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26006:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26006 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26014:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26014 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26014:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26014 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26016:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26016:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26024:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26024 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26024:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26024 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26026:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26026 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26026:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26026 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBRotorRule(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26113:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26113 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26113:47: note: in expansion of macro ‘XSRETURN’
26113 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_SetDihedralAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26301:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26301 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26301:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26301 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26303:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26303 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26303:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26303 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26307 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26307 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_SetRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26403:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26403 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26403:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26403 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_Set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26491:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26498:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26498 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26498:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26498 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26507:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26507 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26507:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26507 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_GetDihedralAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26566:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26566 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26566:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26566 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26570:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26570 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26570:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26570 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotorList_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26821:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26821 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26821:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26821 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26827:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26827 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26827:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26827 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26829:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26829 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26829:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26829 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotorList_FindRotors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26914:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26918:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26920:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26920 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26920:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26920 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27222:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27222 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27222:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27222 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27224:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27224 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27224:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27224 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27230:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27230:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27232:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27232 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27232:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27232 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27234:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27234 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27234:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27234 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_AddRotamer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27311:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27317:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27317 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27317:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27317 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27319:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27319 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27319:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27319 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27323:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27323 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27323:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27323 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_SetBaseCoordinateSets(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27458:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27458 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27458:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27458 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27460:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27460 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27460:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27460 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27464:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27464 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27464:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27464 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27468:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27468:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27579:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27631:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27631 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27631:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27631 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27787:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27787 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27787:47: note: in expansion of macro ‘XSRETURN’
27787 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27800:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27800 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27800:43: note: in expansion of macro ‘XSRETURN’
27800 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27804:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27804 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27804:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27804 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27806 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27806 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27810:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27810 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27810:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27810 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27866:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27866 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27866:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27866 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27870 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27870 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27872:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27872 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27872:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27872 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27876 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27876 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27938:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27938 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27938:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27938 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27942:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27942 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27942:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27942 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27973:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28213:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28213 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28213:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28213 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28217:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28217 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28217:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28217 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28385:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28385 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28385:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28385 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28387:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28387 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28387:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28387 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28391:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28391 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28391:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28391 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28393:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28393 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28393 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28397:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28397 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28397:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28397 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28436:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28436 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28436:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28436 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28438:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28438 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28438:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28438 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28440:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28444:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28444 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28444:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28444 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28578:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28578 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28578:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28578 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28582:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28582:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28889:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28969:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28969 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28969:47: note: in expansion of macro ‘XSRETURN’
28969 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29025:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29025 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29025:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29025 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29029 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29029 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29045:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29045 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29045:47: note: in expansion of macro ‘XSRETURN’
29045 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29059 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29059:43: note: in expansion of macro ‘XSRETURN’
29059 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29070:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29070 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29070:47: note: in expansion of macro ‘XSRETURN’
29070 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29086:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29086 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29086:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29086 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29094:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29094 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29094:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29094 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29098:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29098 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29098:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29098 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29152:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29152 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29152:43: note: in expansion of macro ‘XSRETURN’
29152 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29156:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29156 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29156:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29156 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29158:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29158 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29158:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29158 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29162:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29162 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29162 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29168 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29168 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29170:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29170 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29170:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29170 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29174:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29174 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29174:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29174 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29176:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29176 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29176:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29176 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29227:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29227 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29227:43: note: in expansion of macro ‘XSRETURN’
29227 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29239 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29239:47: note: in expansion of macro ‘XSRETURN’
29239 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29268 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29268 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29272:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29272 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29272:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29272 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29274:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29274 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29274:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29274 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29278:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29278 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29278:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29278 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29284:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29284 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29284 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29286:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29286 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29286:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29286 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29290:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29290 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29290:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29290 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomDFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29372:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29372 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29372:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29372 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29380:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29380 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29380:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29380 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29429:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29429 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29429:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29429 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29433:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29433 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29433:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29433 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29597:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29597 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29597:47: note: in expansion of macro ‘XSRETURN’
29597 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29610:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29610 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29610:43: note: in expansion of macro ‘XSRETURN’
29610 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29614:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29614:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29616:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29676:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29676:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29680:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29682:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29682 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29682:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29682 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29686:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29686 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29686 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29748 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29748 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29752:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29752 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29752:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29752 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29779:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29779 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29779:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29779 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29783:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29783 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29783:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29783 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30023:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30195:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30195 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30195:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30195 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30197:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30197 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30197:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30197 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30201:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30201 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30201 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30203:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30203 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30203:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30203 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30207:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30207 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30207:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30207 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30247 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30247 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30249:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30249 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30249:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30249 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30391:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30391 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30391:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30391 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30395:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30395 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30395:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30395 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30699 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30699 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30703 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30703 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30783:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30783 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30783:47: note: in expansion of macro ‘XSRETURN’
30783 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30839:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30839 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30839 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30843:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30843 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30843 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30859:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30859 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30859:47: note: in expansion of macro ‘XSRETURN’
30859 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30873:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30873 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30873:43: note: in expansion of macro ‘XSRETURN’
30873 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30884:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30884 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30884:47: note: in expansion of macro ‘XSRETURN’
30884 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30900:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30902:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30902 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30902:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30902 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30906:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30906 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30906:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30906 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30908:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30908 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30908:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30908 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30966:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30966 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30966:43: note: in expansion of macro ‘XSRETURN’
30966 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30970:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30970 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30970:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30970 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30984:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30984:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30990 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30990 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31041:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31041 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31041:43: note: in expansion of macro ‘XSRETURN’
31041 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31053:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31053 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31053:47: note: in expansion of macro ‘XSRETURN’
31053 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31082:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31082 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31082:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31082 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31086:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31086 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31086:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31086 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31088 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31088 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31092 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31092 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31098:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31098 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31098:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31098 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31100:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31100 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31100:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31100 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31104:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31104 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31104:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31104 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomBFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31188:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31188 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31188:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31188 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31196:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31196 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31196:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31196 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31245:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31245 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31245:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31245 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31249:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31249 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31249:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31249 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31414:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31414 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31414:47: note: in expansion of macro ‘XSRETURN’
31414 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31427:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31427 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31427:43: note: in expansion of macro ‘XSRETURN’
31427 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31431:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31431:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31433:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31433 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31433:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31433 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31437:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31437 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31437:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31437 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31493:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31497:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31497 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31497:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31497 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31499:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31499 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31499:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31499 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31503:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31503 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31503:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31503 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31565:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31565 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31565:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31565 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31569:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31569 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31569:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31569 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31596:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31596 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31596:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31596 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31600 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31600 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31840:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31840 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31840 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31844:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31844 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31844:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31844 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32012:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32012 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32012:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32012 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32014:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32014 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32014:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32014 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32018:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32018:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32020:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32020 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32020:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32020 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32024:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32024 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32024:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32024 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32064:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32064 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32064:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32064 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32066:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32066 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32066:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32066 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32068:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32068 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32068:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32068 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32072:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32072 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32072:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32072 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32208:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32208 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32208:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32208 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32212:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32212 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32212:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32212 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32516:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32516 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32516:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32516 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32520:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32520 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32520 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32600:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32600 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32600:47: note: in expansion of macro ‘XSRETURN’
32600 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32656:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32656 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32656:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32656 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32660:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32660 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32660:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32660 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32676:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32676 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32676:47: note: in expansion of macro ‘XSRETURN’
32676 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32690:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32690 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32690:43: note: in expansion of macro ‘XSRETURN’
32690 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32701 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32701:47: note: in expansion of macro ‘XSRETURN’
32701 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32717:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32717 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32717 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32725:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32729:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32729 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32729 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32783:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32783 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32783:43: note: in expansion of macro ‘XSRETURN’
32783 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32787:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32787 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32787:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32787 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32789:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32789 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32789:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32789 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32793:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32793 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32793:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32793 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32799:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32799 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32799:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32799 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32801:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32801 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32801:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32801 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32805:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32805 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32805:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32805 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32807:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32807 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32807 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32858:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32858 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32858:43: note: in expansion of macro ‘XSRETURN’
32858 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32870:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32870 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32870:47: note: in expansion of macro ‘XSRETURN’
32870 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32899:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32899 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32899:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32899 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32905:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32905 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32905:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32905 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32909:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32909 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32909:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32909 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32915:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32915 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32915:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32915 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32917 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32917 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32921:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32921 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32921 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBMolBondBFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33005:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33005 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33005:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33005 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33013:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33013 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33013:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33013 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33062 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33062 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33066:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33066 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33066:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33066 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33205:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33205 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33205:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33205 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33211:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33211 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33211:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33211 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33213:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33213 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33213:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33213 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33263:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33263 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33263:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33263 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33267:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33267 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33267:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33267 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33294:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33294:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33298:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33298:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33325:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33325 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33325:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33325 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33329:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33329 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33329:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33329 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33356 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33356 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33360:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33360 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33360:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33360 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33387:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33387 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33387:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33387 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33391:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33391 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33391:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33391 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33418:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33418:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33422:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33422 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33422:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33422 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33496 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33496 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33500:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33500 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33500:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33500 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33524:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33524 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33524:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33524 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33528:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33528 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33528:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33528 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33631:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33631 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33631:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33631 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33796:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33800:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33800 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33800 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33816:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33816 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33816:47: note: in expansion of macro ‘XSRETURN’
33816 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33830 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33830:43: note: in expansion of macro ‘XSRETURN’
33830 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33841:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33841 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33841:47: note: in expansion of macro ‘XSRETURN’
33841 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33857:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33857 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33857:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33857 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33859:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33859 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33859:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33859 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33863:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33863 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33863:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33863 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33865:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33865 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33865:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33865 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33869:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33869 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33869:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33869 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33923:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33923 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33923:43: note: in expansion of macro ‘XSRETURN’
33923 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33927:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33927 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33927:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33927 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33929 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33929 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33933:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33933 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33933:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33933 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33939:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33939 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33939:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33939 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33941:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33941 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33941:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33941 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33945:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33945 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33945:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33945 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33947:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33947 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33947:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33947 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33998:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33998 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33998:43: note: in expansion of macro ‘XSRETURN’
33998 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34010:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34010 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34010:47: note: in expansion of macro ‘XSRETURN’
34010 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34043:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34043 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34043:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34043 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34045:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34045 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34045:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34045 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34049:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34049 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34049:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34049 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34055:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34055 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34055:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34055 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34057:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34057 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34057:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34057 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34061:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34061 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34061 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolBondIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34133:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34133 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34133:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34133 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34181:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34181 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34181:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34181 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34185:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34185 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34185:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34185 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34315:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34321:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34321 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34321:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34321 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34323:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34323 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34323:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34323 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34377:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34377:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34408:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34408:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34435:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34435 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34435 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34439:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34439 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34439:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34439 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34466:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34466 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34466:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34466 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34470:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34470 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34470:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34470 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34497:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34497 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34497:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34497 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34501:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34501 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34501:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34501 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34528:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34528 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34528:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34528 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34532:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34532 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34532:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34532 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34606:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34606 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34606 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34610:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34634:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34634 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34634:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34634 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34638:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34638 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34638:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34638 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34737:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34737 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34737 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34906:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34906 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34906:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34906 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34910:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34910 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34910:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34910 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34926:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34926 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34926:47: note: in expansion of macro ‘XSRETURN’
34926 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34940:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34940 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34940:43: note: in expansion of macro ‘XSRETURN’
34940 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34951:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34951 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34951:47: note: in expansion of macro ‘XSRETURN’
34951 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34967:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34967 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34967:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34967 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34973:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34975:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34975:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34979:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34979 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34979:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34979 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35033:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35033 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35033:43: note: in expansion of macro ‘XSRETURN’
35033 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35037:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35037 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35037:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35037 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35043:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35043 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35043:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35043 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35049:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35049 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35049:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35049 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35051:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35051 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35051:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35051 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35055:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35055 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35055:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35055 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35057:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35057 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35057:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35057 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35108:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35108 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35108:43: note: in expansion of macro ‘XSRETURN’
35108 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35120:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35120 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35120:47: note: in expansion of macro ‘XSRETURN’
35120 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35149:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35149 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35149:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35149 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35153:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35153 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35153 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35155:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35155 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35155:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35155 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35159 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35159 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35165:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35165 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35165 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35167:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35167 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35167:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35167 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35171 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35171 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBAtomAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35242:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35242 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35242:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35242 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35292:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35292 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35292:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35292 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35296:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35296 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35296:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35296 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35452:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35452 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35452:47: note: in expansion of macro ‘XSRETURN’
35452 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35465:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35465 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35465:43: note: in expansion of macro ‘XSRETURN’
35465 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35469:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35469 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35469:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35469 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35475 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35475 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35531:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35531 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35531:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35531 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35535:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35535 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35535:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35535 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35537:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35537 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35537:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35537 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35541:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35541 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35541 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35603:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35603 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35603:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35603 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35607:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35607 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35607:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35607 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35634:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35634 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35634:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35634 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35638:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35638 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35638:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35638 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35882:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35882 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35882 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36050:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36050 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36050:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36050 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36056:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36058:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36103:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36103 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36103:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36103 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36105 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36105 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36109:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36109 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36109:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36109 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36243 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36243 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36550:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36550 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36550:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36550 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36554:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36554 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36554:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36554 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36634:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36634 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36634:47: note: in expansion of macro ‘XSRETURN’
36634 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36690:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36690 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36690:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36690 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36694:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36694 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36694:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36694 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36710:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36710 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36710:47: note: in expansion of macro ‘XSRETURN’
36710 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36724:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36724 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36724:43: note: in expansion of macro ‘XSRETURN’
36724 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36735:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36735 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36735:47: note: in expansion of macro ‘XSRETURN’
36735 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36751:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36751 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36751:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36751 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36753:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36753 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36753:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36753 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36757:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36757 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36757:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36757 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36759:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36759 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36759:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36759 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36763:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36763 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36763:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36763 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36817:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36817 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36817:43: note: in expansion of macro ‘XSRETURN’
36817 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36821:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36821 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36821:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36821 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36827:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36827 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36827:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36827 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36833 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36833 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36835:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36835 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36835:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36835 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36839:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36839 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36839 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36841:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36841 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36841:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36841 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36892:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36892 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36892:43: note: in expansion of macro ‘XSRETURN’
36892 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36904:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36904 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36904:47: note: in expansion of macro ‘XSRETURN’
36904 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36933:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36933 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36933:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36933 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36937:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36937 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36937:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36937 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36939:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36939 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36939:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36939 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36943:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36943 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36943 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36949:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36949 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36949:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36949 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36951:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36951 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36951:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36951 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36955:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36955 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36955:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36955 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBAtomBondIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37026:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37026 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37026:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37026 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37076:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37080:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37080 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37080:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37080 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37210:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37210:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37216:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37216:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37218:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37218 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37218:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37218 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37268 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37268 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37272:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37272 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37272:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37272 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37330:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37330 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37330:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37330 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37334:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37334:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37361:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37361 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37361:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37361 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37365:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37365 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37365:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37365 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37392:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37392 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37392:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37392 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37423:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37423 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37423:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37423 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37427:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37427 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37427:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37427 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37501:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37501 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37501:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37501 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37505:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37505 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37505:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37505 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37529:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37529 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37529:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37529 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37533:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37632:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37632 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37632:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37632 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37636:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37636 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37636:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37636 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37801:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37801 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37801:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37801 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37805:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37805 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37805:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37805 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37821:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37821 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37821:47: note: in expansion of macro ‘XSRETURN’
37821 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37835:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37835 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37835:43: note: in expansion of macro ‘XSRETURN’
37835 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37846 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37846:47: note: in expansion of macro ‘XSRETURN’
37846 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37862:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37862 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37862:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37862 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37864:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37864 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37864:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37864 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37868:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37868 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37868:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37868 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37870 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37870 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37874:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37874 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37874:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37874 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37928:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37928 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37928:43: note: in expansion of macro ‘XSRETURN’
37928 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37932:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37932 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37932:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37932 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37934:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37934 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37934 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37938:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37938 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37938:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37938 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37944:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37944 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37944:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37944 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37946 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37946 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37950:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37950 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37950:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37950 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37952 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37952 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38003:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38003 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38003:43: note: in expansion of macro ‘XSRETURN’
38003 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38015:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38015 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38015:47: note: in expansion of macro ‘XSRETURN’
38015 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38044:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38044 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38044:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38044 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38048:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38048 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38048:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38048 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38050:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38050 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38050:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38050 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38054:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38054 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38054:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38054 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38060:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38060 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38060:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38060 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38062 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38062 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38066:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38066 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38066:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38066 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBResidueIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38137:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38137 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38137:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38137 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38185:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38185:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38189:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38189:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38255:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38255 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38255:43: note: in expansion of macro ‘XSRETURN’
38255 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetNum(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38279:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38279 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38279:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38279 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetAtomID(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38347:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38347 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38347:43: note: in expansion of macro ‘XSRETURN’
38347 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetBonds(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38475 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38475 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38674:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38674 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38674:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38674 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38678 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38678 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38694:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38694 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38694:47: note: in expansion of macro ‘XSRETURN’
38694 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38708:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38708 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38708:43: note: in expansion of macro ‘XSRETURN’
38708 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38719:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38719 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38719:47: note: in expansion of macro ‘XSRETURN’
38719 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38737:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38737 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38737 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38743:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38743 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38743:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38743 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38747:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38747 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38747:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38747 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38801:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38801 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38801:43: note: in expansion of macro ‘XSRETURN’
38801 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38805:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38805 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38805:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38805 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38807:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38811:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38817:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38817 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38817:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38817 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38819:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38819 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38819:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38819 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38823 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38823 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38825:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38825 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38825:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38825 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38876:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38876 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38876:43: note: in expansion of macro ‘XSRETURN’
38876 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38888:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38888 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38888:47: note: in expansion of macro ‘XSRETURN’
38888 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38917 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38917 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38921:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38923:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38923 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38923:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38923 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38927:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38927 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38927:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38927 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38933:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38933 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38933:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38933 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38935:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38935 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38935:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38935 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38939:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38939 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38939:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38939 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBResidueAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39010:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39010 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39010:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39010 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39060:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39060 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39060:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39060 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39064:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39064 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39064:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39064 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39220:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39220 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39220:47: note: in expansion of macro ‘XSRETURN’
39220 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39233 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39233:43: note: in expansion of macro ‘XSRETURN’
39233 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39239:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39305:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39305 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39305:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39305 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39309:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39309 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39309 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39371:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39371 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39371:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39371 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39375:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39375 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39375:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39375 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39402:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39402 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39402:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39402 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39646:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39646 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39646:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39646 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39650:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39650 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39650:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39650 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39818 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39818 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39820:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39820 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39820 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39824:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39824 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39824 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39826:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39826 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39826:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39826 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39830:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39830 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39830:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39830 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39874:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39874 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39874:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39874 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40014:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40014 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40014:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40014 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40018:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40018:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40322:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40322 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40322:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40322 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40326:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40326 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40326:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40326 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40406:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40406 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40406:47: note: in expansion of macro ‘XSRETURN’
40406 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40462:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40462 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40462 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40466:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40466 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40466:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40466 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40482:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40482 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40482:47: note: in expansion of macro ‘XSRETURN’
40482 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40496:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40496 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40496:43: note: in expansion of macro ‘XSRETURN’
40496 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40508 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40508:47: note: in expansion of macro ‘XSRETURN’
40508 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40524:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40524 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40524:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40524 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40526:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40526 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40526:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40526 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40530:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40530 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40530:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40530 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40532:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40532 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40532:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40532 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40536:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40536 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40536:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40536 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40590:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40590 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40590:43: note: in expansion of macro ‘XSRETURN’
40590 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40594 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40594 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40596:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40596 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40596:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40596 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40600 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40600 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40606:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40606 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40606 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40608:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40608 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40608:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40608 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40612:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40612 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40612 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40614:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40614 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40614:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40614 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40665:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40665 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40665:43: note: in expansion of macro ‘XSRETURN’
40665 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40677:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40677 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40677:47: note: in expansion of macro ‘XSRETURN’
40677 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40706:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40706 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40706:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40706 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40710:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40710 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40710:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40710 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40712 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40712 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40716:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40716 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40716:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40716 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40722:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40722 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40722:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40722 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40724:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40724 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40724 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40728:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40728 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40728 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAngleIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40801:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40801 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40801:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40801 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolTorsionIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40877:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40877 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40877:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40877 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolPairIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40953:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40953 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40953:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40953 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolRingIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41075 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41075 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41079 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41079 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41197:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41197 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41197:47: note: in expansion of macro ‘XSRETURN’
41197 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41214:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41214 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41214:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41214 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41216:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41216 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41216:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41216 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41220:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41220 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41220:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41220 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_IsMember(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41269:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41269 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41269:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41269 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41271:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41271 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41271:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41271 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41275:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41275:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41277:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41277 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41277:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41277 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41463:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
41463 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Building CXX object scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_ruby_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -MF CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o.d -o CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2210:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2211:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2218:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2223:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2193:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_ConstIterator_next(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8694:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8694 | SWIGINTERN VALUE _wrap_ConstIterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_ConstIterator_previous(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8721:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8721 | SWIGINTERN VALUE _wrap_ConstIterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Iterator_next(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8859:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8859 | SWIGINTERN VALUE _wrap_Iterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Iterator_previous(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8883:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8883 | SWIGINTERN VALUE _wrap_Iterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9206:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9206 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9206:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9206 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9260 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9260:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9260 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9261:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 9261 | SWIGINTERN VALUE _wrap_VectorInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorInt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9401:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9401 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9401:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9401 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9678:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9678 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9678:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9678 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9733:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9733 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9733:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9733 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9734:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 9734 | SWIGINTERN VALUE _wrap_VectorUnsignedInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10176:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10176 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10176:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10176 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10238:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10238 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10238:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10238 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10239:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
10239 | SWIGINTERN VALUE _wrap_VectorVInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorVInt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10400:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10400 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10400:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10400 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10649:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10649 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10649:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10649 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10704:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10704 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10704:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10704 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10705:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
10705 | SWIGINTERN VALUE _wrap_VectorDouble___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorDouble(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10849:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10849 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10849:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10849 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___delete_2__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11018 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11018:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11018 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11129 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11129:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11129 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11187:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11187 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11187:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11187 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11188:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
11188 | SWIGINTERN VALUE _wrap_VectorString___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorString(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11339:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11339 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11339:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11339 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___delete__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11379:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11379 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11379:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11379 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11627:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11627 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11627:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11627 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11687:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11687 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11687:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11687 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11688:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
11688 | SWIGINTERN VALUE _wrap_VectorVector3___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorVector3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11843:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11843 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11843:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11843 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12101:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12101 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12101:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12101 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12161:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12161 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12161:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12161 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12162:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
12162 | SWIGINTERN VALUE _wrap_VectorOBMol___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBMol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12316:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12316 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12316:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12316 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12573:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12573 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12573:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12573 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12633:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12633 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12633:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12633 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12634:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
12634 | SWIGINTERN VALUE _wrap_VectorOBBond___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12789:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12789 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12789:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12789 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13046 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13046:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13046 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13106:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13106 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13106:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13106 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13107:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
13107 | SWIGINTERN VALUE _wrap_VectorOBResidue___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBResidue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13262 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13262:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13262 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13520:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13520 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13520:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13520 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13580:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13580 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13580:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13580 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13581:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
13581 | SWIGINTERN VALUE _wrap_VectorOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13736:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13736 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13736:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13736 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13992:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13992 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13992:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13992 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14051:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14051 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14051:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14051 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14052:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
14052 | SWIGINTERN VALUE _wrap_VectorpOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorpOBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14206:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14206 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14206:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14206 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14469:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14469 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14469:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14469 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14530 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14530:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14530 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14531:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
14531 | SWIGINTERN VALUE _wrap_VectorpOBGenericData___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_set_from_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15170:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15170 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15170:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15170 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_set_to_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15182:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15182 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15182:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15182 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_translate__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15197:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15197 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15197:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15197 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15198:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15198 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15198:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15198 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_translate__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15217:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15217 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15217:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15217 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_set_res_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15295:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15295 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15295:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15295 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15309:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15309 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15309:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15309 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15327:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15327 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15327:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15327 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15328 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15328:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15328 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15329:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15329 | SWIGINTERN VALUE _wrap_OBResidueData_lookup_bo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15357:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15357 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15357:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15357 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSqrtTbl(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15455:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15455 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15455:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15455 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15454:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15454 | SWIGINTERN VALUE _wrap_new_OBSqrtTbl(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Vector3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15576:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15576 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15576:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15576 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15581:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15581 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15581:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15581 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_begin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15646:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15646 | SWIGINTERN VALUE _wrap_Vector3_begin(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_end(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15670:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15670 | SWIGINTERN VALUE _wrap_Vector3_end(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15698:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15698 | SWIGINTERN VALUE _wrap_Vector3_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_add(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15806:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15806 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15806:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15806 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_x(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15886:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15886 | SWIGINTERN VALUE _wrap_Vector3_x(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_y(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15899:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15899 | SWIGINTERN VALUE _wrap_Vector3_y(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_z(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15912:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15912 | SWIGINTERN VALUE _wrap_Vector3_z(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Matrix3x3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16367:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16367 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16367:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16367 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Matrix3x3___call__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16416:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
16416 | SWIGINTERN VALUE _wrap_Matrix3x3___call__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___mul__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16654:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16654 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16654:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16654 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16662:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16662 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(nargs, args, self);}  check_2: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16662:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16662 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(nargs, args, self);}  check_2: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBBitVec(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16750:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16750 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16750:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16750 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBitVec_first_bit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16829:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
16829 | SWIGINTERN VALUE _wrap_OBBitVec_first_bit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBitVec_from_vec_int(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16921:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16921 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16921:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16921 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___sub__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17103:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17103 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17103:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17103 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17106:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17106 |      if (!_v) goto check_2; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17106:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17106 |      if (!_v) goto check_2; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17108:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17108 |      if (!_v) goto check_2; return _wrap___sub____SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17108:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17108 |      if (!_v) goto check_2; return _wrap___sub____SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBGenericData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17285:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17285 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17285:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17285 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17284:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17284 | SWIGINTERN VALUE _wrap_new_OBGenericData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGenericData_set_attribute(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17325:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17325 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17325:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17325 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17428:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17428 | SWIGINTERN VALUE _wrap_OBBase_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17456:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17456 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17456:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17456 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17468:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17468 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17468:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17468 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17535:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17535 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17535:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17535 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17540:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17540 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17540:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17540 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17545:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17545 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17545:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17545 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17593:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17593 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17593:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17593 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17605:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17605 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17605:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17605 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBCommentData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17715 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17715:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17715 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17714:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17714 | SWIGINTERN VALUE _wrap_new_OBCommentData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBCommentData_set_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17732:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17732 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17732:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17732 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBCommentData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17747:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17747 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17747:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17747 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBExternalBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17808:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17808 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17808:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17808 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17807:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17807 | SWIGINTERN VALUE _wrap_new_OBExternalBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPairData_set_value__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17967 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17967:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17967 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPairData_set_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17971:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17971 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17971:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17971 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSetData_get_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18032 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18032:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18032 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSetData_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18046:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18046 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18046:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18046 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBVirtualBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18145 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18145:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18145 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18144:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18144 | SWIGINTERN VALUE _wrap_new_OBVirtualBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRingData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18217:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18217 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18217:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18217 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18216:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18216 | SWIGINTERN VALUE _wrap_new_OBRingData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBUnitCell(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18338:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18338 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18338:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18338 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18337:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18337 | SWIGINTERN VALUE _wrap_new_OBUnitCell(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18406:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18406 | SWIGINTERN VALUE _wrap_OBUnitCell_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_set_space_group(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18461:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18461 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18461:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18461 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_a(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18503:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18503 | SWIGINTERN VALUE _wrap_OBUnitCell_get_a(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_b(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18524:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18524 | SWIGINTERN VALUE _wrap_OBUnitCell_get_b(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_c(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18545:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18545 | SWIGINTERN VALUE _wrap_OBUnitCell_get_c(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_alpha(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18567:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18567 | SWIGINTERN VALUE _wrap_OBUnitCell_get_alpha(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_beta(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18589:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18589 | SWIGINTERN VALUE _wrap_OBUnitCell_get_beta(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_gamma(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18612:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18612 | SWIGINTERN VALUE _wrap_OBUnitCell_get_gamma(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_offset(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18636:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18636 | SWIGINTERN VALUE _wrap_OBUnitCell_get_offset(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18661:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18661 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18685:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18685 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_name(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_lattice_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18731:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18731 | SWIGINTERN VALUE _wrap_OBUnitCell_get_lattice_type(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_vectors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18760:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18760 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_vectors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18785:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18785 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_ortho_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18809:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18809 | SWIGINTERN VALUE _wrap_OBUnitCell_get_ortho_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_orientation_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18835:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18835 | SWIGINTERN VALUE _wrap_OBUnitCell_get_orientation_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_fractional_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18861:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18861 | SWIGINTERN VALUE _wrap_OBUnitCell_get_fractional_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_fractional_to_cartesian(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18897:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18897 | SWIGINTERN VALUE _wrap_OBUnitCell_fractional_to_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_cartesian_to_fractional(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18933:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18933 | SWIGINTERN VALUE _wrap_OBUnitCell_cartesian_to_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18969:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18969 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19005:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19005 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19053:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19053 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_unwrap_fractional_near(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19102:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19102 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_fractional_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_minimum_image_cartesian(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19139:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19139 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_minimum_image_fractional(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19175:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19175 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group_number(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19220:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19220 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_number(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_volume(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19247:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19247 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_volume(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBConformerData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19281:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19281 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19281:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19281 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19280:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19280 | SWIGINTERN VALUE _wrap_new_OBConformerData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSymmetryData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19462:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19462 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19462:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19462 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19461:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19461 | SWIGINTERN VALUE _wrap_new_OBSymmetryData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSymmetryData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19494:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19494 | SWIGINTERN VALUE _wrap_OBSymmetryData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBTorsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19559:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19559 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19559:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19559 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19558:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19558 | SWIGINTERN VALUE _wrap_new_OBTorsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_add_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19621:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19621 | SWIGINTERN VALUE _wrap_OBTorsion_add_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_set_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19653:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19653 | SWIGINTERN VALUE _wrap_OBTorsion_set_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19697:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19697 | SWIGINTERN VALUE _wrap_OBTorsion_get_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAngle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19830:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19830 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19830:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19830 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19829:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19829 | SWIGINTERN VALUE _wrap_new_OBAngle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAngle_set_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19914:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19914 | SWIGINTERN VALUE _wrap_OBAngle_set_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAngleData_fill_angle_array(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19964:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19964 | SWIGINTERN VALUE _wrap_OBAngleData_fill_angle_array(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSerialNums(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20025:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20025 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20025:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20025 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20024:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20024 | SWIGINTERN VALUE _wrap_new_OBSerialNums(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20113:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20113 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20113:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20113 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20114 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20114:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20114 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20149:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20149 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20149:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20149 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20152:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20152 | SWIGINTERN VALUE _wrap_OBVibrationData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDOSData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20260 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20260:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20260 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOrbital_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20337:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20337 | SWIGINTERN VALUE _wrap_OBOrbital_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOrbitalData_set_homo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20464:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20464 | SWIGINTERN VALUE _wrap_OBOrbitalData_set_homo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20622:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20622 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20622:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20622 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20623:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20623 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20623:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20623 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_edipole(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20637:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20637 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20637:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20637 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_velocity(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20651:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20651 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20651:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20651 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20665:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20665 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20665:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20665 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVectorData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20833:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20833 | SWIGINTERN VALUE _wrap_OBVectorData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBFreeGridPoint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20926:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20926 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20926:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20926 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20925:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20925 | SWIGINTERN VALUE _wrap_new_OBFreeGridPoint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_axes(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21259:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21259 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21259:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21259 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_number_of_points(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21295:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21295 | SWIGINTERN VALUE _wrap_OBGridData_get_number_of_points(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21350:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21350 | SWIGINTERN VALUE _wrap_OBGridData_get_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_origin_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21403:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21403 | SWIGINTERN VALUE _wrap_OBGridData_get_origin_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_set_limits(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21506:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21506 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21506:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21506 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21508:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21508 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21508:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21508 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21510:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21510 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21510:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21510 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21512:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21512 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21512:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21512 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_set_values(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21548:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21548 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21548:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21548 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Dummy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21589:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21589 |   std::binary_function< char const *,char const *,bool > *result = 0 ; if ((argc < 0) || (argc > 0)) {
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21591:18: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21591 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21591:79: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21591 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                               ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘void free_std_binary_function_Sl_char_SS_const_Sm__Sc_char_SS_const_Sm__Sc_bool_Sg_(void*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21595:10: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21595 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *)self;
      |          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21595:74: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21595 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *)self;
      |                                                                          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_CharPtrLess___call__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21616:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21616 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21616:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21616 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21617:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21617 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21617:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21617 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21681 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21681:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21681 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21682 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21682:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21682 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21700 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21700:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21700 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21701:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21701 | SWIGINTERN VALUE _wrap_OBPlugin_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_make_instance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21722:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21722 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21722:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21722 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_get_plugin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21740:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21740 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21740:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21740 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21741 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21741:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21741 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21767:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21767 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21767:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21767 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21768:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21768 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21768:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21768 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21781:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21781 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21781:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21781 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21782:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21782 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21782:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21782 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21791:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21791 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21791:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21791 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21792:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21792 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21792:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21792 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21799 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21799:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21799 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21801 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21801:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21801 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21800:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21800 | SWIGINTERN VALUE _wrap_OBPlugin_list(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_string__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21818 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21818:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21818 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21819:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21819 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21819:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21819 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_string(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21828:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21828 | SWIGINTERN VALUE _wrap_OBPlugin_list_as_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_begin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21852:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21852 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21852:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21852 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_end(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21862:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21862 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21862:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21862 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21930:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21930 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21930:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21930 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21932:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21932 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21932:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21932 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21960:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21960 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21960:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21960 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21962:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21962 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21962:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21962 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21986:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21986 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21986:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21986 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21987:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21987 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21987:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21987 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21988:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21988 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21988:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21988 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22008:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22008 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22008:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22008 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22009:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22009 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22009:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22009 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_4(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22024:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22024 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22024:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22024 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_5(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22033:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22033 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22033:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22033 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22049:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22049 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22049:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22049 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22048:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22048 | SWIGINTERN VALUE _wrap_new_OBError(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___lshift__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22097 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22097:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22097 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22262 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22262:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22262 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22263:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22263 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22263:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22263 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22283:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22283 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22283:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22283 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22284:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22284 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22284:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22284 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_4(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22301:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22301 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22301:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22301 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22302:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22302 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22302:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22302 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22515:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22515 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22515:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22515 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22645:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22645 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22645:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22645 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22646:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22646 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22646:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22646 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22658:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22658 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22658:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22658 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22659:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22659 | SWIGINTERN VALUE _wrap_OBFormat_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22685:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22685 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22685:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22685 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22686:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22686 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22686:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22686 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22704:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22704 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22704:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22704 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22705:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22705 | SWIGINTERN VALUE _wrap_OBFormat_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_format_from_mime(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22719:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22719 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22719:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22719 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBConversion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22789:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22789 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22789:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22789 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22798 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22798:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22798 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22824:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22824 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22824:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22824 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22825:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22825 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22825:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22825 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22838 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22838:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22838 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22839:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22839 | SWIGINTERN VALUE _wrap_OBConversion_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_find_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22854:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22854 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22854:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22854 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_ext__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22880:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22880 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22880:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22880 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_ext__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22895:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22895 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22895:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22895 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_mime(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22940 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22940:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22940 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_stream(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22985:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22985 | SWIGINTERN VALUE _wrap_OBConversion_set_in_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_stream(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23014:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23014 | SWIGINTERN VALUE _wrap_OBConversion_set_out_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23039:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23039 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23039:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23039 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23040 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23040:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23040 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23057:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23057 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23057:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23057 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23058:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23058 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23058:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23058 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23073:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23073 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23073:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23073 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23074 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23074:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23074 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23132:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23132 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23132:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23132 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23135:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23135 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23135:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23135 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23140:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23140 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23140:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23140 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23164:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23164 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23164:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23164 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23176:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23176 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23176:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23176 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23208:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23208 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23208:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23208 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23228:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23228 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23228:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23228 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23240:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23240 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23240:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23240 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23272 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23272:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23272 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23395:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23395 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23395:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23395 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23407:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23407 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23407:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23407 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23408:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23408 | SWIGINTERN VALUE _wrap_OBConversion_is_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23446:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23446 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23446:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23446 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23447:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23447 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23447:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23447 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23461:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23461 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23461:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23461 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23473:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23473 | SWIGINTERN VALUE _wrap_OBConversion_add_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_remove_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23496:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23496 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23496:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23496 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_options(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23510:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23510 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23510:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23510 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_option_param(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23548:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23548 | SWIGINTERN VALUE _wrap_OBConversion_register_option_param(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_copy_options(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23592:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23592 | SWIGINTERN VALUE _wrap_OBConversion_copy_options(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_convert(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23640:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23640 | SWIGINTERN VALUE _wrap_OBConversion_convert(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_first_input(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23723:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23723 | SWIGINTERN VALUE _wrap_OBConversion_set_first_input(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_one_object_only(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23768:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23768 | SWIGINTERN VALUE _wrap_OBConversion_set_one_object_only(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_write(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23832:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23832 | SWIGINTERN VALUE _wrap_OBConversion_write(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_write_string(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23864:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23864 | SWIGINTERN VALUE _wrap_OBConversion_write_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_read(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23917:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23917 | SWIGINTERN VALUE _wrap_OBConversion_read(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_report_number_converted(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23990:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23990 | SWIGINTERN VALUE _wrap_OBConversion_report_number_converted(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24032 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24032:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24032 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24031:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24031 | SWIGINTERN VALUE _wrap_new_OBResidue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24084:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24084 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24084:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24084 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_num(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24107 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24107:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24107 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_atom_id(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24162 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24162:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24162 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_get_bonds(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24284:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24284 | SWIGINTERN VALUE _wrap_OBResidue_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBInternalCoord(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24658:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24658 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24658:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24658 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24657:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24657 | SWIGINTERN VALUE _wrap_new_OBInternalCoord(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_get_exact_mass(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24717:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24717 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24717:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24717 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24716:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24716 | SWIGINTERN VALUE _wrap_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25426:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25426 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25426:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25426 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25430:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25430 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25430:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25430 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25483:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25483 | SWIGINTERN VALUE _wrap_OBAtom_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25525:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25525 | SWIGINTERN VALUE _wrap_OBAtom_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25545:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25545 | SWIGINTERN VALUE _wrap_OBAtom_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25780:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25780 | SWIGINTERN VALUE _wrap_OBAtom_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25956:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25956 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25956:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25956 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25993 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25993:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25993 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26116:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26116 | SWIGINTERN VALUE _wrap_OBAtom_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26391:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26391 | SWIGINTERN VALUE _wrap_OBAtom_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26465:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26465 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26465:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26465 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26576:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26576 | SWIGINTERN VALUE _wrap_OBBond_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26617:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26617 | SWIGINTERN VALUE _wrap_OBBond_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26637:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26637 | SWIGINTERN VALUE _wrap_OBBond_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26656:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26656 | SWIGINTERN VALUE _wrap_OBBond_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26675:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26675 | SWIGINTERN VALUE _wrap_OBBond_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26695:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26695 | SWIGINTERN VALUE _wrap_OBBond_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26715:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26715 | SWIGINTERN VALUE _wrap_OBBond_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26788:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26788 | SWIGINTERN VALUE _wrap_OBBond_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26813:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26813 | SWIGINTERN VALUE _wrap_OBBond_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26906:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26906 | SWIGINTERN VALUE _wrap_OBBond_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27029 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27029:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27029 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27028:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27028 | SWIGINTERN VALUE _wrap_new_OBMol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27118:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27118 | SWIGINTERN VALUE _wrap_OBMol_add_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27200:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27200 | SWIGINTERN VALUE _wrap_OBMol_add_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_new_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27244:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27244 | SWIGINTERN VALUE _wrap_OBMol_new_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_new_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27270:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27270 | SWIGINTERN VALUE _wrap_OBMol_new_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27308:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27308 | SWIGINTERN VALUE _wrap_OBMol_delete_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27340:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27340 | SWIGINTERN VALUE _wrap_OBMol_delete_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_residue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27372:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27372 | SWIGINTERN VALUE _wrap_OBMol_delete_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_end_modify(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27399:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27399 | SWIGINTERN VALUE _wrap_OBMol_end_modify(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27447:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27447 | SWIGINTERN VALUE _wrap_OBMol_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_num_rotors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27497:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27497 | SWIGINTERN VALUE _wrap_OBMol_num_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27591:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27591 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27591:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27591 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27663:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27663 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27663:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27663 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27666:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27666 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27666:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27666 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_spaced_formula(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27757:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27757 | SWIGINTERN VALUE _wrap_OBMol_get_spaced_formula(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_mol_wt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27791:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27791 | SWIGINTERN VALUE _wrap_OBMol_get_mol_wt(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_exact_mass(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27813:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27813 | SWIGINTERN VALUE _wrap_OBMol_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_aromatic_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28001:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28001 | SWIGINTERN VALUE _wrap_OBMol_set_aromatic_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_sssrperceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28021:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28021 | SWIGINTERN VALUE _wrap_OBMol_set_sssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_lssrperceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28041:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28041 | SWIGINTERN VALUE _wrap_OBMol_set_lssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28062:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28062 | SWIGINTERN VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_atom_types_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28083:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28083 | SWIGINTERN VALUE _wrap_OBMol_set_atom_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_ring_types_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28103:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28103 | SWIGINTERN VALUE _wrap_OBMol_set_ring_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_chains_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28123:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28123 | SWIGINTERN VALUE _wrap_OBMol_set_chains_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_chirality_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28143:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28143 | SWIGINTERN VALUE _wrap_OBMol_set_chirality_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_partial_charges_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28163:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28163 | SWIGINTERN VALUE _wrap_OBMol_set_partial_charges_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_hybridization_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28184:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28184 | SWIGINTERN VALUE _wrap_OBMol_set_hybridization_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_closure_bonds_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28204:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28204 | SWIGINTERN VALUE _wrap_OBMol_set_closure_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_hydrogens_added(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28224:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28224 | SWIGINTERN VALUE _wrap_OBMol_set_hydrogens_added(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_corrected_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28244:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28244 | SWIGINTERN VALUE _wrap_OBMol_set_corrected_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28264:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28264 | SWIGINTERN VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_is_pattern_structure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28285:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28285 | SWIGINTERN VALUE _wrap_OBMol_set_is_pattern_structure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_is_reaction(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28305:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28305 | SWIGINTERN VALUE _wrap_OBMol_set_is_reaction(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_periodic_mol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28325:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28325 | SWIGINTERN VALUE _wrap_OBMol_set_periodic_mol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_to_inertial_frame(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28429:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28429 | SWIGINTERN VALUE _wrap_OBMol_to_inertial_frame(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_translate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28462:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28462 | SWIGINTERN VALUE _wrap_OBMol_translate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28532:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28532 | SWIGINTERN VALUE _wrap_OBMol_delete_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28621 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28621:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28621 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_new_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28680:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28680 | SWIGINTERN VALUE _wrap_OBMol_add_new_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_strip_salts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28707:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28707 | SWIGINTERN VALUE _wrap_OBMol_strip_salts(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_separate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28733:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28733 | SWIGINTERN VALUE _wrap_OBMol_separate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_copy_substructure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28885:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28885 | SWIGINTERN VALUE _wrap_OBMol_copy_substructure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_correct_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28936:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28936 | SWIGINTERN VALUE _wrap_OBMol_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_assign_spin_multiplicity(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28959:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28959 | SWIGINTERN VALUE _wrap_OBMol_assign_spin_multiplicity(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_center(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28986:91: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28986 | SWIGINTERN VALUE _wrap_OBMol_center(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_find_children(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29074:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29074 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_1;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29074:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29074 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_1;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_has_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29213:91: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
29213 | SWIGINTERN VALUE _wrap_OBMol_has_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_energy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29451:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
29451 | SWIGINTERN VALUE _wrap_OBMol_get_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_throw_error(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29701 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29701 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRing__path_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29839:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29839 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29839:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29839 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29922:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29922 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29922:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29922 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRing_set_type__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29963:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29963 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29963:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29963 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSmartsPattern(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30280:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30280 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30280:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30280 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30279:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30279 | SWIGINTERN VALUE _wrap_new_OBSmartsPattern(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30296:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30296 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30296:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30296 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30310:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30310 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30310:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30310 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30314:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30314 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30314:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30314 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsMatcher_match(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30761:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30761 | SWIGINTERN VALUE _wrap_OBSmartsMatcher_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSSMatch_match(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30834:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30834 | SWIGINTERN VALUE _wrap_OBSSMatch_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_set_alias__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30888 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30888:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30888 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_set_alias(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30903:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30903 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30903:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30903 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_get_alias(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30925:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30925 | SWIGINTERN VALUE _wrap_AliasData_get_alias(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31002:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31002 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31002:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31002 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_get_bit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31043:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31043 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31043:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31043 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_get_fingerprint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31099:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31099 | SWIGINTERN VALUE _wrap_OBFingerprint_get_fingerprint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31144:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31144 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31144:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31144 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31145 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31145:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31145 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31160 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31160:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31160 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31164:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31164 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31164:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31164 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_find_fingerprint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31183:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31183 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31183:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31183 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_FptIndexHeader_fpid_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31250:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
31250 |   else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31250:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
31250 |   else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_FptIndexHeader_datafilename_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31287:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
31287 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31287:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
31287 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_FastSearchIndexer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31626:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31626 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31626:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31626 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31677:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31677 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31677:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31677 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31696:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31696 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31696:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31696 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31698:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31698 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31698:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31698 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31697:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31697 | SWIGINTERN VALUE _wrap_new_OBDescriptor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31710 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31710:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31710 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_predict(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31737:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31737 | SWIGINTERN VALUE _wrap_OBDescriptor_predict(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_predict_and_save(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31770:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31770 | SWIGINTERN VALUE _wrap_OBDescriptor_predict_and_save(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_get_string_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31814:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31814 | SWIGINTERN VALUE _wrap_OBDescriptor_get_string_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_compare(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31863:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31863 | SWIGINTERN VALUE _wrap_OBDescriptor_compare(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31889:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31889 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31889:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31889 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31890:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31890 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31890:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31890 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31908:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31908 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31908:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31908 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31909:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31909 | SWIGINTERN VALUE _wrap_OBDescriptor_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_order(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31946:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31946 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31946:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31946 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31947:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31947 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31947:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31947 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_add_properties(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31978:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31978 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31978:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31978 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_delete_properties(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31991:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31991 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31991:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31991 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__a_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32127:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32127 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32127:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32127 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__b_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32148:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32148:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__c_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32169 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32169:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32169 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__d_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32190 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32190:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32190 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__ipar_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32212:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32212 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32212:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32212 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__dpar_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32235:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32235 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32235:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32235 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33363:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33363 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33363:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33363 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_force_field__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33388:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33388 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33388:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33388 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_force_field__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33397:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33397 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33397:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33397 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33467:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33467 | SWIGINTERN VALUE _wrap_OBForceField_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_get_grid(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33656 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33656:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33656 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_get_gradient(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33861:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33861 | SWIGINTERN VALUE _wrap_OBForceField_get_gradient(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_energy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33895:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33895 | SWIGINTERN VALUE _wrap_OBForceField_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33920:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33920 | SWIGINTERN VALUE _wrap_OBForceField_e_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33945:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33945 | SWIGINTERN VALUE _wrap_OBForceField_e_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_str_bnd(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33970:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33970 | SWIGINTERN VALUE _wrap_OBForceField_e_str_bnd(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33995:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33995 | SWIGINTERN VALUE _wrap_OBForceField_e_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_oop(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34020:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34020 | SWIGINTERN VALUE _wrap_OBForceField_e_oop(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_vdw(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34045:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34045 | SWIGINTERN VALUE _wrap_OBForceField_e_vdw(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_electrostatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34070:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34070 | SWIGINTERN VALUE _wrap_OBForceField_e_electrostatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_obfflog(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34153 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34153:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34153 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34192:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34192 | SWIGINTERN VALUE _wrap_OBForceField_systematic_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34234:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34234 |   VALUE argv[4]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 4) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search_next_conformer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34263:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34263 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34306:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34306 | SWIGINTERN VALUE _wrap_OBForceField_random_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34352:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34352 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search_next_conformer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34381:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34381 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_weighted_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34414:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34414 | SWIGINTERN VALUE _wrap_OBForceField_weighted_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_line_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34476:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34476 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34476:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34476 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_steepest_descent(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34542:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34542 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_steepest_descent_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34593:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34593 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent_initialize(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_conjugate_gradients(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34650:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34650 | SWIGINTERN VALUE _wrap_OBForceField_conjugate_gradients(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_conjugate_gradients_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34702:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34702 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_molecular_dynamics_take_nsteps(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34780:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34780 |   VALUE argv[6]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 6) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_ignore_calculation(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34877:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34877 | SWIGINTERN VALUE _wrap_OBForceField_ignore_calculation(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_angle_derivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35066:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35066 | SWIGINTERN VALUE _wrap_OBForceField_vector_angle_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_oopderivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35134:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35134 | SWIGINTERN VALUE _wrap_OBForceField_vector_oopderivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_torsion_derivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35202:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35202 | SWIGINTERN VALUE _wrap_OBForceField_vector_torsion_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_build(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35434:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35434 | SWIGINTERN VALUE _wrap_OBBuilder_build(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_add_ring_fragment(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35471:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35471 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35471:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35471 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_get_new_bond_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35510:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35510 | SWIGINTERN VALUE _wrap_OBBuilder_get_new_bond_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_connect(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35588:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35588 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35588:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35588 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35591:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35591 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35591:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35591 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_correct_stereo_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35646:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35646 | SWIGINTERN VALUE _wrap_OBBuilder_correct_stereo_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35707 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35707:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35707 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35731:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35731 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35731:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35731 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35752 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35752:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35752 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35767:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35767 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35767:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35767 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35779:86: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35779 | SWIGINTERN VALUE _wrap_OBOp_do(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs + 1;
      |                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRotorRule(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35877 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35877:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35877 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set_dihedral_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36092:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36092 |      if (!_v) goto check_1; return _wrap_OBRotor_set_dihedral_atoms__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36092:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36092 |      if (!_v) goto check_1; return _wrap_OBRotor_set_dihedral_atoms__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36173:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36173 | SWIGINTERN VALUE _wrap_OBRotor_set_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36246:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36246 | SWIGINTERN VALUE _wrap_OBRotor_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_get_dihedral_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36297:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36297 | SWIGINTERN VALUE _wrap_OBRotor_get_dihedral_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotorList_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36556:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36556 | SWIGINTERN VALUE _wrap_OBRotorList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotorList_find_rotors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36633:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36633 | SWIGINTERN VALUE _wrap_OBRotorList_find_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_RotorDigit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36791:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36791 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36791:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36791 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36790:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36790 | SWIGINTERN VALUE _wrap_new_RotorDigit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36970:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36970 | SWIGINTERN VALUE _wrap_OBRotamerList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_add_rotamer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37044 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37044:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37044 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37173:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37173 | SWIGINTERN VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37245:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37245 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37245:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37245 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37248 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37248:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37248 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37288:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37288 | SWIGINTERN VALUE _wrap_OBMolAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37458 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37458:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37458 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37462:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37462 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37462:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37462 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37508:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37508 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37561:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37561 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37582:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37582 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37820:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37820 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37999:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37999 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37999:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37999 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38037:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38037 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38037:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38037 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38161:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38161 | SWIGINTERN VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38459:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38459 | SWIGINTERN VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38538:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38538 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38538:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38538 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38594:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38594 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38624:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38624 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38624:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38624 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38636:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38636 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38636:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38636 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38651:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38651 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38651:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38651 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38653:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38653 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38653:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38653 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38704:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38704 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38704:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38704 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38709:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38709 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38709:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38709 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38714 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38714:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38714 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38763:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38763 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38763:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38763 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38775:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38775 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38775:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38775 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomDFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38894:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38894 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38894:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38894 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38897 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38897:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38897 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38940:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38940 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39113:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39113 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39113:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39113 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39117 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39117:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39117 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39164:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39164 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39218:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39218 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39240:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39240 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39478:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39478 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39657:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39657 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39657:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39657 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39695:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39695 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39695:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39695 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39819:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39819 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40117:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40117 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40196:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40196 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40196:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40196 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40252:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40252 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40282:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40282 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40282:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40282 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40294:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40294 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40294:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40294 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40309 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40309:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40309 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40311:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40311 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40311:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40311 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40362:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40362 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40362:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40362 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40367:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40367 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40367:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40367 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40372:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40372 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40372:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40372 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40421:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40421 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40421:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40421 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40433:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40433 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40433:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40433 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomBFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40552:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40552 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40552:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40552 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40555 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40555:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40555 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40598:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40598 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40771:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40771 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40771:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40771 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40775:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40775 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40775:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40775 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40822:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40822 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40876:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40876 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40898:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40898 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41136:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41136 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41315 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41315 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41353:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41353 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41353:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41353 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41477:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41477 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41775:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41775 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41854:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41854 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41854:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41854 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41910:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41910 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41940 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41940:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41940 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41952:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41952 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41952:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41952 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41967 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41967:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41967 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41969:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41969 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41969:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41969 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42020:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42020 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42020:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42020 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42025:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42025 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42025:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42025 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42030:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42030 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42030:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42030 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42079:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42079 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42079:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42079 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42091:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42091 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42091:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42091 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolBondBFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42210:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42210 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42210:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42210 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42213:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42213 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42213:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42213 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42256:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42256 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42389:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42389 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42433:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42433 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42455:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42455 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42477:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42477 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42499:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42499 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42521:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42521 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42543:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42543 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42615:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42615 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42639:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42639 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42737:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42737 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42902:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42902 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42932:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42932 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42932:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42932 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42944:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42944 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42944:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42944 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42959:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42959 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42959:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42959 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42961:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42961 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42961:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42961 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43012 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43012:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43012 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43017:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43017 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43017:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43017 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43022:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43022 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43022:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43022 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43071:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43071 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43071:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43071 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43083:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43083 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43083:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43083 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolBondIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43189:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43189 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43189:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43189 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43192:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43192 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43192:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43192 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43232:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43232 | SWIGINTERN VALUE _wrap_OBMolBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43354:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43354 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43397:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43397 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43418:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43418 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43439:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43439 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43460:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43460 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43481:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43481 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43502:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43502 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43574:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43574 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43598:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43598 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43696:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43696 | SWIGINTERN VALUE _wrap_OBMolBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43861:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43861 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43891 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43891:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43891 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43903:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43903 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43903:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43903 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43918:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43918 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43918:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43918 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43920:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43920 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43920:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43920 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43971:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43971 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43971:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43971 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43976 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43976:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43976 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43981:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43981 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43981:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43981 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44030:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44030 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44030:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44030 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44042:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44042 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44042:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44042 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAtomAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44150:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44150 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44150:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44150 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44153 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44153:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44153 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44194:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44194 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44356:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44356 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44356:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44356 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44360 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44360:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44360 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44407:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44407 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44460:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44460 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44481:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44481 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44719:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44719 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44898:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44898 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44898:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44898 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44936:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44936 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44936:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44936 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45060:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45060 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45358:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45358 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45437:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45437 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45437:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45437 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45493:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45493 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45523:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45523 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45523:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45523 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45535:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45535 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45535:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45535 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45550:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45550 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45550:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45550 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45552:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45552 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45552:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45552 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45603:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45603 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45603:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45603 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45608:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45608 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45608:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45608 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45613:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45613 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45613:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45613 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45662:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45662 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45662:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45662 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45674:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45674 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45674:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45674 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAtomBondIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45782:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45782 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45782:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45782 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45785:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45785 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45785:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45785 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45826:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45826 | SWIGINTERN VALUE _wrap_OBAtomBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45949:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45949 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45992:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45992 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46013:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46013 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46034:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46034 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46055:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46055 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46076:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46076 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46097:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46097 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46169:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46169 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46193:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46193 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46291:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46291 | SWIGINTERN VALUE _wrap_OBAtomBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46456:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46456 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46486:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46486 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46486:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46486 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46498:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46498 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46498:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46498 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46513:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46513 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46513:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46513 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46515:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46515 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46515:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46515 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46566:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46566 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46566:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46566 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46571:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46571 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46571:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46571 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46576:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46576 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46576:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46576 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46625:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46625 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46625:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46625 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46637:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46637 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46637:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46637 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidueIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46743:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46743 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46743:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46743 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46746:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46746 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46746:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46746 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46786:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46786 | SWIGINTERN VALUE _wrap_OBResidueIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_set_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46854:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46854 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46854:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46854 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_set_num(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46877:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46877 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46877:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46877 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_bonds(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47055:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47055 | SWIGINTERN VALUE _wrap_OBResidueIter_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47259:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47259 | SWIGINTERN VALUE _wrap_OBResidueIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47289:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47289 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47289:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47289 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47301:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47301 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47301:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47301 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47316:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47316 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47316:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47316 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47318:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47318 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47318:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47318 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47369:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47369 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47369:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47369 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47374:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47374 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47374:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47374 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47379:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47379 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47379:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47379 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47428:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47428 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47428:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47428 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47440:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47440 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47440:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47440 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidueAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47553 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47553:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47553 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47595:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47595 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47763:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47763 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47763:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47763 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47767 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47767:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47767 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47814:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47814 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47868:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47868 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47890:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47890 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48128:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48128 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48308:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48308 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48308:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48308 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48346:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48346 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48346:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48346 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48470:120: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48470 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48768:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48768 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48847 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48847:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48847 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48903:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48903 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48933:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48933 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48933:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48933 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48945:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48945 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48945:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48945 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48960:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48960 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48960:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48960 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48962:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48962 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48962:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48962 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49013:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49013 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49013:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49013 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49018:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49018 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49018:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49018 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49023:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49023 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49023:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49023 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49072:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49072 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49072:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49072 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49084:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49084 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49084:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49084 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAngleIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49192:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49192 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49192:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49192 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49195:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49195 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49195:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49195 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolTorsionIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49271:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49271 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49271:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49271 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49274:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49274 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49274:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49274 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolPairIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49348:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49348 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49348:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49348 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49351:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49351 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49351:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49351 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolRingIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49423:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49423 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49423:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49423 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49426 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49426:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49426 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49466:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49466 | SWIGINTERN VALUE _wrap_OBMolRingIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter__path_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49522:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49522 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49522:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49522 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_set_type__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49588:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49588 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49588:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49588 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49605:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49605 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49605:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49605 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49725:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49725 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49725:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49725 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49744:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49744 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49744:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49744 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49746:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49746 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49746:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49746 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49745:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49745 | SWIGINTERN VALUE _wrap_new_OBChargeModel(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49759 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49759:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49759 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_compute_charges__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49790:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49790 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49790:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49790 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_compute_charges(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49791:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49791 | SWIGINTERN VALUE _wrap_OBChargeModel_compute_charges(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPhModel_correct_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49966:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49966 | SWIGINTERN VALUE _wrap_OBPhModel_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBGraphSym(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50006:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50006 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50006:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50006 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50005:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50005 | SWIGINTERN VALUE _wrap_new_OBGraphSym(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_get_instance__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50062:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50062 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50062:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50062 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_get_instance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50073:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50073 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_get_instance(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_first(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50122:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50122 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_first(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_unique(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50172:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50172 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_unique(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_all(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50249:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50249 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_all(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_generic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50299:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50299 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_generic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50370:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50370 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50370:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50370 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/rmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
uby/openbabel-ruby.cpp:50401:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50401 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50401:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50401 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50427:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50427 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50427:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50427 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_6(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50518:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50518 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50518:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50518 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_7(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50539:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50539 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50539:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50539 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50541:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50541 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50541:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50541 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50544:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50544 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50544:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50544 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50555 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50555:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50555 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50565:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50565 |     if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);}  check_6: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50565:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50565 |     if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);}  check_6: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBQueryAtom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50622:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50622 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50622:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50622 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50621:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50621 | SWIGINTERN VALUE _wrap_new_OBQueryAtom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBQueryBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50734:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50734 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50734:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50734 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50733:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50733 | SWIGINTERN VALUE _wrap_new_OBQueryBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_molecule_query(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50907:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50907 | SWIGINTERN VALUE _wrap_compile_molecule_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50929:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50929 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50929:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50929 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50939:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50939 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50939:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50939 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50941:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50941 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50941:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50941 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50940:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50940 | SWIGINTERN VALUE _wrap_compile_smiles_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50977 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50977:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50977 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51006:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51006 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51006:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51006 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51032 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51032:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51032 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51053 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51053:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51053 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51055:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51055 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51055:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51055 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51054:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51054 | SWIGINTERN VALUE _wrap_canonical_labels(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBStereo_make_refs(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51104 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51104:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51104 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51103:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51103 | SWIGINTERN VALUE _wrap_OBStereo_make_refs(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBStereoUnit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51248:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51248 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51248:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51248 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51247:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51247 | SWIGINTERN VALUE _wrap_new_OBStereoUnit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBStereoFacade(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51389:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51389 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51389:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51389 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51388:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51388 | SWIGINTERN VALUE _wrap_new_OBStereoFacade(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_perceive_stereo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51538:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51538 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51538:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51538 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51537:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51537 | SWIGINTERN VALUE _wrap_perceive_stereo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_stereo_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51580:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51580 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51580:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51580 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51579:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51579 | SWIGINTERN VALUE _wrap_stereo_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_stereo_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51602 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51602:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51602 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51601:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51601 | SWIGINTERN VALUE _wrap_stereo_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51653:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51653 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51653:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51653 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51652:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51652 | SWIGINTERN VALUE _wrap_tetrahedral_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51700 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51700:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51700 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51699:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51699 | SWIGINTERN VALUE _wrap_tetrahedral_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_0d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51747:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51747 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51747:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51747 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51746:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51746 | SWIGINTERN VALUE _wrap_tetrahedral_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51794 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51794:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51794 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51793:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51793 | SWIGINTERN VALUE _wrap_cis_trans_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51872:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51872 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51872:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51872 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51871:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51871 | SWIGINTERN VALUE _wrap_cis_trans_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_0d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51986:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51986 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51986:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51986 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51985:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51985 | SWIGINTERN VALUE _wrap_cis_trans_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52010:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
52010 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52010:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
52010 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52034:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
52034 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52034:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
52034 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52035:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
52035 | SWIGINTERN VALUE _wrap_find_stereogenic_units(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:53291:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
53291 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Linking CXX shared module ../lib64/OpenBabel.so
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/OpenBabel.so "CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o"  -lperl ../lib64/libopenbabel.so.7.0.0 -lpthread -lresolv -ldl -lm -lcrypt -lutil -lc -lm -ldl -lz 
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[100%] Linking CXX shared module ../lib64/openbabel.so
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/openbabel.so "CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o"  -lruby ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz 
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make: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.9zVuHB
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ '[' /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT '!=' / ']'
+ rm -rf /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
++ dirname /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
+ mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build
+ mkdir /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ /usr/bin/make install DESTDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT 'INSTALL=/usr/bin/install -p' -C riscv64-redhat-linux-gnu
make: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/cmake -S/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 -B/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/CMakeFiles /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu//CMakeFiles/progress.marks
/usr/bin/make  -f CMakeFiles/Makefile2 all
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/CMakeFiles/openbabel.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/openbabel.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 14%] Built target openbabel
/usr/bin/make  -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_descriptors.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 15%] Built target plugin_descriptors
/usr/bin/make  -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_fingerprints.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 16%] Built target plugin_fingerprints
/usr/bin/make  -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_forcefields.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 17%] Built target plugin_forcefields
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_ops.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 23%] Built target plugin_ops
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_charges.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Built target plugin_charges
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/smilesformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Built target smilesformat
/usr/bin/make  -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mdlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Built target mdlformat
/usr/bin/make  -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 25%] Built target mol2format
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pdbformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 26%] Built target pdbformat
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 27%] Built target inchiformat
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/asciiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 28%] Built target asciiformat
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/copyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 29%] Built target copyformat
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MNAformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 29%] Built target MNAformat
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/molreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 29%] Built target molreport
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/nulformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 30%] Built target nulformat
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/painterformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 31%] Built target painterformat
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/povrayformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Built target povrayformat
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/reportformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Built target reportformat
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/svgformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 32%] Built target svgformat
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/textformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 33%] Built target textformat
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/titleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 34%] Built target titleformat
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/confabreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 34%] Built target confabreport
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pngformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Built target pngformat
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acesformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Built target acesformat
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/abinitformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Built target abinitformat
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/adfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Built target adfformat
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/aoforceformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 35%] Built target aoforceformat
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/castepformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 36%] Built target castepformat
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crystal09format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 37%] Built target crystal09format
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/daltonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 37%] Built target daltonformat
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 37%] Built target dmolformat
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fchkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Built target fchkformat
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhiaimsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 38%] Built target fhiaimsformat
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 39%] Built target gamessformat
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gaussformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Built target gaussformat
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausscubeformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Built target gausscubeformat
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausszmatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 40%] Built target gausszmatformat
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gulpformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 41%] Built target gulpformat
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/hinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 41%] Built target hinformat
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/jaguarformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 41%] Built target jaguarformat
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/molproformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 41%] Built target molproformat
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mopacformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Built target mopacformat
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/nwchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 42%] Built target nwchemformat
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pwscfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 43%] Built target pwscfformat
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/qchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 43%] Built target qchemformat
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/siestaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 44%] Built target siestaformat
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/turbomoleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 44%] Built target turbomoleformat
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/vaspformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 44%] Built target vaspformat
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xsfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 44%] Built target xsfformat
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/zindoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Built target zindoformat
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessukformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Built target gamessukformat
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/orcaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Built target orcaformat
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/APIInterface.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Built target APIInterface
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/CSRformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 45%] Built target CSRformat
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/PQSformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 46%] Built target PQSformat
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MCDLformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 47%] Built target MCDLformat
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/alchemyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 48%] Built target alchemyformat
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 49%] Built target acrformat
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/amberformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 49%] Built target amberformat
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/balstformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 49%] Built target balstformat
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/bgfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 50%] Built target bgfformat
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/boxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 50%] Built target boxformat
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cacaoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 50%] Built target cacaoformat
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cacheformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target cacheformat
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/carformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target carformat
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cccformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target cccformat
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chem3dformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target chem3dformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawct.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target chemdrawct
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemtoolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target chemtoolformat
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target cifformat
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cofformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target cofformat
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target crkformat
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cssrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 51%] Built target cssrformat
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dlpolyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 52%] Built target dlpolyformat
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/exyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Built target exyzformat
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastsearchformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Built target fastsearchformat
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Built target fastaformat
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/featformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 53%] Built target featformat
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Built target fhformat
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fingerprintformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 54%] Built target fingerprintformat
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fpsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 55%] Built target fpsformat
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/freefracformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 55%] Built target freefracformat
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/ghemicalformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 56%] Built target ghemicalformat
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gromos96format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 56%] Built target gromos96format
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/groformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 56%] Built target groformat
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lmpdatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 57%] Built target lmpdatformat
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lpmdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 57%] Built target lpmdformat
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mdffformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Built target mdffformat
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmcifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 58%] Built target mmcifformat
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmodformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 59%] Built target mmodformat
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/moldenformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 60%] Built target moldenformat
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 60%] Built target mpdformat
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpqcformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 61%] Built target mpqcformat
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 61%] Built target msiformat
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msmsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 61%] Built target msmsformat
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/opendxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target opendxformat
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/outformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target outformat
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pcmodelformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target pcmodelformat
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pdbqtformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target pdbqtformat
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pointcloudformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target pointcloudformat
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/posformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target posformat
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pqrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target pqrformat
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/shelxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 62%] Built target shelxformat
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/smileyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 63%] Built target smileyformat
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/stlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 63%] Built target stlformat
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/thermoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 63%] Built target thermoformat
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/tinkerformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 63%] Built target tinkerformat
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/unichemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 64%] Built target unichemformat
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/viewmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 64%] Built target viewmolformat
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/wlnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 65%] Built target wlnformat
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xedformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 65%] Built target xedformat
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Built target xyzformat
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/yasaraformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Built target yasaraformat
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rxnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 66%] Built target rxnformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawcdx.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 67%] Built target chemdrawcdx
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemkinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 68%] Built target chemkinformat
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rinchiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 69%] Built target rinchiformat
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rsmiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Built target rsmiformat
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/png2format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 70%] Built target png2format
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cdxmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 71%] Built target cdxmlformat
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 72%] Built target cmlformat
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchem.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 73%] Built target pubchem
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 74%] Built target xmlformat
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlreactformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 75%] Built target cmlreactformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdoodlejsonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 75%] Built target chemdoodlejsonformat
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchemjsonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 75%] Built target pubchemjsonformat
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obtautomer.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 82%] Built target obtautomer
/usr/bin/make  -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obthermo.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obthermo.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Built target obthermo
/usr/bin/make  -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obdistgen.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Built target obdistgen
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obgrep.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Built target obgrep
/usr/bin/make  -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obspectrophore.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Built target obspectrophore
/usr/bin/make  -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obrms.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 83%] Built target obrms
/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/GUI/CMakeFiles/obgui.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 84%] Built target obgui
/usr/bin/make  -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'test/CMakeFiles/test_runner.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 97%] Built target test_runner
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'test/CMakeFiles/test_inchiwrite.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 98%] Built target test_inchiwrite
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'test/CMakeFiles/roundtrip.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 98%] Built target roundtrip
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'scripts/CMakeFiles/bindings_python.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Built target bindings_python
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'scripts/CMakeFiles/bindings_perl.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[ 99%] Built target bindings_perl
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[2]: Nothing to be done for 'scripts/CMakeFiles/bindings_ruby.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
[100%] Built target bindings_ruby
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/CMakeFiles 0
/usr/bin/make  -f CMakeFiles/Makefile2 preinstall
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
make[1]: Nothing to be done for 'preinstall'.
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
Install the project...
/usr/bin/cmake -P cmake_install.cmake
-- Install configuration: "Release"
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-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/libopenbabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/plugin_descriptors.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/plugin_fingerprints.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/plugin_forcefields.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/plugin_ops.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/plugin_charges.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/smilesformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mdlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mol2format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pdbformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/inchiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/asciiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/copyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/MNAformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/molreport.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/nulformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/painterformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/povrayformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/reportformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/svgformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/textformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/titleformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/confabreport.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pngformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/acesformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/abinitformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/adfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/aoforceformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/castepformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/crystal09format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/daltonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/dmolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fchkformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fhiaimsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gamessformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gaussformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gausscubeformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gausszmatformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gulpformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/hinformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/jaguarformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/molproformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mopacformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/nwchemformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pwscfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/qchemformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/siestaformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/turbomoleformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/vaspformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xsfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/zindoformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gamessukformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/orcaformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/APIInterface.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/CSRformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/PQSformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/MCDLformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/alchemyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/acrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/amberformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/balstformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/bgfformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/boxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cacaoformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cacheformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/carformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cccformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chem3dformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdrawct.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemtoolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cifformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cofformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/crkformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cssrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/dlpolyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/exyzformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fastsearchformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fastaformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/featformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fhformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fingerprintformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fpsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/freefracformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/ghemicalformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gromos96format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/groformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/lmpdatformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/lpmdformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mdffformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mmcifformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mmodformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/moldenformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mpdformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mpqcformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/msiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/msmsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/opendxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/outformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pcmodelformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pdbqtformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pointcloudformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/posformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pqrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/shelxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/smileyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/stlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/thermoformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/tinkerformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/unichemformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/viewmolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/wlnformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xedformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xyzformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/yasaraformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rxnformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdrawcdx.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemkinformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rinchiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rsmiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/png2format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cdxmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pubchem.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cmlreactformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdoodlejsonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pubchemjsonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obabel
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obconformer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obenergy
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obfit
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obfitall
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgen
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obminimize
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obmm
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obprobe
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obprop
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrotamer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrotate
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obsym
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obtautomer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obthermo
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obdistgen
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgrep
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obspectrophore
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrms
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgui
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/roundtrip
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/_openbabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__init__.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/openbabel.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/pybel.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/perl5/vendor_perl/auto/Chemistry/OpenBabel/OpenBabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/perl5/vendor_perl/Chemistry/OpenBabel.pm
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/ruby/vendor_ruby/openbabel.so
make: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu'
+ rm -f '/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel2/*.cmake'
+ desktop-file-install --dir=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/applications /builddir/build/SOURCES/obgui.desktop
+ install -Dpm644 babel.png /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/pixmaps/babel.png
+ mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/etc/profile.d
+ cat
+ cat
+ /usr/bin/find-debuginfo -j32 --strict-build-id -m -i --build-id-seed 3.1.1-33.fc42 --unique-debug-suffix -3.1.1-33.fc42.riscv64 --unique-debug-src-base openbabel-3.1.1-33.fc42.riscv64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
find-debuginfo: starting
Extracting debug info from 151 files
DWARF-compressing 151 files
sepdebugcrcfix: Updated 151 CRC32s, 0 CRC32s did match.
Creating .debug symlinks for symlinks to ELF files
Copying sources found by 'debugedit -l' to /usr/src/debug/openbabel-3.1.1-33.fc42.riscv64
find-debuginfo: done
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/check-rpaths
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
+ /usr/lib/rpm/brp-remove-la-files
+ env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j32
Bytecompiling .py files below /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13 using python3.13
Bytecompiling .py files below /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib/debug/usr/lib64/python3.13 using python3.13
+ /usr/lib/rpm/redhat/brp-python-hardlink
+ /usr/bin/add-determinism --brp -j32 /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/__init__.cpython-313.opt-1.pyc: rewriting with normalized contents
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/pybel.cpython-313.pyc: rewriting with normalized contents
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/openbabel.cpython-313.pyc: rewriting with normalized contents
Scanned 92 directories and 890 files,
               processed 23 inodes,
               3 modified (0 replaced + 3 rewritten),
               0 unsupported format, 0 errors
Reading /builddir/build/BUILD/openbabel-3.1.1-build/SPECPARTS/rpm-debuginfo.specpart
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.iHnQc7
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed   -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ rm -f riscv64-redhat-linux-gnu/lib64/openbabel.so
+ export CTEST_OUTPUT_ON_FAILURE=1
+ CTEST_OUTPUT_ON_FAILURE=1
+ export PYTHONPATH=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages
+ PYTHONPATH=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages
+ /usr/bin/ctest --test-dir riscv64-redhat-linux-gnu --output-on-failure --force-new-ctest-process --timeout 6000 -j32 --test-dir riscv64-redhat-linux-gnu -VV -E 'pybindtest_bindings|pybindtest_obconv_writers|test_align_4|test_align_5'
Internal ctest changing into directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu
UpdateCTestConfiguration  from :/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/DartConfiguration.tcl
Parse Config file:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/DartConfiguration.tcl
UpdateCTestConfiguration  from :/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/DartConfiguration.tcl
Parse Config file:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/DartConfiguration.tcl
Test project /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu
Constructing a list of tests
Done constructing a list of tests
Updating test list for fixtures
Added 0 tests to meet fixture requirements
Checking test dependency graph...
Checking test dependency graph end
test 1
        Start   1: test_align_1
1: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "aligntest" "1"
1: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
1: Environment variables: 
1:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
1:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
1: Test timeout computed to be: 6000
test 2
        Start   2: test_align_2
2: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "aligntest" "2"
2: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
2: Environment variables: 
2:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
2:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
2: Test timeout computed to be: 6000
test 3
        Start   3: test_align_3
3: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "aligntest" "3"
3: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
3: Environment variables: 
3:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
3:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
3: Test timeout computed to be: 6000
test 4
        Start   4: test_alias_1
4: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "aliastest" "1"
4: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
4: Environment variables: 
4:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
4:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
4: Test timeout computed to be: 6000
test 5
        Start   5: test_automorphism_1
5: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "automorphismtest" "1"
5: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
5: Environment variables: 
5:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
5:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
5: Test timeout computed to be: 6000
test 6
        Start   6: test_automorphism_2
6: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "automorphismtest" "2"
6: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
6: Environment variables: 
6:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
6:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
6: Test timeout computed to be: 6000
test 7
        Start   7: test_automorphism_3
7: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "automorphismtest" "3"
7: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
7: Environment variables: 
7:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
7:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
7: Test timeout computed to be: 6000
test 8
        Start   8: test_automorphism_4
8: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "automorphismtest" "4"
8: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
8: Environment variables: 
8:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
8:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
8: Test timeout computed to be: 6000
test 9
        Start   9: test_automorphism_5
9: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "automorphismtest" "5"
9: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
9: Environment variables: 
9:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
9:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
9: Test timeout computed to be: 6000
test 10
        Start  10: test_automorphism_6
10: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "automorphismtest" "6"
10: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
10: Environment variables: 
10:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
10:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
10: Test timeout computed to be: 6000
test 11
        Start  11: test_automorphism_7
11: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "automorphismtest" "7"
11: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
11: Environment variables: 
11:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
11:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
11: Test timeout computed to be: 6000
test 12
        Start  12: test_automorphism_8
12: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "automorphismtest" "8"
12: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
12: Environment variables: 
12:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
12:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
12: Test timeout computed to be: 6000
test 13
        Start  13: test_automorphism_9
13: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "automorphismtest" "9"
13: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
13: Environment variables: 
13:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
13:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
13: Test timeout computed to be: 6000
test 14
        Start  14: test_automorphism_10
14: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "automorphismtest" "10"
14: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
14: Environment variables: 
14:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
14:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
14: Test timeout computed to be: 6000
test 15
        Start  15: test_builder_1
15: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "buildertest" "1"
15: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
15: Environment variables: 
15:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
15:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
15: Test timeout computed to be: 6000
test 16
        Start  16: test_builder_2
16: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "buildertest" "2"
16: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
16: Environment variables: 
16:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
16:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
16: Test timeout computed to be: 6000
test 17
        Start  17: test_builder_3
17: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "buildertest" "3"
17: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
17: Environment variables: 
17:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
17:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
17: Test timeout computed to be: 6000
test 18
        Start  18: test_builder_4
18: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "buildertest" "4"
18: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
18: Environment variables: 
18:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
18:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
18: Test timeout computed to be: 6000
test 19
        Start  19: test_builder_5
19: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "buildertest" "5"
19: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
19: Environment variables: 
19:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
19:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
19: Test timeout computed to be: 6000
test 20
        Start  20: test_builder_6
20: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "buildertest" "6"
20: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
20: Environment variables: 
20:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
20:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
20: Test timeout computed to be: 6000
test 21
        Start  21: test_canonconsistent_1
21: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "1"
21: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
21: Environment variables: 
21:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
21:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
21: Test timeout computed to be: 6000
test 22
        Start  22: test_canonconsistent_2
22: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "2"
22: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
22: Environment variables: 
22:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
22:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
22: Test timeout computed to be: 6000
test 23
        Start  23: test_canonconsistent_3
23: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "3"
23: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
23: Environment variables: 
23:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
23:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
23: Test timeout computed to be: 6000
test 24
        Start  24: test_canonfragment_1
24: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "canonfragmenttest" "1"
24: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
24: Environment variables: 
24:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
24:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
24: Test timeout computed to be: 6000
test 25
        Start  25: test_canonstable_1
25: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "canonstabletest" "1"
25: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
25: Environment variables: 
25:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
25:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
25: Test timeout computed to be: 6000
test 26
        Start  26: test_carspacegroup_1
26: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "1"
26: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
26: Environment variables: 
26:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
26:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
26: Test timeout computed to be: 6000
test 27
        Start  27: test_carspacegroup_2
27: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "2"
27: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
27: Environment variables: 
27:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
27:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
27: Test timeout computed to be: 6000
test 28
        Start  28: test_carspacegroup_3
28: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "3"
28: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
28: Environment variables: 
28:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
28:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
28: Test timeout computed to be: 6000
test 29
        Start  29: test_carspacegroup_4
29: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "4"
29: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
29: Environment variables: 
29:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
29:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
29: Test timeout computed to be: 6000
test 30
        Start  30: test_cifspacegroup_1
30: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "1"
30: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
30: Environment variables: 
30:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
30:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
30: Test timeout computed to be: 6000
test 31
        Start  31: test_cifspacegroup_2
31: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "2"
31: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
31: Environment variables: 
31:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
31:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
31: Test timeout computed to be: 6000
test 32
        Start  32: test_cifspacegroup_3
32: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "3"
32: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
32: Environment variables: 
32:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
32:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
32: Test timeout computed to be: 6000
4: 
5: testAutomorphisms
5: 8
6: Hao, Xu paper, fig. 2: structure 1
7: Hao, Xu paper, fig. 2: structure 2
9: Hao, Xu paper, fig. 2: structure 4
10: Hao, Xu paper, fig. 2: structure 5
11: Hao, Xu paper, fig. 2: structure 6
12: Hao, Xu paper, fig. 2: structure 7
13: Hao, Xu paper, fig. 2: structure 8
15:  Starting forcefield.sdf
16:  Starting filterset.sdf
17:  SMILES OC1=CC3=C([C@@]2([H])CC[C@@]4(C)[C@](CC[C@@H]4O)([H])[C@@]([H])2[C@H](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)C3)C=C1
18:  SMILES O1C[C@H]2O[C@H]2c2ccc(Oc3c(O)ccc(CCC1=O)c3)cc2
19:  SMILES N12[C@@H]([C@@H](NC([C@@H](c3ccsc3)C(=O)O)=O)C2=O)SC(C)(C)[C@@-]1C(=O)O
20:  SMILES OC1(C2=CN(CC3=CC=CC=C3F)N=N2)CCOC1
  1/219 Test   #1: test_align_1 .....................   Passed    3.11 sec
test 33
        Start  33: test_cifspacegroup_4
33: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "4"
33: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
33: Environment variables: 
33:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
33:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
33: Test timeout computed to be: 6000
  2/219 Test   #2: test_align_2 .....................   Passed    3.19 sec
test 34
        Start  34: test_cifspacegroup_5
34: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "5"
34: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
34: Environment variables: 
34:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
34:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
34: Test timeout computed to be: 6000
  3/219 Test   #3: test_align_3 .....................   Passed    3.34 sec
test 35
        Start  35: test_cifspacegroup_6
35: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "6"
35: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
35: Environment variables: 
35:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
35:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
35: Test timeout computed to be: 6000
  4/219 Test   #4: test_alias_1 .....................   Passed    3.38 sec
test 36
        Start  36: test_cifspacegroup_7
36: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "7"
36: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
36: Environment variables: 
36:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
36:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
36: Test timeout computed to be: 6000
  5/219 Test   #5: test_automorphism_1 ..............   Passed    3.55 sec
test 37
        Start  37: test_cifspacegroup_8
37: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "8"
37: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
37: Environment variables: 
37:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
37:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
37: Test timeout computed to be: 6000
  6/219 Test   #6: test_automorphism_2 ..............   Passed    3.68 sec
test 38
        Start  38: test_cifspacegroup_9
38: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "9"
38: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
38: Environment variables: 
38:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
38:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
38: Test timeout computed to be: 6000
  7/219 Test   #7: test_automorphism_3 ..............   Passed    3.84 sec
test 39
        Start  39: test_cifspacegroup_10
39: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "10"
39: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
39: Environment variables: 
39:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
39:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
39: Test timeout computed to be: 6000
  8/219 Test   #9: test_automorphism_5 ..............   Passed    3.83 sec
test 40
        Start  40: test_cifspacegroup_11
40: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "11"
40: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
40: Environment variables: 
40:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
40:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
40: Test timeout computed to be: 6000
  9/219 Test  #10: test_automorphism_6 ..............   Passed    3.89 sec
test 41
        Start  41: test_cifspacegroup_12
41: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "12"
41: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
41: Environment variables: 
41:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
41:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
41: Test timeout computed to be: 6000
 10/219 Test  #11: test_automorphism_7 ..............   Passed    4.04 sec
test 42
        Start  42: test_cifspacegroup_13
42: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "13"
42: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
42: Environment variables: 
42:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
42:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
42: Test timeout computed to be: 6000
 11/219 Test  #12: test_automorphism_8 ..............   Passed    4.12 sec
test 43
        Start  43: test_cistrans_1
43: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cistranstest" "1"
43: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
43: Environment variables: 
43:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
43:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
43: Test timeout computed to be: 6000
 12/219 Test  #13: test_automorphism_9 ..............   Passed    4.20 sec
test 44
        Start  44: test_cistrans_2
44: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cistranstest" "2"
44: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
44: Environment variables: 
44:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
44:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
44: Test timeout computed to be: 6000
19: ==============================
19: *** Open Babel Warning  in ParseSmiles
19:   Ignoring stereochemistry. Not enough connections to this atom. 
14: Hao, Xu paper, fig. 2: structure 9
 13/219 Test  #14: test_automorphism_10 .............   Passed    4.39 sec
test 45
        Start  45: test_cistrans_3
45: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cistranstest" "3"
45: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
45: Environment variables: 
45:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
45:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
45: Test timeout computed to be: 6000
 14/219 Test  #32: test_cifspacegroup_3 .............   Passed    2.35 sec
test 46
        Start  46: test_cistrans_4
46: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cistranstest" "4"
46: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
46: Environment variables: 
46:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
46:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
46: Test timeout computed to be: 6000
22: PASSED TESTS: 10/10
 15/219 Test  #22: test_canonconsistent_2 ...........   Passed    3.47 sec
test 47
        Start  47: test_cistrans_5
47: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cistranstest" "5"
47: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
47: Environment variables: 
47:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
47:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
47: Test timeout computed to be: 6000
 16/219 Test  #26: test_carspacegroup_1 .............   Passed    3.34 sec
test 48
        Start  48: test_cistrans_6
48: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cistranstest" "6"
48: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
48: Environment variables: 
48:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
48:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
48: Test timeout computed to be: 6000
8: Hao, Xu paper, fig. 2: structure 3
 17/219 Test   #8: test_automorphism_4 ..............   Passed    5.48 sec
test 49
        Start  49: test_cistrans_7
49: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cistranstest" "7"
49: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
49: Environment variables: 
49:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
49:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
49: Test timeout computed to be: 6000
 18/219 Test  #24: test_canonfragment_1 .............   Passed    3.96 sec
test 50
        Start  50: test_cistrans_8
50: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cistranstest" "8"
50: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
50: Environment variables: 
50:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
50:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
50: Test timeout computed to be: 6000
 19/219 Test  #43: test_cistrans_1 ..................   Passed    1.42 sec
test 51
        Start  51: test_cistrans_9
51: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cistranstest" "9"
51: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
51: Environment variables: 
51:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
51:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
51: Test timeout computed to be: 6000
 20/219 Test  #44: test_cistrans_2 ..................   Passed    1.43 sec
test 52
        Start  52: test_conversion_1
52: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "conversion" "1"
52: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
52: Environment variables: 
52:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
52:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
52: Test timeout computed to be: 6000
23: PASSED TESTS: 20/20
 21/219 Test  #23: test_canonconsistent_3 ...........   Passed    4.50 sec
test 53
        Start  53: test_graphsym_1
53: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "graphsymtest" "1"
53: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
53: Environment variables: 
53:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
53:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
53: Test timeout computed to be: 6000
 22/219 Test  #17: test_builder_3 ...................   Passed    5.88 sec
test 54
        Start  54: test_graphsym_2
54: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "graphsymtest" "2"
54: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
54: Environment variables: 
54:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
54:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
54: Test timeout computed to be: 6000
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : double bond begin id is invalid.
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : double bond end id is invalid.
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : found 0 reference ids, should be 4.
 23/219 Test  #45: test_cistrans_3 ..................   Passed    1.73 sec
test 55
        Start  55: test_graphsym_3
55: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "graphsymtest" "3"
55: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
55: Environment variables: 
55:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
55:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
55: Test timeout computed to be: 6000
 24/219 Test  #46: test_cistrans_4 ..................   Passed    1.74 sec
test 56
        Start  56: test_graphsym_4
56: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "graphsymtest" "4"
56: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
56: Environment variables: 
56:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
56:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
56: Test timeout computed to be: 6000
 25/219 Test  #47: test_cistrans_5 ..................   Passed    1.61 sec
test 57
        Start  57: test_graphsym_5
57: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "graphsymtest" "5"
57: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
57: Environment variables: 
57:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
57:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
57: Test timeout computed to be: 6000
16: 56
53: Testing generic smiles <-> canonical smiles
54: Testing generic smiles <-> canonical smiles
 26/219 Test  #42: test_cifspacegroup_13 ............   Passed    2.62 sec
test 58
        Start  58: test_gzip_1
58: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "gziptest" "1"
58: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
58: Environment variables: 
58:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
58:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
58: Test timeout computed to be: 6000
55: stereo/razinger_fig3.mol
56: stereo/razinger_fig7_20.mol
 27/219 Test  #18: test_builder_4 ...................   Passed    6.05 sec
test 59
        Start  59: test_addh_1
59: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "addhtest" "1"
59: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
59: Environment variables: 
59:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
59:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
59: Test timeout computed to be: 6000
57: stereo/razinger_fig7_48.mol
58: 
58: # Testing gzip handling...  
15: 
 28/219 Test  #20: test_builder_6 ...................   Passed    5.73 sec
test 60
        Start  60: test_implicitH_1
60: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "implicitHtest" "1"
60: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
60: Environment variables: 
60:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
60:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
60: Test timeout computed to be: 6000
 29/219 Test  #19: test_builder_5 ...................   Passed    6.05 sec
test 61
        Start  61: test_lssr_1
61: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "lssrtest" "1"
61: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
61: Environment variables: 
61:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
61:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
61: Test timeout computed to be: 6000
 30/219 Test  #48: test_cistrans_6 ..................   Passed    2.18 sec
test 62
        Start  62: test_lssr_2
62: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "lssrtest" "2"
62: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
62: Environment variables: 
62:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
62:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
62: Test timeout computed to be: 6000
59: 
59: # Testing addh handling...  
51: ==============================
51: *** Open Babel Information  in IsOnSameAtom
51:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
 31/219 Test  #51: test_cistrans_9 ..................   Passed    1.81 sec
test 63
        Start  63: test_lssr_3
63: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "lssrtest" "3"
63: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
63: Environment variables: 
63:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
63:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
63: Test timeout computed to be: 6000
16: 137
61: Shuffling: aromatics.smi
63: Shuffling: attype.00.smi
62: Shuffling: nci.smi
 32/219 Test  #49: test_cistrans_7 ..................   Passed    2.77 sec
test 64
        Start  64: test_lssr_4
64: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "lssrtest" "4"
64: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
64: Environment variables: 
64:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
64:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
64: Test timeout computed to be: 6000
52: ==============================
52: *** Open Babel Warning  in WriteMolecule
52:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
52: # Unit tests for OBConversion 
52: 1..9
52: ok 1
52: ok 2
52: ok 3
52: ok 4
52: ok 5
52: ok 6
52: ok 7
52: ok 8
16: 135
53: smiles: C[C@H](O)N
53: mol1.NumAtoms = 4
53: canSmiles: C[C@H](O)N	
53: mol2.NumAtoms = 4
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: Cl[C@@](CCl)(I)Br
53: mol1.NumAtoms = 6
53: canSmiles: ClC[C@](I)(Br)Cl	
53: mol2.NumAtoms = 6
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: Cl/C=C/F
53: mol1.NumAtoms = 4
53: canSmiles: F/C=C/Cl	
53: mol2.NumAtoms = 4
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
53: mol1.NumAtoms = 19
54: smiles: Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CNCc1ccccc1)O
 33/219 Test  #52: test_conversion_1 ................   Passed    2.70 sec
test 65
        Start  65: test_lssr_5
65: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "lssrtest" "5"
65: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
65: Environment variables: 
65:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
65:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
65: Test timeout computed to be: 6000
53: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
53: mol2.NumAtoms = 19
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: O1C=C[C@H]([C@H]1O2)c3c2cc(OC)c4c3OC(=O)C5=C4CCC(=O)5
53: mol1.NumAtoms = 23
53: canSmiles: COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3	
53: mol2.NumAtoms = 23
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
53: mol1.NumAtoms = 12
53: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
53: mol2.NumAtoms = 12
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
56: 1: 3
56: 2: 3
56: 3: 4
56: 4: 5
56: 5: 5
56: 6: 4
56: 7: 1
56: 8: 1
56: 9: 2
56: 10: 2
56: stereo/razinger_fig7_21.mol
56: 1: 4
56: 2: 6
56: 3: 5
56: 4: 7
56: 5: 5
56: 6: 6
56: 7: 2
56: 8: 3
56: 9: 3
56: 10: 1
56: 11: 1
56: stereo/razinger_fig7_22.mol
56: 1: 2
56: 2: 2
56: 3: 2
56: 4: 2
56: 5: 1
56: 6: 1
56: 7: 1
56: 8: 1
56: stereo/razinger_fig7_23.mol
56: 1: 4
56: 2: 3
56: 3: 4
56: 4: 3
56: 5: 1
56: 6: 2
56: 7: 1
56: 8: 2
56: stereo/razinger_fig7_24.mol
56: 1: 4
56: 2: 3
56: 3: 3
56: 4: 4
56: 5: 2
56: 6: 2
56: 7: 1
56: 8: 1
56: stereo/razinger_fig7_25.mol
56: 1: 2
56: 2: 3
56: 3: 4
56: 4: 2
56: 5: 3
56: 6: 3
56: 7: 4
56: 8: 4
56: 9: 1
56: 10: 4
56: 11: 1
56: 12: 1
56: 13: 2
56: 14: 3
56: 15: 2
56: 16: 1
56: stereo/razinger_fig7_26.mol
56: 1: 4
56: 2: 3
56: 3: 3
56: 4: 4
56: 5: 3
56: 6: 3
56: 7: 1
56: 8: 1
56: 9: 2
56: 10: 2
56: 11: 2
56: 12: 2
56: stereo/razinger_fig7_27.mol
56: 1: 6
56: 2: 4
56: 3: 5
56: 4: 8
56: 5: 5
56: 6: 4
56: 7: 7
56: 8: 2
56: 9: 3
56: 10: 1
56: stereo/razinger_fig7_28.mol
56: 1: 2
56: 2: 3
56: 3: 2
56: 4: 3
56: 5: 2
56: 6: 3
56: 7: 1
56: 8: 1
56: 9: 1
56: stereo/razinger_fig7_29.mol
56: 1: 3
56: 2: 5
56: 3: 4
56: 4: 6
56: 5: 4
56: 6: 5
56: 7: 1
56: 8: 1
56: 9: 2
50: ==============================
50: *** Open Babel Information  in IsOnSameAtom
50:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
 34/219 Test  #50: test_cistrans_8 ..................   Passed    3.50 sec
test 66
        Start  66: test_isomorphism_1
66: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "1"
66: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
66: Environment variables: 
66:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
66:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
66: Test timeout computed to be: 6000
65: Verify LSSR: rings/tetrahedron.mdl
53: mol1.NumAtoms = 23
64: Shuffling: rings/tetrahedron.mdl
 35/219 Test  #56: test_graphsym_4 ..................   Passed    2.90 sec
test 67
        Start  67: test_isomorphism_2
67: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "2"
67: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
67: Environment variables: 
67:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
67:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
67: Test timeout computed to be: 6000
53: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
53: mol2.NumAtoms = 23
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
53: mol1.NumAtoms = 18
53: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
53: mol2.NumAtoms = 18
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC[C@H](O1)CC[C@@]12CCCO2
53: mol1.NumAtoms = 11
53: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
53: mol2.NumAtoms = 11
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CN1CCC[C@H]1c2cccnc2
53: mol1.NumAtoms = 12
53: canSmiles: CN1CCC[C@H]1c1cccnc1	
53: mol2.NumAtoms = 12
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
53: mol1.NumAtoms = 17
53: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
53: mol2.NumAtoms = 17
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
53: mol1.NumAtoms = 31
53: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
53: mol2.NumAtoms = 31
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
53: mol1.NumAtoms = 21
53: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
53: mol2.NumAtoms = 21
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
53: mol1.NumAtoms = 11
53: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
53: mol2.NumAtoms = 11
53: .
53: 
54: mol1.NumAtoms = 24
54: canSmiles: O[C@H]1C[C@@H](O[C@@H]1CNCc1ccccc1)n1cc(C)c(=O)[nH]c1=O	
54: mol2.NumAtoms = 24
54: .
54: 
21: PASSED TESTS: 18/18
16: 134
55: 1: 1
55: 2: 1
55: 3: 1
55: 4: 1
55: 5: 2
55: 6: 2
55: 7: 2
55: 8: 2
55: 9: 3
55: 10: 3
55: 11: 3
55: 12: 3
55: 13: 4
55: 14: 4
55: stereo/razinger_fig7_1.mol
 36/219 Test  #21: test_canonconsistent_1 ...........   Passed    8.62 sec
test 68
        Start  68: test_isomorphism_3
68: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "3"
68: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
68: Environment variables: 
68:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
68:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
68: Test timeout computed to be: 6000
 37/219 Test  #53: test_graphsym_1 ..................   Passed    4.01 sec
test 69
        Start  69: test_isomorphism_4
69: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "4"
69: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
69: Environment variables: 
69:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
69:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
69: Test timeout computed to be: 6000
 38/219 Test  #54: test_graphsym_2 ..................   Passed    3.97 sec
test 70
        Start  70: test_isomorphism_5
70: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "5"
70: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
70: Environment variables: 
70:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
70:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
70: Test timeout computed to be: 6000
55: 1: 1
55: 2: 5
55: 3: 2
55: 4: 4
55: 5: 3
55: stereo/razinger_fig7_2.mol
55: 1: 4
55: 2: 5
55: 3: 7
55: 4: 6
55: 5: 6
55: 6: 7
55: 7: 5
55: 8: 4
55: 9: 3
55: 10: 3
55: 11: 2
55: 12: 2
55: 13: 1
55: 14: 1
55: stereo/razinger_fig7_3.mol
55: 1: 3
55: 2: 5
55: 3: 1
55: 4: 5
55: 5: 6
55: 6: 3
55: 7: 7
55: 8: 7
55: 9: 2
55: 10: 2
55: 11: 4
55: 12: 4
55: stereo/razinger_fig7_4.mol
55: 1: 7
55: 2: 5
55: 3: 6
55: 4: 6
55: 5: 3
55: 6: 4
55: 7: 1
55: 8: 2
55: 9: 4
55: 10: 3
55: stereo/razinger_fig7_5.mol
55: 1: 4
55: 2: 4
55: 3: 4
55: 4: 5
55: 5: 3
55: 6: 3
55: 7: 3
55: 8: 1
55: 9: 2
55: 10: 1
55: 11: 2
55: 12: 2
55: 13: 1
55: stereo/razinger_fig7_6.mol
55: 1: 3
55: 2: 4
55: 3: 3
55: 4: 3
55: 5: 3
55: 6: 1
55: 7: 2
55: 8: 1
55: 9: 2
55: 10: 1
55: 11: 2
55: 12: 1
55: 13: 2
55: stereo/razinger_fig7_7.mol
55: 1: 6
55: 2: 7
55: 3: 5
55: 4: 6
55: 5: 6
55: 6: 1
55: 7: 4
55: 8: 3
55: 9: 2
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_8.mol
55: 1: 6
55: 2: 7
55: 3: 5
55: 4: 6
55: 5: 5
55: 6: 1
55: 7: 2
55: 8: 1
55: 9: 2
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_9.mol
55: 1: 8
55: 2: 10
55: 3: 9
55: 4: 8
55: 5: 7
55: 6: 5
55: 7: 2
55: 8: 1
55: 9: 6
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_10.mol
55: 1: 10
55: 2: 13
55: 3: 11
55: 4: 12
55: 5: 9
55: 6: 5
55: 7: 2
55: 8: 1
55: 9: 6
55: 10: 7
55: 11: 8
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_11.mol
55: 1: 2
55: 2: 8
55: 3: 1
55: 4: 4
55: 5: 3
55: 6: 4
55: 7: 7
55: 8: 5
55: 9: 5
55: 10: 6
55: 11: 3
55: 12: 7
55: 13: 1
55: 14: 2
55: 15: 6
55: 16: 8
55: 17: 9
55: stereo/razinger_fig7_12.mol
55: 1: 6
55: 2: 16
55: 3: 5
55: 4: 4
55: 5: 7
55: 6: 8
55: 7: 13
55: 8: 11
55: 9: 9
55: 10: 12
55: 11: 3
55: 12: 15
55: 13: 1
55: 14: 2
55: 15: 10
55: 16: 14
55: 17: 17
55: stereo/razinger_fig7_13.mol
55: 1: 4
55: 2: 4
55: 3: 3
55: 4: 2
55: 5: 1
55: 6: 3
55: 7: 1
55: 8: 2
55: 9: 3
55: 10: 2
55: 11: 1
55: 12: 3
55: 13: 2
55: 14: 1
55: stereo/razinger_fig7_14.mol
55: 1: 2
55: 2: 3
55: 3: 4
55: 4: 4
55: 5: 3
55: 6: 1
55: 7: 1
55: stereo/razinger_fig7_15.mol
55: 1: 4
55: 2: 3
55: 3: 5
55: 4: 5
55: 5: 3
55: 6: 2
55: 7: 2
55: 8: 1
55: stereo/razinger_fig7_16.mol
55: 1: 2
55: 2: 3
55: 3: 4
55: 4: 4
55: 5: 3
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_17.mol
55: 1: 3
55: 2: 5
55: 3: 4
55: 4: 5
55: 5: 3
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_18.mol
55: 1: 3
55: 2: 2
55: 3: 2
55: 4: 3
55: 5: 2
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_19.mol
55: 1: 3
55: 2: 4
55: 3: 5
55: 4: 6
55: 5: 5
55: 6: 4
55: 7: 1
55: 8: 2
55: 9: 2
 39/219 Test  #55: test_graphsym_3 ..................   Passed    4.04 sec
test 71
        Start  71: test_isomorphism_6
71: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "6"
71: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
71: Environment variables: 
71:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
71:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
71: Test timeout computed to be: 6000
67: testIsomorphism2
 40/219 Test  #27: test_carspacegroup_2 .............   Passed    8.81 sec
test 72
        Start  72: test_isomorphism_7
72: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "7"
72: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
72: Environment variables: 
72:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
72:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
72: Test timeout computed to be: 6000
69: testIsomorphism4
57: 1: 2
57: 2: 3
57: 3: 3
57: 4: 2
57: 5: 1
57: 6: 1
57: 7: 2
57: 8: 1
57: 9: 1
57: 10: 2
57: stereo/razinger_fig7_49.mol
57: 1: 5
57: 2: 11
57: 3: 10
57: 4: 7
57: 5: 2
57: 6: 3
57: 7: 6
57: 8: 4
57: 9: 9
57: 10: 8
57: 11: 1
57: stereo/razinger_fig7_50.mol
57: 1: 3
57: 2: 5
57: 3: 5
57: 4: 3
57: 5: 1
57: 6: 1
57: 7: 4
57: 8: 2
57: 9: 4
57: stereo/razinger_fig7_51.mol
57: 1: 3
57: 2: 6
57: 3: 7
57: 4: 5
57: 5: 1
57: 6: 2
57: 7: 4
57: 8: 4
57: 9: 6
57: 10: 7
57: 11: 3
57: 12: 2
57: 13: 1
57: 14: 5
57: stereo/razinger_fig7_52.mol
57: 1: 2
57: 2: 4
57: 3: 4
71: testAutomorphismMask
57: 4: 2
57: 5: 1
57: 6: 1
57: 7: 3
57: 8: 4
57: 9: 4
57: 10: 3
57: 11: 2
57: 12: 1
57: 13: 1
57: 14: 2
57: stereo/razinger_fig7_58.mol
68: testIsomorphism3
57: 1: 3
57: 2: 2
57: 3: 4
57: 4: 4
57: 5: 5
57: 6: 2
57: 7: 3
57: 8: 3
57: 9: 3
57: 10: 1
57: 11: 1
57: stereo/razinger_fig7_59.mol
57: 1: 2
57: 2: 4
57: 3: 2
57: 4: 3
57: 5: 3
57: 6: 2
57: 7: 3
57: 8: 3
57: 9: 2
57: 10: 1
57: 11: 1
57: 12: 1
57: 13: 1
57: stereo/razinger_fig7_60.mol
15: /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
57: 1: 3
57: 2: 7
57: 3: 4
57: 4: 5
57: 5: 6
57: 6: 4
57: 7: 5
57: 8: 6
57: 9: 3
57: 10: 2
57: 11: 1
57: 12: 2
57: 13: 1
57: stereo/razinger_fig7_64.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/3o8g_uff.sdf
72: testAutomorphismMask2
60: Mol#0, Title 2707, Original atoms vs New atoms: 10 vs 10
60: 
60: Mol#1, Title 167, Original atoms vs New atoms: 16 vs 16
60: 
60: Mol#2, Title 281, Original atoms vs New atoms: 2 vs 2
60: 
60: Mol#3, Title 1419, Original atoms vs New atoms: 54 vs 54
60: 
60: Mol#4, Title 1600, Original atoms vs New atoms: 37 vs 37
60: 
60: Mol#5, Title 5081, Original atoms vs New atoms: 38 vs 38
60: 
60: Mol#6, Title 5726, Original atoms vs New atoms: 32 vs 32
60: 
60: Mol#7, Title 9107, Original atoms vs New atoms: 36 vs 36
60: 
60: Mol#8, Title 9550, Original atoms vs New atoms: 5 vs 5
60: 
60: Mol#9, Title 9863, Original atoms vs New atoms: 2 vs 2
60: 
60: Mol#10, Title 14768, Original atoms vs New atoms: 6 vs 6
60: 
60: Mol#11, Title 14857, Original atoms vs New atoms: 18 vs 18
60: 
60: Mol#12, Title 14858, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#13, Title 19914, Original atoms vs New atoms: 15 vs 15
60: 
60: Mol#14, Title 20438, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#15, Title 20939, Original atoms vs New atoms: 12 vs 12
60: 
60: Mol#16, Title 20940, Original atoms vs New atoms: 20 vs 20
60: 
60: Mol#17, Title 21316, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#18, Title 21317, Original atoms vs New atoms: 13 vs 13
60: 
60: Mol#19, Title 21318, Original atoms vs New atoms: 17 vs 17
60: 
60: Mol#20, Title 21857, Original atoms vs New atoms: 15 vs 15
60: 
60: Mol#21, Title 23356, Original atoms vs New atoms: 22 vs 22
60: 
60: Mol#22, Title 23699, Original atoms vs New atoms: 22 vs 22
60: 
60: Mol#23, Title 24261, Original atoms vs New atoms: 3 vs 3
60: 
60: Mol#24, Title 24530, Original atoms vs New atoms: 4 vs 4
60: 
60: Mol#25, Title 24771, Original atoms vs New atoms: 10 vs 10
60: 
 41/219 Test  #60: test_implicitH_1 .................   Passed    4.30 sec
test 73
        Start  73: test_isomorphism_8
73: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "8"
73: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
73: Environment variables: 
73:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
73:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
73: Test timeout computed to be: 6000
57: 1: 4
57: 2: 7
57: 3: 6
57: 4: 8
57: 5: 3
57: 6: 2
57: 7: 4
57: 8: 2
57: 9: 3
57: 10: 8
57: 11: 5
57: 12: 5
57: 13: 1
57: 14: 1
57: stereo/razinger_fig7_69.mol
57: 1: 2
57: 2: 2
57: 3: 2
57: 4: 2
57: 5: 2
57: 6: 2
57: 7: 1
57: 8: 1
57: 9: 1
57: 10: 1
57: 11: 1
57: 12: 1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/10gs_vww.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/12gs_0hh.sdf
15: /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
 42/219 Test  #57: test_graphsym_5 ..................   Passed    5.23 sec
test 74
        Start  74: test_isomorphism_9
74: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "9"
74: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
74: Environment variables: 
74:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
74:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
74: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/13gs_sas.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/19gs_bsp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a2n_tet.sdf
15: /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
33: ==============================
33: *** Open Babel Warning  in Find
33:   Unknown space group error, please file a bug report.
33: ==============================
33: *** Open Babel Warning  in Do
33:   Converting to P 1 cell using available symmetry transformations.
73: testAutomorphismPreMapping
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a42_bzu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4l_dcf.sdf
 43/219 Test  #28: test_carspacegroup_3 .............   Passed   10.33 sec
test 75
        Start  75: test_multicml_1
75: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "multicmltest" "1"
75: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
75: Environment variables: 
75:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
75:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
75: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4m_prh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4q_dpc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4r_gnh.sdf
70: 3
70: 1
70: 2
70: 1
15: /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
 44/219 Test  #33: test_cifspacegroup_4 .............   Passed    9.72 sec
test 76
        Start  76: test_periodic_1
76: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "periodictest" "1"
76: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
76: Environment variables: 
76:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
76:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
76: Test timeout computed to be: 6000
 45/219 Test  #36: test_cifspacegroup_7 .............   Passed    9.29 sec
test 77
        Start  77: test_periodic_2
77: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "periodictest" "2"
77: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
77: Environment variables: 
77:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
77:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
77: Test timeout computed to be: 6000
 46/219 Test  #70: test_isomorphism_5 ...............   Passed    2.34 sec
test 78
        Start  78: test_periodic_3
78: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "periodictest" "3"
78: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
78: Environment variables: 
78:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
78:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
78: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a5h_bba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a5v_y3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a6v_npc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a6w_nip.sdf
 47/219 Test  #40: test_cifspacegroup_11 ............   Passed    8.94 sec
test 79
        Start  79: test_periodic_4
79: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "periodictest" "4"
79: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
79: Environment variables: 
79:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
79:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
79: Test timeout computed to be: 6000
64: Shuffling: rings/cubane.mdl
64: Shuffling: rings/cubane2.mdl
64: Shuffling: rings/octahedron.mdl
74: testIsomorphism9
16: 133
75: 
75: # Testing handling of multi-molecule cml files...  
 48/219 Test  #76: test_periodic_1 ..................   Passed    0.55 sec
test 80
        Start  80: test_regressions_222
80: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "222"
80: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
80: Environment variables: 
80:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
80:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
80: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a72_pad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a7a_adc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a7x_fka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a82_dnn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a85_0dy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a86_0zb.sdf
 49/219 Test  #66: test_isomorphism_1 ...............   Passed    3.92 sec
test 81
        Start  81: test_regressions_223
81: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "223"
81: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
81: Environment variables: 
81:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
81:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
81: Test timeout computed to be: 6000
 50/219 Test  #77: test_periodic_2 ..................   Passed    0.84 sec
test 82
        Start  82: test_regressions_224
82: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "224"
82: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
82: Environment variables: 
82:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
82:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
82: Test timeout computed to be: 6000
 51/219 Test  #31: test_cifspacegroup_2 .............   Passed   11.36 sec
test 83
        Start  83: test_regressions_225
83: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "225"
83: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
83: Environment variables: 
83:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
83:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
83: Test timeout computed to be: 6000
65: Verify LSSR: rings/cubane.mdl
65: Verify LSSR: rings/cubane2.mdl
65: Verify LSSR: rings/octahedron.mdl
65: Verify LSSR: rings/bridged1.mdl
65: Verify LSSR: rings/fullerene20.mdl
65: Verify LSSR: rings/fullerene60.mdl
15: /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
 52/219 Test  #29: test_carspacegroup_4 .............   Passed   11.68 sec
test 84
        Start  84: test_regressions_226
84: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "226"
84: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
84: Environment variables: 
84:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
84:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
84: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a8t_061.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a96_xan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a97_5gp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aax_bpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ab8_fok.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ac4_tmt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ac8_tmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aco_tra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ad4_hh2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1adb_cnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1add_1da.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1adg_sad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ady_ham.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeb_3mt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aed_dti.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aef_3ap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeg_4ap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeh_24t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aej_nvi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aek_idm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aem_mpi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aen_25t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeo_2ap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeq_2ez.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aer_tia.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeu_2mz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aev_amt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1afc_scr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1afl_atr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1afq_0fg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1agw_su2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ah0_sbi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ai3_ndo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ai4_dhy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ai5_mnp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aj2_2ph.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ajn_aan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ajp_omd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ajq_spa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ajv_nmb.sdf
 53/219 Test  #65: test_lssr_5 ......................   Passed    5.28 sec
test 85
        Start  85: test_regressions_227
85: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "227"
85: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
85: Environment variables: 
85:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
85:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
85: Test timeout computed to be: 6000
69: 2
 54/219 Test  #69: test_isomorphism_4 ...............   Passed    3.81 sec
test 86
        Start  86: test_regressions_228
86: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "228"
86: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
86: Environment variables: 
86:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
86:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
86: Test timeout computed to be: 6000
64: Shuffling: rings/bridged1.mdl
64: Shuffling: rings/fullerene20.mdl
 55/219 Test  #37: test_cifspacegroup_8 .............   Passed   10.90 sec
test 87
        Start  87: test_regressions_240
87: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "240"
87: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
87: Environment variables: 
87:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
87:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
87: Test timeout computed to be: 6000
 56/219 Test  #79: test_periodic_4 ..................   Passed    1.73 sec
test 88
        Start  88: test_regressions_241
88: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "241"
88: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
88: Environment variables: 
88:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
88:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
88: Test timeout computed to be: 6000
67: 1
 57/219 Test  #67: test_isomorphism_2 ...............   Passed    5.01 sec
test 89
        Start  89: test_regressions_242
89: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "242"
89: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
89: Environment variables: 
89:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
89:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
89: Test timeout computed to be: 6000
16: 129
16: 126
 58/219 Test  #38: test_cifspacegroup_9 .............   Passed   11.51 sec
test 90
        Start  90: test_regressions_1794
90: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "1794"
90: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
90: Environment variables: 
90:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
90:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
90: Test timeout computed to be: 6000
 59/219 Test  #30: test_cifspacegroup_1 .............   Passed   13.07 sec
test 91
        Start  91: test_regressions_2111
91: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "regressionstest" "2111"
91: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
91: Environment variables: 
91:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
91:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
91: Test timeout computed to be: 6000
68: 2
 60/219 Test  #68: test_isomorphism_3 ...............   Passed    5.35 sec
test 92
        Start  92: test_rotor_1
92: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "rotortest" "1"
92: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
92: Environment variables: 
92:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
92:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
92: Test timeout computed to be: 6000
71: 4
71: 8
71: 0 1 2 3 4 5 9 8 7 10 11 12 13 
71: 0 1 2 3 4 5 9 8 13 12 11 10 7 
71: 4 3 2 1 0 5 9 8 7 10 11 12 13 
71: 4 3 2 1 0 5 9 8 13 12 11 10 7 
71: 10 7 8 13 12 11 9 2 1 0 5 4 3 
71: 10 7 8 13 12 11 9 2 3 4 5 0 1 
71: 12 13 8 7 10 11 9 2 1 0 5 4 3 
71: 12 13 8 7 10 11 9 2 3 4 5 0 1 
 61/219 Test  #71: test_isomorphism_6 ...............   Passed    5.01 sec
test 93
        Start  93: test_rotor_2
93: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "rotortest" "2"
93: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
93: Environment variables: 
93:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
93:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
93: Test timeout computed to be: 6000
73: 2
 62/219 Test  #72: test_isomorphism_7 ...............   Passed    4.89 sec
test 94
        Start  94: test_rotor_3
94: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "rotortest" "3"
94: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
94: Environment variables: 
94:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
94:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
94: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ajx_ah1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1akc_ppe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1al7_hst.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1al8_dhp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aln_ctd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1alw_isa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ami_mic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1amr_mae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1an9_be2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aob_ddu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aod_ins.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aoe_gw3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aqx_gtd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1arh_ppd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1asc_npl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1asl_pla.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1at1_pct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1atl_0qi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ax9_edr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ayp_inb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1az1_alr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1az8_in4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1azm_azm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b3d_s27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b42_m1a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b48_hag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b57_pgh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b5q_md2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b7y_fya.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b8n_img.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b8o_imh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b8y_in7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b99_fup.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b9i_pxg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b9s_fdi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b9t_rai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b9v_ra2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bb6_umg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bb7_gum.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bg9_af1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bgg_gco.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bil_0iu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bim_0qb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1biw_s80.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bju_gp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bjv_gp8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bk0_acv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bkc_inn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bke_b3i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bkm_1c5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bky_1mc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bl4_ap1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bma_0qh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bn3_al6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bnm_al8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bnn_al1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bnt_al2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1boz_prd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bq4_bhc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bqi_sba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bqm_hby.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bqo_n25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1br5_neo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1br6_pt1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bs1_daa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bs4_2pe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bsj_mln.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bso_brc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bug_urs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bv7_xv6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bvr_tht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bwf_atf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bx4_adn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bx6_ba1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bxm_erg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bxo_pp7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bxq_pp8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bye_ata.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzc_tpi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzj_pic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzl_gcg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzm_mzm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzs_bsi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzy_imu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c0t_bm1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c0u_bm5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c1b_gca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c1c_612.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c1h_mmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c1x_hfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c22_mf3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c23_mph.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c24_mpj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c29_he1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c2t_nhs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c3e_nhr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c3q_tze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c50_chi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c5y_esp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c5z_bam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c72_epy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c81_fdq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c83_oai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c84_761.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c85_oba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c86_opa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c88_ota.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c8l_bin.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c8t_tr1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c97_ict.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c9d_hf1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c9e_mp1.sdf
64: Shuffling: rings/fullerene60.mdl
16: 123
15: /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
 63/219 Test  #34: test_cifspacegroup_5 .............   Passed   12.90 sec
test 95
        Start  95: test_rotor_4
95: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "rotortest" "4"
95: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
95: Environment variables: 
95:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
95:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
95: Test timeout computed to be: 6000
 64/219 Test  #35: test_cifspacegroup_6 .............   Passed   12.88 sec
test 96
        Start  96: test_shuffle_1
96: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "shuffletest" "1"
96: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
96: Environment variables: 
96:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
96:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
96: Test timeout computed to be: 6000
 65/219 Test  #39: test_cifspacegroup_10 ............   Passed   12.23 sec
test 97
        Start  97: test_shuffle_2
97: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "shuffletest" "2"
97: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
97: Environment variables: 
97:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
97:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
97: Test timeout computed to be: 6000
 66/219 Test  #58: test_gzip_1 ......................   Passed    9.24 sec
test 98
        Start  98: test_shuffle_3
98: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "shuffletest" "3"
98: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
98: Environment variables: 
98:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
98:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
98: Test timeout computed to be: 6000
 67/219 Test  #73: test_isomorphism_8 ...............   Passed    4.42 sec
test 99
        Start  99: test_shuffle_4
99: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "shuffletest" "4"
99: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
99: Environment variables: 
99:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
99:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
99: Test timeout computed to be: 6000
 68/219 Test  #74: test_isomorphism_9 ...............   Passed    4.42 sec
test 100
        Start 100: test_shuffle_5
100: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "shuffletest" "5"
100: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
100: Environment variables: 
100:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
100:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
100: Test timeout computed to be: 6000
 69/219 Test  #78: test_periodic_3 ..................   Passed    3.96 sec
test 101
        Start 101: test_smiles_1
101: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "smilestest" "1"
101: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
101: Environment variables: 
101:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
101:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
101: Test timeout computed to be: 6000
 70/219 Test  #80: test_regressions_222 .............   Passed    3.93 sec
test 102
        Start 102: test_smiles_2
102: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "smilestest" "2"
102: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
102: Environment variables: 
102:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
102:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
102: Test timeout computed to be: 6000
 71/219 Test  #81: test_regressions_223 .............   Passed    4.48 sec
test 103
        Start 103: test_smiles_3
103: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "smilestest" "3"
103: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
103: Environment variables: 
103:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
103:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
103: Test timeout computed to be: 6000
 72/219 Test  #82: test_regressions_224 .............   Passed    4.42 sec
test 104
        Start 104: test_spectrophore_1
104: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "1"
104: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
104: Environment variables: 
104:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
104:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
104: Test timeout computed to be: 6000
 73/219 Test  #83: test_regressions_225 .............   Passed    4.44 sec
test 105
        Start 105: test_spectrophore_2
105: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "2"
105: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
105: Environment variables: 
105:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
105:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
105: Test timeout computed to be: 6000
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 2 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 11 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 32 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c9y_nva.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ca7_eno.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1caq_dps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cbq_re9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cci_dmi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ceb_amh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cel_ibz.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e8g_fcr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e8m_p0h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e8v_dan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e90_myc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e92_hbi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e98_atm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e9a_z5a.sdf
16: Ethanol
16: Dimethyl Ether
 74/219 Test  #16: test_builder_2 ...................   Passed   17.98 sec
test 106
        Start 106: test_spectrophore_3
106: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "3"
106: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
106: Environment variables: 
106:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
106:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
106: Test timeout computed to be: 6000
 75/219 Test  #92: test_rotor_1 .....................   Passed    3.02 sec
test 107
        Start 107: test_spectrophore_4
107: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "4"
107: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
107: Environment variables: 
107:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
107:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
107: Test timeout computed to be: 6000
 76/219 Test  #61: test_lssr_1 ......................   Passed   11.34 sec
test 108
        Start 108: test_spectrophore_5
108: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "5"
108: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
108: Environment variables: 
108:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
108:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
108: Test timeout computed to be: 6000
 77/219 Test  #75: test_multicml_1 ..................   Passed    6.42 sec
test 109
        Start 109: test_squareplanar_1
109: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "squareplanartest" "1"
109: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
109: Environment variables: 
109:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
109:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
109: Test timeout computed to be: 6000
 78/219 Test  #87: test_regressions_240 .............   Passed    4.56 sec
test 110
        Start 110: test_squareplanar_2
110: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "squareplanartest" "2"
110: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
110: Environment variables: 
110:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
110:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
110: Test timeout computed to be: 6000
 79/219 Test  #85: test_regressions_227 .............   Passed    5.11 sec
test 111
        Start 111: test_squareplanar_3
111: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "squareplanartest" "3"
111: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
111: Environment variables: 
111:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
111:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
111: Test timeout computed to be: 6000
89: ==============================
89: *** Open Babel Warning  in parseAtomRecord
89:   WARNING: Problems reading a PDBQT file
89:   Problems reading a HETATM or ATOM record.
89:   According to the PDBQT specification,
89:   columns 72-76 should contain charge of the atom
89:   but OpenBabel found '      ' (atom 1).
89: ==============================
89: *** Open Babel Warning  in parseAtomRecord
89:   WARNING: Problems reading a PDBQT file
89:   Problems reading a HETATM or ATOM record.
89:   According to the PDBQT specification,
89:   columns 72-76 should contain charge of the atom
89:   but OpenBabel found '      ' (atom 2).
89: ==============================
89: *** Open Babel Warning  in parseAtomRecord
89:   WARNING: Problems reading a PDBQT file
89:   Problems reading a HETATM or ATOM record.
89:   According to the PDBQT specification,
89:   columns 72-76 should contain charge of the atom
89:   but OpenBabel found '      ' (atom 3).
89: ==============================
89: *** Open Babel Warning  in parseAtomRecord
89:   WARNING: Problems reading a PDBQT file
89:   Problems reading a HETATM or ATOM record.
89:   According to the PDBQT specification,
89:   columns 72-76 should contain charge of the atom
89:   but OpenBabel found '      ' (atom 4).
89: ==============================
89: *** Open Babel Warning  in parseAtomRecord
89:   WARNING: Problems reading a PDBQT file
89:   Problems reading a HETATM or ATOM record.
89:   According to the PDBQT specification,
89:   columns 72-76 should contain charge of the atom
89:   but OpenBabel found '      ' (atom 5).
89: ==============================
89: *** Open Babel Warning  in parseAtomRecord
89:   WARNING: Problems reading a PDBQT file
89:   Problems reading a HETATM or ATOM record.
89:   According to the PDBQT specification,
89:   columns 72-76 should contain charge of the atom
89:   but OpenBabel found '      ' (atom 6).
89: ==============================
89: *** Open Babel Warning  in parseAtomRecord
89:   WARNING: Problems reading a PDBQT file
89:   Problems reading a HETATM or ATOM record.
89:   According to the PDBQT specification,
89:   columns 72-76 should contain charge of the atom
89:   but OpenBabel found '      ' (atom 7).
89: ==============================
89: *** Open Babel Warning  in parseAtomRecord
89:   WARNING: Problems reading a PDBQT file
89:   Problems reading a HETATM or ATOM record.
89:   According to the PDBQT specification,
89:   columns 72-76 should contain charge of the atom
89:   but OpenBabel found '      ' (atom 8).
89: ==============================
89: *** Open Babel Warning  in parseAtomRecord
89:   WARNING: Problems reading a PDBQT file
89:   Problems reading a HETATM or ATOM record.
89:   According to the PDBQT specification,
89:   columns 72-76 should contain charge of the atom
89:   but OpenBabel found '      ' (atom 9).
89: ==============================
89: *** Open Babel Warning  in parseAtomRecord
89:   WARNING: Problems reading a PDBQT file
89:   Problems reading a HETATM or ATOM record.
89:   According to the PDBQT specification,
89:   columns 72-76 should contain charge of the atom
89:   but OpenBabel found '      ' (atom 10).
 80/219 Test  #89: test_regressions_242 .............   Passed    4.28 sec
test 112
        Start 112: test_squareplanar_4
112: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "squareplanartest" "4"
112: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
112: Environment variables: 
112:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
112:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
112: Test timeout computed to be: 6000
 81/219 Test  #41: test_cifspacegroup_12 ............   Passed   15.49 sec
test 113
        Start 113: test_squareplanar_5
113: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "squareplanartest" "5"
113: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
113: Environment variables: 
113:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
113:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
113: Test timeout computed to be: 6000
 82/219 Test  #86: test_regressions_228 .............   Passed    5.43 sec
test 114
        Start 114: test_stereo_1
114: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "stereotest" "1"
114: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
114: Environment variables: 
114:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
114:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
114: Test timeout computed to be: 6000
 83/219 Test  #90: test_regressions_1794 ............   Passed    4.54 sec
test 115
        Start 115: test_stereo_2
115: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "stereotest" "2"
115: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
115: Environment variables: 
115:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
115:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
115: Test timeout computed to be: 6000
 84/219 Test  #93: test_rotor_2 .....................   Passed    4.27 sec
test 116
        Start 116: test_stereo_3
116: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "stereotest" "3"
116: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
116: Environment variables: 
116:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
116:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
116: Test timeout computed to be: 6000
91: ==============================
91: *** Open Babel Warning  in InChI code
91:   #1 :Omitted undefined stereo
96:  True Shuffling: COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O
96: ref = COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C/c1ccc(cc1)C#N)C(=O)N/N=C\c1ccc(cc1)C#N
96: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
97:  True Shuffling: Br.CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1SC(=O)CCCCn1ccccc1
97: ==============================
97: *** Open Babel Warning  in ParseSmiles
97:   Failed to kekulize aromatic SMILES
97: 
97: ref = O=C(Sc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C)CCCCN1[CH]C=CC=C1.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2SC(=O)CCCCn2ccccc2)c1
97: ==============================
97: *** Open Babel Warning  in ParseSmiles
97:   Failed to kekulize aromatic SMILES
97: 
97: ref = CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(c1)NC(=O)c1ccccc1SC(=O)CCCCN1[CH]C=CC=C1.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.COc1ccc(cc1)Cn1cccc(O)c1
97: ==============================
97: *** Open Babel Warning  in ParseSmiles
97:   Failed to kekulize aromatic SMILES
97: 
97: ref = COc1ccc(cc1)CN1[CH]C=CC(=C1)O.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@H](N(C)CC1)[C@@]12CC1
97: ref = COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@@H](C32CC3)N(CC1)C.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.NCCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
97: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.NCCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
97: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.NCCCNCCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
98:  True Shuffling: O[C@H]1CC[C@@H](O)CC1
98: ref = O[C@@H]1CC[C@@H](CC1)O
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: O[C@H]1C[C@@H](O)C[C@H](O)C1
98: ref = O[C@@H]1C[C@H](O)C[C@H](C1)O
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: O[C@H]1C[C@@H](O)C[C@@H](O)C1
98: ref = O[C@@H]1C[C@H](O)C[C@@H](C1)O
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C
98: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/cyclobutane_D1.smi
98: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/razinger_fig7_5_spec.mol
98: ref = O[C@H](CC(C[C@H](F)O)C[C@H](F)O)F
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/cyclohexanediol_D1.mol
98: ref = O[C@@H]1CC[C@@H](CC1)O
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/cyclohexanediol_D2.mol
98: ref = O[C@@H]1CC[C@H](CC1)O
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/cyclohexanetriol_D1.mol
98: ref = O[C@@H]1C[C@H](O)C[C@@H](C1)O
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/cyclohexanetriol_D2.mol
98: ref = O[C@@H]1C[C@H](O)C[C@H](C1)O
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/cyclobutane_D1.mol
98: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/cyclobutane_D2.mol
98: ref = C[C@@H]1[C@H](C)[C@H]([C@@H]1C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/cyclobutane_D3.mol
98: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/cyclobutane_D4.mol
98: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C
98: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: [C@@H]1([C@@H]([C@H]([C@H]1C)C)C)C
98: ref = C[C@@H]1[C@H](C)[C@H]([C@@H]1C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: [C@@H]1([C@@H]([C@H]([C@@H]1C)C)C)C
98: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: [C@@H]1([C@@H]([C@@H]([C@H]1C)C)C)C
98: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/inositol_cis.mol
98: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/inositol_epi.mol
98: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@H]1C)C)C
99:  True Shuffling: stereo/razinger_fig7_19_spec1.mol
99: ref = C[C@@H]1[C@@H](C)CCC[C@H]1C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_19_spec2.mol
99: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_19_spec3.mol
99: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_19_spec4.mol
99: ref = C[C@@H]1[C@H](C)CCC[C@H]1C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_19_spec5.mol
99: ref = C[C@@H]1[C@H](C)CCC[C@H]1C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_20_spec1.mol
99: ref = C[C@H]1[C@H](C)CC[C@@H]([C@@H]1C)C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_26_spec1.mol
99: ref = C[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)C
100:  True Shuffling: stereo/canon1.mol
101: testTetrahedralStereo1()
101: smiles: C[C@H](O)N
101: OBTetrahedralStereo(center = 1, viewFrom = 0, refs = H 3 2 , clockwise)
101: 
101: Testing generic smiles <-> canonical smiles
101: smiles: C[C@H](O)N
101: mol.NumAtoms = 4
101: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
101: canSmiles: C[C@H](O)N	
101: mol.NumAtoms = 4
101: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
101: .
101: 
101: Testing generic smiles <-> canonical smiles
101: smiles: Cl[C@@](CCl)(I)Br
101: mol.NumAtoms = 6
101: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 6, refs = 2 4 5 , clockwise)
101: canSmiles: ClC[C@](I)(Br)Cl	
101: mol.NumAtoms = 6
101: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 4 6 5 , clockwise)
101: .
101: 
101: Testing generic smiles <-> canonical smiles
101: smiles: Cl/C=C/F
101: mol.NumAtoms = 4
101: Config with symmetry ids: OBCisTransStereo::Config(begin = 3, end = 2, refs = 4 H 1 H , shape = U)
101: canSmiles: F/C=C/Cl	
101: mol.NumAtoms = 4
101: Config with symmetry ids: OBCisTransStereo::Config(begin = 2, end = 3, refs = 1 H 4 H , shape = U)
101: .
101: 
102: Testing generic smiles <-> canonical smiles
102: smiles: F[Po@SP1](Cl)(Br)I
102: mol.NumAtoms = 5
102: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
102: canSmiles: F[Po@SP1](I)(Br)Cl	
102: mol.NumAtoms = 5
102: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
102: .
102: 
102: Testing generic smiles <-> canonical smiles
102: smiles: F[Po@SP2](Br)(Cl)I
102: mol.NumAtoms = 5
102: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
102: canSmiles: F[Po@SP1](I)(Br)Cl	
102: mol.NumAtoms = 5
102: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
102: .
102: 
102: Testing generic smiles <-> canonical smiles
102: smiles: F[Po@SP3](Cl)(I)Br
102: mol.NumAtoms = 5
102: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
102: canSmiles: F[Po@SP1](I)(Br)Cl	
102: mol.NumAtoms = 5
102: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
102: .
102: 
103: Testing generic smiles <-> canonical smiles
103: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
103: mol.NumAtoms = 19
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
103: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
103: mol.NumAtoms = 19
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
103: mol.NumAtoms = 12
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
103: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
103: mol.NumAtoms = 12
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
103: mol.NumAtoms = 23
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
103: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
103: mol.NumAtoms = 23
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
103: mol.NumAtoms = 18
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 7, refs = H 4 6 , clockwise)
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 11, end = 10, refs = 13 12 7 H , shape = U)
103: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
103: mol.NumAtoms = 18
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 4, refs = H 6 7 , clockwise)
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 7 H 13 12 , shape = U)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: CC[C@H](O1)CC[C@@]12CCCO2
103: mol.NumAtoms = 11
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
103: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
103: mol.NumAtoms = 11
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: CN1CCC[C@H]1c2cccnc2
103: mol.NumAtoms = 12
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
103: canSmiles: CN1CCC[C@H]1c1cccnc1	
103: mol.NumAtoms = 12
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
103: mol.NumAtoms = 11
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
103: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
103: mol.NumAtoms = 11
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
103: mol.NumAtoms = 21
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
103: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
103: mol.NumAtoms = 21
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
103: mol.NumAtoms = 17
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
103: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
103: mol.NumAtoms = 17
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
103: mol.NumAtoms = 31
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
103: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
103: mol.NumAtoms = 31
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
103: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
103: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
103: .
103: 
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gfy_col.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gg5_e09.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ggd_faf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gi5_123.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gi6_124.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gi7_120.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gi8_bmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gij_2pu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gil_gsp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1giu_ade.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gj9_134.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gjc_130.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gka_axt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gkl_fer.sdf
 85/219 Test  #91: test_regressions_2111 ............   Passed    4.81 sec
test 117
        Start 117: test_stereo_4
117: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "stereotest" "4"
117: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
117: Environment variables: 
117:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
117:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
117: Test timeout computed to be: 6000
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
97: ref = NCCCNCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/inositol_allo.mol
98: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@H]([C@H]1C)C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/inositol_myo.mol
98: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/inositol_muco.mol
98: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@@H]([C@H]1C)C)C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_59_spec1.mol
99: ref = C[C@@H]1C[C@]2(C[C@H]1C)C[C@H]([C@H](C2)C)C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_30.mol
 86/219 Test #101: test_smiles_1 ....................   Passed    3.27 sec
test 118
        Start 118: test_stereo_5
118: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "stereotest" "5"
118: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
118: Environment variables: 
118:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
118:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
118: Test timeout computed to be: 6000
 87/219 Test #102: test_smiles_2 ....................   Passed    2.72 sec
test 119
        Start 119: test_stereo_6
119: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "stereotest" "6"
119: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
119: Environment variables: 
119:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
119:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
119: Test timeout computed to be: 6000
 88/219 Test #103: test_smiles_3 ....................   Passed    2.59 sec
test 120
        Start 120: test_stereoperception_1
120: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "1"
120: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
120: Environment variables: 
120:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
120:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
120: Test timeout computed to be: 6000
84: Rep: 0
84:   0 [H] --> [H] ([H])
84:   1 [H][H] --> [H][H] ([H][H])
84:   2 [HH] --> [HH] ([HH])
84:   3 C --> C (C)
84:   4 [C] --> [C] ([C])
84:   5 [CH] --> [CH] ([CH])
84:   6 [CH3] --> [CH3] ([CH3])
84:   7 [CH4] --> C (C)
84:   8 [CH5] --> [CH5] ([CH5])
84:   9 C[H] --> C (C)
84:   10 [C][H] --> [CH] ([CH])
84:   11 [CH3][H] --> C (C)
84:   12 [CH2]([H])[H] --> C (C)
84:   13 [U][H] --> [UH] ([UH])
84:   14 [UH2] --> [UH2] ([UH2])
84:   15 [C@@H](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
84:   16 Br[C@@H](Cl)I --> Br[C@@H](Cl)I (Br[C@@H](Cl)I)
84:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
84:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
84:   19 [H][C@@](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
84:   20 C[H:1] --> C (C)
84:   21 C[2H] --> C[2H] (C[2H])
84:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
84:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
84:   24 c1c[nH]cc1 --> c1c[nH]cc1 (c1c[nH]cc1)
84:   25 F[I]F --> F[I]F (F[I]F)
84: Rep: 1
84:   0 [H] --> [H] ([H])
84:   1 [H][H] --> [H][H] ([H][H])
84:   2 [HH] --> [HH] ([HH])
84:   3 C --> C (C)
84:   4 [C] --> [C] ([C])
84:   5 [CH] --> [CH] ([CH])
84:   6 [CH3] --> [CH3] ([CH3])
84:   7 [CH4] --> C (C)
84:   8 [CH5] --> [CH5] ([CH5])
84:   9 C[H] --> C[H] (C[H])
84:   10 [C][H] --> [C][H] ([C][H])
84:   11 [CH3][H] --> C[H] (C[H])
84:   12 [CH2]([H])[H] --> C([H])[H] (C([H])[H])
84:   13 [U][H] --> [U][H] ([U][H])
84:   14 [UH2] --> [UH2] ([UH2])
84:   15 [C@@H](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
84:   16 Br[C@@H](Cl)I --> Br[C@@H](Cl)I (Br[C@@H](Cl)I)
84:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
84:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
84:   19 [H][C@@](Br)(Cl)I --> [H][C@@](Br)(Cl)I ([H][C@@](Br)(Cl)I)
84:   20 C[H:1] --> C[H] (C[H])
84:   21 C[2H] --> C[2H] (C[2H])
84:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
84:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
84:   24 c1c[nH]cc1 --> c1c[nH]cc1 (c1c[nH]cc1)
84:   25 F[I]F --> F[I]F (F[I]F)
84: Rep: 2
84:   0 [H] --> [H] ([H])
84:   1 [H][H] --> [H][H] ([H][H])
84:   2 [HH] --> [H][H] ([H][H])
84:   3 C --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
84:   4 [C] --> [C] ([C])
84:   5 [CH] --> [C][H] ([C][H])
84:   6 [CH3] --> [C]([H])([H])[H] ([C]([H])([H])[H])
84:   7 [CH4] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
84:   8 [CH5] --> [C]([H])([H])([H])([H])[H] ([C]([H])([H])([H])([H])[H])
84:   9 C[H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
84:   10 [C][H] --> [C][H] ([C][H])
84:   11 [CH3][H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
84:   12 [CH2]([H])[H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
84:   13 [U][H] --> [U][H] ([U][H])
84:   14 [UH2] --> [U]([H])[H] ([U]([H])[H])
84:   15 [C@@H](Br)(Cl)I --> [C@](Br)(Cl)(I)[H] ([C@](Br)(Cl)(I)[H])
84:   16 Br[C@@H](Cl)I --> Br[C@@](Cl)(I)[H] (Br[C@@](Cl)(I)[H])
84:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
84:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
84:   19 [H][C@@](Br)(Cl)I --> [H][C@@](Br)(Cl)I ([H][C@@](Br)(Cl)I)
84:   20 C[H:1] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
84:   21 C[2H] --> C([2H])([H])([H])[H] (C([2H])([H])([H])[H])
84:   22 c1ccccc1 --> c1(c(c(c(c(c1[H])[H])[H])[H])[H])[H] (c1(c(c(c(c(c1[H])[H])[H])[H])[H])[H])
84:   23 c1cnccc1 --> c1(c(nc(c(c1[H])[H])[H])[H])[H] (c1(c(nc(c(c1[H])[H])[H])[H])[H])
84:   24 c1c[nH]cc1 --> c1(c(n(c(c1[H])[H])[H])[H])[H] (c1(c(n(c(c1[H])[H])[H])[H])[H])
84:   25 F[I]F --> F[I]F (F[I]F)
84: Rep: 3
84:   0 [H] --> [#1] ([#1])
84:   1 [H][H] --> [#1][#1] ([#1][#1])
84:   2 [HH] --> [#1] ([#1])
84:   3 C --> C (C)
84:   4 [C] --> C (C)
84:   5 [CH] --> C (C)
84:   6 [CH3] --> C (C)
84:   7 [CH4] --> C (C)
84:   8 [CH5] --> C (C)
84:   9 C[H] --> [C!H0] ([C!H0])
84:   10 [C][H] --> [C!H0] ([C!H0])
84:   11 [CH3][H] --> [C!H0] ([C!H0])
84:   12 [CH2]([H])[H] --> [C!H0!H1] ([C!H0!H1])
84:   13 [U][H] --> [U!H0] ([U!H0])
84:   14 [UH2] --> [U] ([U])
84:   15 [C@@H](Br)(Cl)I --> [C](Br)(Cl)I ([C](Br)(Cl)I)
84:   16 Br[C@@H](Cl)I --> Br[C](Cl)I (Br[C](Cl)I)
84:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
84:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
84:   19 [H][C@@](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
84:   20 C[H:1] --> [C!H0] ([C!H0])
84:   21 C[2H] --> C[2#1] (C[2#1])
84:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
84:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
84:   24 c1c[nH]cc1 --> c1cncc1 (c1cncc1)
84:   25 F[I]F --> FIF (FIF)
 89/219 Test  #84: test_regressions_226 .............   Passed    6.79 sec
test 121
        Start 121: test_stereoperception_2
121: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "2"
121: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
121: Environment variables: 
121:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
121:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
121: Test timeout computed to be: 6000
 90/219 Test  #88: test_regressions_241 .............   Passed    6.13 sec
test 122
        Start 122: test_stereoperception_3
122: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "3"
122: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
122: Environment variables: 
122:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
122:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
122: Test timeout computed to be: 6000
 91/219 Test  #94: test_rotor_3 .....................   Passed    5.23 sec
test 123
        Start 123: test_stereoperception_4
123: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "4"
123: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
123: Environment variables: 
123:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
123:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
123: Test timeout computed to be: 6000
 92/219 Test  #95: test_rotor_4 .....................   Passed    5.13 sec
test 124
        Start 124: test_tautomer_1
124: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "1"
124: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
124: Environment variables: 
124:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
124:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
124: Test timeout computed to be: 6000
15: /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
 93/219 Test #106: test_spectrophore_3 ..............   Passed    2.71 sec
test 125
        Start 125: test_tautomer_2
125: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "2"
125: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
125: Environment variables: 
125:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
125:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
125: Test timeout computed to be: 6000
 94/219 Test #108: test_spectrophore_5 ..............   Passed    2.50 sec
test 126
        Start 126: test_tautomer_3
126: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "3"
126: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
126: Environment variables: 
126:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
126:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
126: Test timeout computed to be: 6000
109: end
 95/219 Test #109: test_squareplanar_1 ..............   Passed    2.38 sec
test 127
        Start 127: test_tautomer_4
127: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "4"
127: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
127: Environment variables: 
127:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
127:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
127: Test timeout computed to be: 6000
110: end
 96/219 Test #110: test_squareplanar_2 ..............   Passed    2.31 sec
test 128
        Start 128: test_tautomer_5
128: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "5"
128: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
128: Environment variables: 
128:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
128:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
128: Test timeout computed to be: 6000
111: This error can be ignored
111: ==============================
111: *** Open Babel Error  in SetConfig
111:   OBSquarePlanarStereo::SetConfig : found 0 reference ids, should be 4.
111: end
 97/219 Test #111: test_squareplanar_3 ..............   Passed    2.24 sec
test 129
        Start 129: test_tautomer_6
129: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "6"
129: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
129: Environment variables: 
129:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
129:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
129: Test timeout computed to be: 6000
113: end
 98/219 Test #113: test_squareplanar_5 ..............   Passed    1.92 sec
test 130
        Start 130: test_tautomer_7
130: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "7"
130: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
130: Environment variables: 
130:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
130:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
130: Test timeout computed to be: 6000
 99/219 Test #114: test_stereo_1 ....................   Passed    1.94 sec
test 131
        Start 131: test_tautomer_8
131: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "8"
131: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
131: Environment variables: 
131:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
131:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
131: Test timeout computed to be: 6000
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i9o_ioc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i9p_ioe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i9q_iof.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i9z_2ip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ia1_tq3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ia2_tq4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iay_avg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ida_0po.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1idb_0do.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ie8_kh1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iei_zes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1if2_129.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1if7_sbr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1if9_sbb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1igb_ipo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ijr_cc0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ik3_13s.sdf
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C\c1ccc(cc1)C#N)C(=O)N/N=C/c1ccc(cc1)C#N
96: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: CC(=O)O.N=C\1/C=C/C(=C(/c2ccc(N)cc2)\c2ccc(N)c(C)c2)/C=C1
96: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1.CC(=O)O
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: CCNc1ccc(cc1)/C(=C/1\C=C/C(=N)/C=C1)/c1ccc(N(CC)CC)c(C)c1
96: ref = CCNc1ccc(cc1)/C(=C/1\C=CC(=N)C=C1)/c1ccc(c(c1)C)N(CC)CC
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: C[C@H]1CCCCN1/C=C/1\C(=O)O[C@@](C)(CC)OC1=O
96: ref = CC[C@]1(C)OC(=O)/C(=C\N2CCCC[C@@H]2C)/C(=O)O1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: N=C\1/C=C/C(=C(\c2ccc(N)cc2)/c2ccc(N)c(C)c2)/C=C1
96: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: N=C\1/C=C/C(=N\Cc2ccc(N)cc2)/C=C1
96: ref = N=C1C=C/C(=N/Cc2ccc(cc2)N)/C=C1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.NCCCNCCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
97: ref = NCCCNCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
97: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
97: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.NCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
97: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Br.NCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
97: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: CC(=O)O.Oc1nc(N)c2nc3c(nc2n1)c1cccc2cccc3c12.OS(=O)(=O)O
97: ref = OS(=O)(=O)O.Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/inositol_neo.mol
98: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@H]([C@H]1C)C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/inositol_scyllo.mol
98: ref = C[C@@H]1[C@@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/inositol_chiroD.mol
98: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@H]([C@@H]([C@H]1C)C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: stereo/inositol_chiroL.mol
98: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@H]([C@H]1C)C)C
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O
98: ref = O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@H]([C@H]1O)O)O
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
99: ref = C/C=C/C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_34.mol
99: ref = C/C=C/C(/C=C/C)C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_35.mol
99: ref = C/C=C/C=C/C
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_36.mol
99: ref = CC(/C=C/C(O)C)O
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_37.mol
99: ref = CCC(C(/C=C/C(C(CC)CC)C)C)CC
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_38.mol
99: ref = CC(/C(=C(\C(F)C)/C(F)C)/C(F)C)F
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/razinger_fig7_39.mol
99: ref = CC(C(=C=C(C(F)C)C(F)C)C(F)C)F
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
112: end
100: ref = C[C@H](C[C@H](O)C)C[C@@H](O)C	canon1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon2.mol
100: ref = C[C@@H](C[C@@H](O)C)C[C@@H](O)C	canon2
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon3.mol
100: ref = C[C@@H]1CC[C@H](CC1)C	canon3
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon4.mol
100: ref = C[C@@H]1CC[C@@H](CC1)C	canon4
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon5.mol
100: ref = C[C@@H]1CC[C@]2(CC1)CC[C@@H](CC2)C	canon5
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon6.mol
100: ref = C[C@@H]1C[C@H](O)C[C@@H](C1)O	canon6
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon7.mol
100: ref = C[C@@H]1C[C@@H](O)C[C@@H](C1)O	canon7
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon8.mol
100: ref = C[C@]12CCCC[C@]2(C)CCCC1	canon8
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon9.mol
100: ref = C[C@@H]([C@@H]1CC[C@H](CC1)C)[C@@H]1CC[C@@H](CC1)C	canon9
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon10.mol
100: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon10
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon11.mol
100: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C	canon11
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon12.mol
100: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon12
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon13.mol
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon13
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon14.mol
100: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1O)O	canon14
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon15.mol
100: ref = C[C@@H]1[C@H](O)[C@@H]([C@@H]1O)C	canon15
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon16.mol
100: ref = C[C@@H]1C[C@H](C1)C[C@](C[C@@H]1C[C@@H](C1)C)(C[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)C	canon16
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon17.mol
100: ref = C[C@@H]1CC[C@H](CC1)C1CC[C@H](CC1)C[C@H](C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@@H](CC1)C	canon17
100/219 Test  #98: test_shuffle_3 ...................   Passed    5.57 sec
test 132
        Start 132: test_tautomer_9
132: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "9"
132: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
132: Environment variables: 
132:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
132:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
132: Test timeout computed to be: 6000
101/219 Test  #99: test_shuffle_4 ...................   Passed    5.46 sec
test 133
        Start 133: test_tautomer_10
133: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "10"
133: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
133: Environment variables: 
133:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
133:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
133: Test timeout computed to be: 6000
102/219 Test #105: test_spectrophore_2 ..............   Passed    3.95 sec
test 134
        Start 134: test_tautomer_11
134: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "11"
134: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
134: Environment variables: 
134:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
134:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
134: Test timeout computed to be: 6000
103/219 Test #107: test_spectrophore_4 ..............   Passed    3.65 sec
test 135
        Start 135: test_tautomer_12
135: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "12"
135: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
135: Environment variables: 
135:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
135:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
135: Test timeout computed to be: 6000
104/219 Test #112: test_squareplanar_4 ..............   Passed    3.04 sec
test 136
        Start 136: test_tautomer_13
136: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "13"
136: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
136: Environment variables: 
136:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
136:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
136: Test timeout computed to be: 6000
105/219 Test #115: test_stereo_2 ....................   Passed    2.69 sec
test 137
        Start 137: test_tautomer_14
137: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "14"
137: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
137: Environment variables: 
137:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
137:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
137: Test timeout computed to be: 6000
106/219 Test #116: test_stereo_3 ....................   Passed    2.72 sec
test 138
        Start 138: test_tautomer_15
138: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "15"
138: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
138: Environment variables: 
138:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
138:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
138: Test timeout computed to be: 6000
107/219 Test #117: test_stereo_4 ....................   Passed    2.57 sec
test 139
        Start 139: test_tautomer_16
139: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "16"
139: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
139: Environment variables: 
139:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
139:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
139: Test timeout computed to be: 6000
108/219 Test #118: test_stereo_5 ....................   Passed    2.61 sec
test 140
        Start 140: test_tautomer_17
140: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "17"
140: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
140: Environment variables: 
140:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
140:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
140: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ikg_rex.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1inh_st6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1inw_axp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iop_he6.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 2 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 4 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iov_pob.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jn4_139.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jnq_egt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jp3_egc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jqd_hsm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jqe_qun.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jqy_a32.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jr0_a24.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jr4_cl4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jsz_ndm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jut_lyd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jv4_tzl.sdf
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])[C@H]9C7=C6C5=C89)[C@H]5C3=C2C1=C45.F[B-](F)(F)F
96: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9=C6C7=C5[C@@H]89)C5=C3C2=C1[C@H]45.F[B-](F)(F)F
96: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: C12=C3C4=C5[C@H]1[Fe]16782345C2=C6C7=C1C82
97: ref = C12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: C12([C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3)OC(=O)C
97: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: [Fe]12345678(C9(C1=C4C3=C29)C=O)C1=C6C7=C5C81
97: ref = O=CC12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: [Fe+2]12345678([C-]9(C1=C7C6=C29)CCCCNCCCCN)C1=C4C5=C3[C-]81.Br
97: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon18.mol
100: ref = CC[C@@](C[C@@H]1C[C@H](C1)C)(C[C@@H]1C[C@@H](C1)C)C	canon18
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon19.mol
100: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon19.mol
100: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon20.mol
100: ref = C[C@H](C[C@](C[C@H](Cl)C)(C[C@@H](Cl)C)C[C@@H](O)C)O	canon20
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon21.mol
100: ref = O[C@H](C[C@](C[C@H](C[C@H](O)C)O)(C[C@@H](C[C@H](O)C)O)C[C@@H](C[C@@H](O)C)O)C[C@@H](O)C	canon21
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon22.mol
100: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon22
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon23.mol
100: ref = C[C@@H]1[C@H]([C@@H]1C)C	canon23
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon24.mol
100: ref = C[C@]12CCCC[C@@]2(C)CC2(C1)CCC2
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans1.mol
100: ref = C/C=C\C[C@H](C/C=C/C)C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans2.mol
100: ref = C/C=C/C[C@H](C/C=C/C)C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans3.mol
100: ref = C/C=C/1\CC/C(=C\C)/CC1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans4.mol
100: ref = C/C=C/1\CC/C(=C/C)/CC1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans5.mol
100: ref = C/C=C/1\CC[C@]2(CC1)CC/C(=C\C)/CC2
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans6.mol
100: ref = C/C=C/1\C/C(=C/O)/C/C(=C\O)/C1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans7.mol
100: ref = C/C=C/1\C/C(=C\O)/C/C(=C\O)/C1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans8.mol
100: ref = C/C=C/1\CC[C@H](CC1)[C@H]([C@@H]1CC/C(=C\C)/CC1)C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans9.mol
100: ref = C/C=C/1\C(=C\C)\C1=C/C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans15.mol
100: ref = C/C=C\C=C\C[C@@](C/C=C\C=C\C)(C/C=C\C=C/C)C/C=C/C=C/C
119: structure perception1
119: structure perception2
119: structure perception3
119: structure perception4
119: structure perception5
119: structure perception6
119: structure perception7
119: structure perception8
119: structure perception9
119: structure perception10
119: structure perception11
119: structure perception12
119: structure perception13
119: structure perception14
119: structure perception15
119: structure perception16
119: structure perception17
119: structure perception18
119: structure perception19
119: structure perception20
119: Razinger paper, fig. 1: structure a
119: Razinger paper, fig. 1: structure b
119: Razinger paper, fig. 1: structure c
119: Razinger paper, fig. 1: structure d
119: Razinger paper, fig. 1: structure e
119: Razinger paper, fig. 1: structure f
119: Razinger paper, fig. 1: structure g
119: Razinger paper, fig. 1: structure h
119: Razinger paper, fig. 1: structure i
119: Razinger paper, fig. 1: structure j
119: Razinger paper, fig. 1: structure k
119: Razinger paper, fig. 1: structure l
119: Razinger paper, fig. 1: structure m
120: N[C@H](F)O	
120: 
109/219 Test #120: test_stereoperception_1 ..........   Passed    2.51 sec
test 141
        Start 141: test_tautomer_18
141: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "18"
141: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
141: Environment variables: 
141:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
141:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
141: Test timeout computed to be: 6000
110/219 Test #123: test_stereoperception_4 ..........   Passed    2.26 sec
test 142
        Start 142: test_tautomer_19
142: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "19"
142: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
142: Environment variables: 
142:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
142:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
142: Test timeout computed to be: 6000
122: F[C@@](I)(Br)Cl	
122: 
122: F[C@H](Br)Cl	
122: 
122: FC(Br)Cl	
122: 
122: FC(Br)Cl	
122: 
111/219 Test #122: test_stereoperception_3 ..........   Passed    2.58 sec
test 143
        Start 143: test_tautomer_20
143: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "20"
143: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
143: Environment variables: 
143:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
143:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
143: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jvi_rhc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jvu_c2p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jvz_cen.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jwt_bli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jx1_dfv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jx6_ai2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jzs_mrc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k0u_dea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k0y_cno.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1i_fd1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1j_fd2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1l_fd3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1m_fd4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1o_ign.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1p_mel.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k2o_rfa.sdf
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: O[C@H]1CC[C@@H](O)CC1
97: ref = O[C@@H]1CC[C@@H](CC1)O
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1
97: ref = c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/canon_cistrans16.mol
100: ref = C/C=C(/[C@@H]1CC[C@H](CC1)C)\[C@@H]1CC[C@@H](CC1)C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
112/219 Test #100: test_shuffle_5 ...................   Passed    7.31 sec
test 144
        Start 144: test_tautomer_21
144: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "21"
144: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
144: Environment variables: 
144:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
144:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
144: Test timeout computed to be: 6000
121: F/C=C/F	
121: 
113/219 Test #121: test_stereoperception_2 ..........   Passed    3.34 sec
test 145
        Start 145: test_tautomer_22
145: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "22"
145: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
145: Environment variables: 
145:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
145:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
145: Test timeout computed to be: 6000
114/219 Test #127: test_tautomer_4 ..................   Passed    2.81 sec
test 146
        Start 146: test_tautomer_23
146: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "23"
146: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
146: Environment variables: 
146:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
146:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
146: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k3t_brz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k3u_iad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k4g_aiq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k4h_apq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k5s_gro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k70_hpy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k74_544.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k7e_iag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k7f_iav.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k90_3at.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k9s_fm1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k9s_fm2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kak_fnp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kav_fep.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kbo_340.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kbq_936.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kc7_ppr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kdk_dht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ke6_ls2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ke7_ls3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ke8_ls4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kek_htl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kgj_fl8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kgt_pml.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1khf_pep.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ki3_pe2.sdf
96: ==================== end doRoundtrip =========================
96:  True Shuffling: c1[14cH]cccc1
96: ref = [14cH]1ccccc1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: [14cH]1[14cH]cccc1
96: ref = [14cH]1[14cH]cccc1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: [14cH]1[14cH]ccc[14cH]1
96: ref = [14cH]1[14cH]ccc[14cH]1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: [14cH]1[14cH]cc[14cH][14cH]1
96: ref = [14cH]1[14cH][14cH]cc[14cH]1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: [14cH]1[14cH]c[14cH][14cH][14cH]1
96: ref = [14cH]1[14cH][14cH]c[14cH][14cH]1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
97: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
115/219 Test #124: test_tautomer_1 ..................   Passed    3.23 sec
test 147
        Start 147: test_tautomer_24
147: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "24"
147: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
147: Environment variables: 
147:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
147:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
147: Test timeout computed to be: 6000
116/219 Test #125: test_tautomer_2 ..................   Passed    3.29 sec
test 148
        Start 148: test_tautomer_25
148: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "25"
148: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
148: Environment variables: 
148:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
148:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
148: Test timeout computed to be: 6000
117/219 Test #133: test_tautomer_10 .................   Passed    2.64 sec
test 149
        Start 149: test_tautomer_26
149: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "26"
149: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
149: Environment variables: 
149:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
149:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
149: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ki4_btd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ki6_ahu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ki7_id2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ki8_bvd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kkf_dpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kkq_471.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1klk_pmd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1klm_spp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kmh_ttx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kmn_hso.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kms_lih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kmv_lii.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1knu_ypa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kpe_adw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kpg_16a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kph_10a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kq0_med.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kqo_dnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kqu_br4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kru_ipt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ksn_fxv.sdf
96: ==================== end doRoundtrip =========================
96:  True Shuffling: [14cH]1[14cH][14cH][14cH][14cH][14cH]1
96: ref = [14cH]1[14cH][14cH][14cH][14cH][14cH]1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: stereo/error2.smi
96: ref = N#CC1[C@H]([C@@H]1C#N)C#N.N#CC1[C@H]([C@@H]1C#N)C#N
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = O=C(c1ccncn1)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = Clc1cc(nc(n1)Cl)O[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = OC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]([C@H]1c1ccccc1)C(=O)O
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = OC(=O)[C@]12[C@@H]3CC[C@H]([C@]2(C(=O)O)[C@@H]2O[C@H]1CC2)O3
97: ==================== end doRoundtrip =========================
97:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
97: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
97: ref = C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
97: ==================== start doRoundtrip =========================
118/219 Test #131: test_tautomer_8 ..................   Passed    3.18 sec
test 150
        Start 150: test_tautomer_27
150: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "27"
150: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
150: Environment variables: 
150:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
150:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
150: Test timeout computed to be: 6000
119/219 Test #132: test_tautomer_9 ..................   Passed    3.15 sec
test 151
        Start 151: test_tautomer_28
151: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tautomertest" "28"
151: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
151: Environment variables: 
151:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
151:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
151: Test timeout computed to be: 6000
120/219 Test #136: test_tautomer_13 .................   Passed    2.64 sec
test 152
        Start 152: test_tetrahedral_1
152: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "1"
152: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
152: Environment variables: 
152:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
152:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
152: Test timeout computed to be: 6000
121/219 Test #135: test_tautomer_12 .................   Passed    3.26 sec
test 153
        Start 153: test_tetrahedral_2
153: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "2"
153: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
153: Environment variables: 
153:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
153:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
153: Test timeout computed to be: 6000
122/219 Test #134: test_tautomer_11 .................   Passed    3.70 sec
test 154
        Start 154: test_tetrahedral_3
154: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "3"
154: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
154: Environment variables: 
154:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
154:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
154: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ksw_nbs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kvl_cls.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kvl_thn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kvo_oap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kw1_lg6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kww_mfu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kwx_mfb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ky5_ady.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyn_ktp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyw_hfl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyx_crm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyy_ini.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kz8_pfe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kzn_cbn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l2j_etc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l2s_stc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l3l_lae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4e_rbz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4f_150.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4g_ncn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4h_ind.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4k_34a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4l_xyd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4m_2ac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4n_2af.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5k_1rb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5l_7rp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5m_7ra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5m_nio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5o_2mp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5r_mrd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l6f_pp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l6g_pdd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l8g_dbd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l9w_dhs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lbt_t80.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lbx_ipd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lc8_33p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lca_ump.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lcb_tmp.sdf
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = Nc1nc(S)nc(c1)C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = O1[C@@H]2[C@@H]1[C@@H]1O[C@H]1[C@H]1[C@H]([C@@H]3[C@H]2O3)O1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = C1=C[C@H]2[C@@H]1[C@]1(N=N[C@]2(Cc2ccccc2)[C@@H]2[C@H]1C=C2)Cc1ccccc1
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: CC(=CCN[C@]12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1)C
97: ref = CC(=CCN[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: Brc1ccc(nc1)NC(=S)N[C@]12C[C@@H]3C[C@H](C[C@@H](C3)C2)C1
97: ref = S=C(N[C@]12C[C@@H]3C[C@@H](C2)C[C@@H](C1)C3)Nc1ccc(cn1)Br
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
123/219 Test #130: test_tautomer_7 ..................   Passed    4.60 sec
test 155
        Start 155: test_tetrahedral_4
155: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "4"
155: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
155: Environment variables: 
155:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
155:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
155: Test timeout computed to be: 6000
124/219 Test #142: test_tautomer_19 .................   Passed    3.00 sec
test 156
        Start 156: test_tetrahedral_5
156: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "5"
156: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
156: Environment variables: 
156:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
156:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
156: Test timeout computed to be: 6000
125/219 Test #128: test_tautomer_5 ..................   Passed    4.99 sec
test 157
        Start 157: test_tetranonplanar_1
157: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tetranonplanartest" "1"
157: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
157: Environment variables: 
157:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
157:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
157: Test timeout computed to be: 6000
126/219 Test #137: test_tautomer_14 .................   Passed    3.91 sec
test 158
        Start 158: test_tetraplanar_1
158: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "tetraplanartest" "1"
158: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
158: Environment variables: 
158:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
158:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
158: Test timeout computed to be: 6000
127/219 Test #129: test_tautomer_6 ..................   Passed    5.09 sec
test 159
        Start 159: test_uniqueid_1
159: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "uniqueidtest" "1"
159: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
159: Environment variables: 
159:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
159:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
159: Test timeout computed to be: 6000
128/219 Test #140: test_tautomer_17 .................   Passed    3.70 sec
test 160
        Start 160: test_uniqueid_2
160: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "uniqueidtest" "2"
160: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
160: Environment variables: 
160:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
160:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
160: Test timeout computed to be: 6000
129/219 Test #138: test_tautomer_15 .................   Passed    4.18 sec
test 161
        Start 161: test_aromatest_1
161: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "aromatest" "1"
161: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
161: Environment variables: 
161:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
161:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
161: Test timeout computed to be: 6000
130/219 Test #143: test_tautomer_20 .................   Passed    3.37 sec
test 162
        Start 162: test_atom_1
162: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "atom" "1"
162: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
162: Environment variables: 
162:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
162:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
162: Test timeout computed to be: 6000
131/219 Test #152: test_tetrahedral_1 ...............   Passed    1.95 sec
test 163
        Start 163: test_atom_2
163: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "atom" "2"
163: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
163: Environment variables: 
163:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
163:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
163: Test timeout computed to be: 6000
153: ==============================
153: *** Open Babel Error  in SetConfig
153:   OBTetrahedralStereo::SetConfig : center atom id is invalid.
153: ==============================
153: *** Open Babel Error  in SetConfig
153:   OBTetrahedralStereo::SetConfig : from/towards atom id is invalid.
153: ==============================
153: *** Open Babel Error  in SetConfig
153:   OBTetrahedralStereo::SetConfig : found 0 reference ids, should be 3.
132/219 Test #153: test_tetrahedral_2 ...............   Passed    1.49 sec
test 164
        Start 164: test_atom_3
164: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "atom" "3"
164: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
164: Environment variables: 
164:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
164:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
164: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lcw_shm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ld7_u66.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ld8_u49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ldc_fmn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lde_fpi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ldo_snr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ldy_cxf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lee_r36.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lel_bh7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lev_cli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lf2_r37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lf3_eh5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lgt_bp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lhn_aon.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lhw_esm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1li4_noc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lij_rpp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ljr_gsh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ljt_hdi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lk7_der.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lkd_bp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lod_mur.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lol_xmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lpk_cbb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lpp_hds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lpz_cmb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lqd_cmi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lr8_ihs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lt8_cbh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lv0_ger.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lvk_mnt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lvu_9pp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lw2_u05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lwv_ang.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lww_brg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lwx_azd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lx6_zam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lxc_aym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ly3_cog.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ly4_coq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m0n_hcp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m0o_mpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m0p_elp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m13_hyf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m1o_caa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m2p_hna.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m2q_mnx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m2r_mny.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m48_frg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m49_cmm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m51_tsx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m52_p17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m5b_bn1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m5c_brh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m5e_am1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m66_bcp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m67_boa.sdf
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = c1ccc2c(c1)O[Cu@]13[N+](=C2)CCC[O+]1[Cu@]12[O+]3CCC[N+]2=Cc2c(O1)cccc2
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = CN1C[C@@H]2CN(C[C@H](C1)[C@@]2(O)c1ccccc1)C
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = C1CCC2N(C1)[C@@H]1CCCCN1[C@@H]1N2CCCC1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = CN1[C@@H]2CC(=O)C[C@H]1[C@H]1C[C@@H]2C1
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ref = CCCCCCCCCCCCCCCCCCSC[C@]12[C@H](COS(=O)(=O)O)[C@@H](COS(=O)(=O)O)[C@H](c3c1cccc3)c1c2cccc1.[NaH]
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==============================
96: *** Open Babel Warning  in ParseSmiles
96:   Failed to kekulize aromatic SMILES
96: 
96: ref = O=C(c1cc(ccc1O)S(=O)(=O)O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(ccc1O)S(=O)(=O)O.CN1[CH]C=CC=C1.[NaH].Cl
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: F[Po@SP1](Cl)(Br)I
96: ref = F[Po@SP1](I)(Br)Cl
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: F[Po@SP2](Br)(Cl)I
96: ref = F[Po@SP1](I)(Br)Cl
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96:  True Shuffling: F[Po@SP3](Cl)(I)Br
96: ref = F[Po@SP1](I)(Br)Cl
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
96: ==================== start doRoundtrip =========================
96: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: c1ccc2c(c1)[C@H]1[C@@H]3O[C@@H]3[C@@H]2c2ccccc12
97: ref = O1[C@@H]2[C@H]1[C@@H]1c3c([C@H]2c2c1cccc2)cccc3
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: C(C/N=C\c1ccccc1)/N=C/c1ccccc1
97: ref = N(=C\c1ccccc1)\CC/N=C/c1ccccc1
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: O=C(CCCC(=O)N/N=C(/C)\c1ccccc1)N/N=C(\C)/c1ccccc1
97: ref = O=C(N/N=C(\c1ccccc1)/C)CCCC(=O)N/N=C(/c1ccccc1)\C
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C
97: ref = C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: OC[C@H](O)COP1(=O)O[Pt@]2(N[C@H]3CCCC[C@@H]3N2)O1
97: ref = OC[C@@H](COP1(=O)O[Pt@]2(O1)N[C@@H]1[C@@H](N2)CCCC1)O
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: n1ccc(cc1)C12C[C@H]3C[C@H](C[C@H](C3)C2)C1
97: ref = C1[C@@H]2C[C@@H]3C[C@H]1CC(C2)(C3)c1ccncc1
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
119: Razinger paper, fig. 1: structure n
119: Razinger paper, fig. 1: structure o
119: Razinger paper, fig. 1: structure p
156: ==============================
156: *** Open Babel Error  in ToConfig
156:   OBTetraNonPlanarStereo::ToConfig : Invalid from in ConfigType struct.
161: 
161: # Testing aromaticity perception...  
162: # Unit tests for OBAtom 
133/219 Test #104: test_spectrophore_1 ..............   Passed    9.32 sec
test 165
        Start 165: test_atom_4
165: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "atom" "4"
165: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
165: Environment variables: 
165:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
165:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
165: Test timeout computed to be: 6000
134/219 Test #119: test_stereo_6 ....................   Passed    7.14 sec
test 166
        Start 166: test_bond_1
166: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "bond" "1"
166: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
166: Environment variables: 
166:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
166:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
166: Test timeout computed to be: 6000
135/219 Test #126: test_tautomer_3 ..................   Passed    6.30 sec
test 167
        Start 167: test_cansmi_1
167: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cansmi" "1"
167: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
167: Environment variables: 
167:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
167:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
167: Test timeout computed to be: 6000
136/219 Test #139: test_tautomer_16 .................   Passed    4.81 sec
test 168
        Start 168: test_charge_mmff94_1
168: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "charge_mmff94" "1"
168: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
168: Environment variables: 
168:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
168:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
168: Test timeout computed to be: 6000
137/219 Test #141: test_tautomer_18 .................   Passed    4.53 sec
test 169
        Start 169: test_charge_gasteiger_1
169: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "charge_gasteiger" "1"
169: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
169: Environment variables: 
169:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
169:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
169: Test timeout computed to be: 6000
138/219 Test #144: test_tautomer_21 .................   Passed    3.87 sec
test 170
        Start 170: test_datatest_1
170: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "datatest" "1"
170: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
170: Environment variables: 
170:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
170:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
170: Test timeout computed to be: 6000
139/219 Test #145: test_tautomer_22 .................   Passed    3.79 sec
test 171
        Start 171: test_ffgaff_1
171: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "ffgaff" "1"
171: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
171: Environment variables: 
171:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
171:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
171: Test timeout computed to be: 6000
140/219 Test #147: test_tautomer_24 .................   Passed    3.56 sec
test 172
        Start 172: test_ffghemical_1
172: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "ffghemical" "1"
172: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
172: Environment variables: 
172:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
172:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
172: Test timeout computed to be: 6000
141/219 Test #148: test_tautomer_25 .................   Passed    3.46 sec
test 173
        Start 173: test_ffmmff94_1
173: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "ffmmff94" "1"
173: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
173: Environment variables: 
173:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
173:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
173: Test timeout computed to be: 6000
142/219 Test #154: test_tetrahedral_3 ...............   Passed    2.11 sec
test 174
        Start 174: test_ffmmff94_2
174: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "ffmmff94" "2"
174: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
174: Environment variables: 
174:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
174:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
174: Test timeout computed to be: 6000
143/219 Test #155: test_tetrahedral_4 ...............   Passed    1.85 sec
test 175
        Start 175: test_ffmmff94_3
175: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "ffmmff94" "3"
175: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
175: Environment variables: 
175:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
175:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
175: Test timeout computed to be: 6000
144/219 Test #156: test_tetrahedral_5 ...............   Passed    1.81 sec
test 176
        Start 176: test_ffmmff94_4
176: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "ffmmff94" "4"
176: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
176: Environment variables: 
176:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
176:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
176: Test timeout computed to be: 6000
145/219 Test #157: test_tetranonplanar_1 ............   Passed    1.79 sec
test 177
        Start 177: test_ffmmff94_5
177: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "ffmmff94" "5"
177: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
177: Environment variables: 
177:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
177:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
177: Test timeout computed to be: 6000
146/219 Test #158: test_tetraplanar_1 ...............   Passed    1.76 sec
test 178
        Start 178: test_ffmmff94_6
178: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "ffmmff94" "6"
178: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
178: Environment variables: 
178:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
178:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
178: Test timeout computed to be: 6000
147/219 Test #159: test_uniqueid_1 ..................   Passed    1.78 sec
test 179
        Start 179: test_ffuff_1
179: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "ffuff" "1"
179: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
179: Environment variables: 
179:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
179:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
179: Test timeout computed to be: 6000
148/219 Test #160: test_uniqueid_2 ..................   Passed    1.69 sec
test 180
        Start 180: test_formalcharge_1
180: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "formalcharge" "1"
180: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
180: Environment variables: 
180:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
180:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
180: Test timeout computed to be: 6000
149/219 Test #162: test_atom_1 ......................   Passed    1.48 sec
test 181
        Start 181: test_format_1
181: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "format" "1"
181: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
181: Environment variables: 
181:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
181:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
181: Test timeout computed to be: 6000
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m6w_12h.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mau_ltn.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mbx_ybt.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nht_hda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nht_pgs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nhu_153.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nhv_154.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nhx_ftb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ni1_2c5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nis_ntc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nj5_p5a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nje_dcm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nl4_ftl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nl9_989.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nm6_l86.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nmk_sfm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nmq_160.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nms_161.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nmu_mtt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nmx_fdm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nmz_nym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nn3_2dt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nnk_ce2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1no6_794.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1now_ifg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1npv_l27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nq7_arl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nqa_g3h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nqv_lmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nqw_5yl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nqx_rlp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nrl_srl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nsg_rad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nt1_t76.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nup_nmn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nuq_nxx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nvs_ucm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nwg_bgn.sdf
150/219 Test  #96: test_shuffle_1 ...................   Passed   12.55 sec
test 182
        Start 182: test_formula_1
182: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "formula" "1"
182: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
182: Environment variables: 
182:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
182:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
182: Test timeout computed to be: 6000
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: C12=C3C4=C5[C@H]1[Fe]16782345C2=C6C7=C1C82
97: ref = C12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: CC(=O)O.Oc1nc2nc3c(nc2c(N)n1)c1cccc2cccc3c12
97: ref = Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: stereo/incorrect_canon1.mol
97: ref = CC1CCC2(CC1)CCCCC2
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
97:  True Shuffling: stereo/incorrect_canon2.mol
97: ref = C1CCC2C(C1)CC1(C2)CCC1
97: ==================== start doRoundtrip =========================
97: ==================== end doRoundtrip =========================
151/219 Test  #97: test_shuffle_2 ...................   Passed   12.56 sec
test 183
        Start 183: test_internalcoord_1
183: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "internalcoord" "1"
183: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
183: Environment variables: 
183:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
183:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
183: Test timeout computed to be: 6000
161: ok 1
161: ok 2
161: ok 3
161: ok 4
161: ok 5
161: ok 6
161: ok 7
161: ok 8
161: ok 9
161: ok 10
161: ok 11
161: ok 12
161: ok 13
161: ok 14
161: ok 15
161: ok 16
161: ok 17
161: ok 18
161: ok 19
161: ok 20
161: ok 21
161: ok 22
161: ok 23
161: ok 24
161: ok 25
161: ok 26
161: ok 27
161: ok 28
161: ok 29
161: ok 30
161: ok 31
161: ok 32
161: ok 33
161: ok 34
161: ok 35
161: ok 36
161: ok 37
161: ok 38
161: ok 39
161: ok 40
161: ok 41
161: ok 42
161: ok 43
161: ok 44
161: ok 45
161: ok 46
161: ok 47
161: ok 48
161: ok 49
161: ok 50
161: ok 51
161: ok 52
161: ok 53
161: ok 54
161: ok 55
161: ok 56
161: ok 57
161: ok 58
161: ok 59
161: ok 60
161: ok 61
161: ok 62
161: ok 63
161: ok 64
161: ok 65
161: ok 66
161: ok 67
161: ok 68
161: ok 69
161: ok 70
161: ok 71
161: ok 72
161: ok 73
161: ok 74
161: ok 75
161: ok 76
161: ok 77
161: ok 78
161: ok 79
161: ok 80
161: ok 81
161: ok 82
161: ok 83
161: ok 84
161: ok 85
161: ok 86
161: ok 87
161: ok 88
161: ok 89
161: ok 90
161: ok 91
161: ok 92
161: ok 93
161: ok 94
161: ok 95
161: ok 96
161: ok 97
161: ok 98
161: ok 99
161: ok 100
161: ok 101
161: ok 102
161: ok 103
161: ok 104
161: ok 105
161: ok 106
161: ok 107
161: ok 108
161: ok 109
161: ok 110
161: ok 111
161: ok 112
161: ok 113
161: ok 114
161: ok 115
161: ok 116
161: ok 117
161: ok 118
161: ok 119
161: ok 120
161: ok 121
161: ok 122
161: ok 123
161: ok 124
161: ok 125
161: ok 126
161: ok 127
161: ok 128
161: ok 129
161: ok 130
161: ok 131
161: ok 132
161: ok 133
161: ok 134
161: ok 135
161: ok 136
161: ok 137
161: ok 138
161: ok 139
161: ok 140
161: ok 141
161: ok 142
161: ok 143
161: ok 144
161: ok 145
161: ok 146
161: ok 147
161: ok 148
161: ok 149
161: ok 150
161: ok 151
161: ok 152
161: ok 153
161: ok 154
161: ok 155
161: ok 156
161: ok 157
161: ok 158
161: ok 159
161: ok 160
161: ok 161
161: ok 162
161: ok 163
161: ok 164
161: ok 165
161: ok 166
161: ok 167
161: ok 168
161: ok 169
161: ok 170
161: ok 171
161: ok 172
161: ok 173
161: ok 174
161: ok 175
161: ok 176
161: ok 177
161: ok 178
161: ok 179
161: ok 180
161: ok 181
161: ok 182
161: ok 183
161: ok 184
161: ok 185
161: ok 186
161: ok 187
161: ok 188
161: ok 189
161: ok 190
161: ok 191
161: ok 192
161: ok 193
161: ok 194
161: ok 195
161: ok 196
161: ok 197
161: ok 198
161: ok 199
161: ok 200
161: ok 201
161: ok 202
161: ok 203
161: ok 204
161: ok 205
161: ok 206
161: ok 207
161: ok 208
161: ok 209
161: ok 210
161: ok 211
161: ok 212
161: ok 213
161: ok 214
161: ok 215
161: ok 216
161: ok 217
161: ok 218
161: ok 219
161: ok 220
161: ok 221
161: ok 222
161: ok 223
161: ok 224
161: ok 225
161: ok 226
161: ok 227
161: ok 228
161: ok 229
161: ok 230
161: ok 231
161: ok 232
161: ok 233
161: ok 234
161: ok 235
161: ok 236
161: ok 237
161: ok 238
161: ok 239
161: ok 240
161: ok 241
161: ok 242
161: ok 243
161: ok 244
161: ok 245
161: ok 246
161: ok 247
161: ok 248
161: ok 249
161: ok 250
161: ok 251
161: ok 252
161: ok 253
161: ok 254
161: ok 255
161: ok 256
161: ok 257
161: ok 258
161: ok 259
161: ok 260
161: ok 261
161: ok 262
161: ok 263
161: ok 264
161: ok 265
161: ok 266
161: ok 267
161: ok 268
161: ok 269
161: ok 270
161: ok 271
161: ok 272
161: ok 273
161: ok 274
161: ok 275
161: ok 276
161: ok 277
161: ok 278
161: ok 279
161: ok 280
161: ok 281
161: ok 282
161: ok 283
161: ok 284
161: ok 285
161: ok 286
161: ok 287
161: ok 288
161: ok 289
161: ok 290
161: ok 291
161: ok 292
161: ok 293
161: ok 294
161: ok 295
161: ok 296
161: ok 297
161: ok 298
161: ok 299
161: ok 300
161: ok 301
161: ok 302
161: ok 303
161: ok 304
161: ok 305
161: ok 306
161: ok 307
161: ok 308
161: ok 309
161: ok 310
161: ok 311
161: ok 312
161: ok 313
161: ok 314
161: ok 315
161: ok 316
161: ok 317
161: ok 318
161: ok 319
161: ok 320
161: ok 321
161: ok 322
161: ok 323
161: ok 324
161: ok 325
161: ok 326
161: ok 327
161: ok 328
161: ok 329
161: ok 330
161: ok 331
161: ok 332
161: ok 333
161: ok 334
161: ok 335
161: ok 336
161: ok 337
161: ok 338
161: ok 339
161: ok 340
161: ok 341
161: ok 342
161: ok 343
161: ok 344
161: ok 345
161: ok 346
161: ok 347
161: ok 348
161: ok 349
161: ok 350
161: ok 351
161: ok 352
161: ok 353
161: ok 354
161: ok 355
161: ok 356
161: ok 357
161: ok 358
161: ok 359
161: ok 360
161: ok 361
161: ok 362
161: ok 363
161: ok 364
161: ok 365
161: ok 366
161: ok 367
161: ok 368
161: ok 369
161: ok 370
161: ok 371
161: ok 372
161: ok 373
161: ok 374
161: ok 375
161: ok 376
161: ok 377
161: ok 378
161: ok 379
161: ok 380
161: ok 381
161: ok 382
161: ok 383
161: ok 384
161: ok 385
161: ok 386
161: ok 387
161: ok 388
161: ok 389
161: ok 390
161: ok 391
161: ok 392
161: ok 393
161: ok 394
161: ok 395
161: ok 396
161: ok 397
161: ok 398
161: ok 399
161: ok 400
161: ok 401
161: ok 402
161: ok 403
161: ok 404
161: ok 405
161: ok 406
161: ok 407
161: ok 408
161: ok 409
161: ok 410
161: ok 411
161: ok 412
161: ok 413
161: ok 414
161: ok 415
161: ok 416
161: ok 417
161: ok 418
161: ok 419
161: ok 420
161: ok 421
161: ok 422
161: ok 423
161: ok 424
161: ok 425
161: ok 426
161: ok 427
161: ok 428
161: ok 429
161: ok 430
161: ok 431
161: ok 432
161: ok 433
161: ok 434
161: ok 435
161: ok 436
161: ok 437
161: ok 438
161: ok 439
161: ok 440
161: ok 441
161: ok 442
161: ok 443
161: ok 444
161: ok 445
161: ok 446
161: ok 447
161: ok 448
161: ok 449
161: ok 450
161: ok 451
161: ok 452
161: ok 453
161: ok 454
161: ok 455
161: ok 456
161: ok 457
161: ok 458
161: ok 459
161: ok 460
161: ok 461
161: ok 462
161: ok 463
161: ok 464
161: ok 465
161: ok 466
161: ok 467
161: ok 468
161: ok 469
161: ok 470
161: ok 471
161: ok 472
161: ok 473
161: ok 474
161: ok 475
161: ok 476
161: ok 477
161: ok 478
161: ok 479
161: ok 480
161: ok 481
161: ok 482
161: ok 483
161: ok 484
161: ok 485
161: ok 486
161: ok 487
161: ok 488
161: ok 489
161: ok 490
161: ok 491
161: ok 492
161: ok 493
161: ok 494
161: ok 495
161: ok 496
161: ok 497
161: ok 498
161: ok 499
161: ok 500
161: ok 501
161: ok 502
161: ok 503
161: ok 504
161: ok 505
161: ok 506
161: ok 507
161: ok 508
161: ok 509
161: ok 510
161: ok 511
161: ok 512
161: ok 513
161: ok 514
161: ok 515
161: ok 516
161: ok 517
161: ok 518
161: ok 519
161: ok 520
161: ok 521
161: ok 522
161: ok 523
161: ok 524
161: ok 525
161: ok 526
161: ok 527
161: ok 528
161: ok 529
161: ok 530
161: ok 531
161: ok 532
161: ok 533
161: ok 534
161: ok 535
161: ok 536
161: ok 537
161: ok 538
161: ok 539
161: ok 540
161: ok 541
161: ok 542
161: ok 543
161: ok 544
161: ok 545
161: ok 546
161: ok 547
161: ok 548
161: ok 549
161: ok 550
161: ok 551
161: ok 552
161: ok 553
161: ok 554
161: ok 555
161: ok 556
161: ok 557
161: ok 558
161: ok 559
161: ok 560
161: ok 561
161: ok 562
161: ok 563
161: ok 564
161: ok 565
161: ok 566
161: ok 567
161: ok 568
161: ok 569
161: ok 570
161: ok 571
161: ok 572
161: ok 573
161: ok 574
161: ok 575
161: ok 576
161: ok 577
161: ok 578
161: ok 579
161: ok 580
161: ok 581
161: ok 582
161: ok 583
161: ok 584
161: ok 585
161: ok 586
161: ok 587
161: ok 588
161: ok 589
161: ok 590
161: ok 591
161: ok 592
161: ok 593
161: ok 594
161: ok 595
161: ok 596
161: ok 597
161: ok 598
161: ok 599
161: ok 600
161: ok 601
161: ok 602
161: ok 603
161: ok 604
161: ok 605
161: ok 606
161: ok 607
161: ok 608
161: ok 609
161: ok 610
161: ok 611
161: ok 612
161: ok 613
161: ok 614
161: ok 615
161: ok 616
161: ok 617
161: ok 618
161: ok 619
161: ok 620
161: ok 621
161: ok 622
161: ok 623
161: ok 624
161: ok 625
161: ok 626
161: ok 627
161: ok 628
161: ok 629
161: ok 630
161: ok 631
161: ok 632
161: ok 633
161: ok 634
161: ok 635
161: ok 636
161: ok 637
161: ok 638
161: ok 639
161: ok 640
161: ok 641
161: ok 642
161: ok 643
161: ok 644
161: ok 645
161: ok 646
161: ok 647
161: ok 648
161: ok 649
161: ok 650
161: ok 651
161: ok 652
161: ok 653
161: ok 654
161: ok 655
161: ok 656
161: ok 657
161: ok 658
161: ok 659
161: ok 660
161: ok 661
161: ok 662
161: ok 663
161: ok 664
161: ok 665
161: ok 666
161: ok 667
161: ok 668
161: ok 669
161: ok 670
161: ok 671
161: ok 672
161: ok 673
161: ok 674
161: ok 675
161: ok 676
161: ok 677
161: ok 678
161: ok 679
161: ok 680
161: ok 681
161: ok 682
161: ok 683
161: ok 684
161: ok 685
161: ok 686
161: ok 687
161: ok 688
161: ok 689
161: ok 690
161: ok 691
161: ok 692
161: ok 693
161: ok 694
161: ok 695
161: ok 696
161: ok 697
161: ok 698
161: ok 699
161: ok 700
161: ok 701
161: ok 702
161: ok 703
161: ok 704
161: ok 705
161: ok 706
161: ok 707
161: ok 708
161: ok 709
161: ok 710
163: # Unit tests for OBAtom 
163: 0
163: 4294967295
163: ok 3
152/219 Test #163: test_atom_2 ......................   Passed    1.68 sec
test 184
        Start 184: test_invalidsmarts_1
184: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "invalidsmarts" "1"
184: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
184: Environment variables: 
184:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
184:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
184: Test timeout computed to be: 6000
164: # Unit tests for OBAtom 
164: 0
164: 255
164: 200
164: 44
164: ok 4
153/219 Test #164: test_atom_3 ......................   Passed    1.64 sec
test 185
        Start 185: test_invalidsmiles_1
185: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "invalidsmiles" "1"
185: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
185: Environment variables: 
185:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
185:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
185: Test timeout computed to be: 6000
154/219 Test #151: test_tautomer_28 .................   Passed    4.05 sec
test 186
        Start 186: test_iterators_1
186: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "iterators" "1"
186: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
186: Environment variables: 
186:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
186:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
186: Test timeout computed to be: 6000
155/219 Test #150: test_tautomer_27 .................   Passed    4.34 sec
test 187
        Start 187: test_logp_psa_1
187: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "logp_psa" "1"
187: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
187: Environment variables: 
187:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
187:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
187: Test timeout computed to be: 6000
156/219 Test #149: test_tautomer_26 .................   Passed    4.80 sec
test 188
        Start 188: test_math_1
188: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "math" "1"
188: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
188: Environment variables: 
188:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
188:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
188: Test timeout computed to be: 6000
157/219 Test #146: test_tautomer_23 .................   Passed    5.42 sec
test 189
        Start 189: test_math_2
189: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "math" "2"
189: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
189: Environment variables: 
189:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
189:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
189: Test timeout computed to be: 6000
165: # Unit tests for OBAtom 
165: ok 5
165: ok 6
158/219 Test #165: test_atom_4 ......................   Passed    2.37 sec
test 190
        Start 190: test_math_3
190: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "math" "3"
190: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
190: Environment variables: 
190:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
190:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
190: Test timeout computed to be: 6000
166: # Unit tests for OBBond 
166: ok 3
159/219 Test #166: test_bond_1 ......................   Passed    2.44 sec
test 191
        Start 191: test_math_4
191: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "math" "4"
191: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
191: Environment variables: 
191:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
191:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
191: Test timeout computed to be: 6000
167: 
167: # Testing Canonical SMILES Generation ...  
167: ok 1 # number of heavy atoms match
167: ok 2 # number of heavy atoms match
167: ok 3 # number of heavy atoms match
167: ok 4 # number of heavy atoms match
167: ok 5 # number of heavy atoms match
167: ok 6 # number of heavy atoms match
167: ok 7 # number of heavy atoms match
167: ok 8 # number of heavy atoms match
167: ok 9 # number of heavy atoms match
167: ok 10 # number of heavy atoms match
167: ok 11 # number of heavy atoms match
167: ok 12 # number of heavy atoms match
167: ok 13 # number of heavy atoms match
167: ok 14 # number of heavy atoms match
167: ok 15 # number of heavy atoms match
167: ok 16 # number of heavy atoms match
167: ok 17 # number of heavy atoms match
167: ok 18 # number of heavy atoms match
167: ok 19 # number of heavy atoms match
167: ok 20 # number of heavy atoms match
167: ok 21 # number of heavy atoms match
167: ok 22 # number of heavy atoms match
167: ok 23 # number of heavy atoms match
167: ok 24 # number of heavy atoms match
167: ok 25 # number of heavy atoms match
167: ok 26 # number of heavy atoms match
167: ok 27 # number of heavy atoms match
167: ok 28 # number of heavy atoms match
167: ok 29 # number of heavy atoms match
167: ok 30 # number of heavy atoms match
167: ok 31 # number of heavy atoms match
167: ok 32 # number of heavy atoms match
167: ok 33 # number of heavy atoms match
167: ok 34 # number of heavy atoms match
167: ok 35 # number of heavy atoms match
167: ok 36 # number of heavy atoms match
167: ok 37 # number of heavy atoms match
167: ok 38 # number of heavy atoms match
167: ok 39 # number of heavy atoms match
167: ok 40 # number of heavy atoms match
167: ok 41 # number of heavy atoms match
167: ok 42 # number of heavy atoms match
167: ok 43 # number of heavy atoms match
167: ok 44 # number of heavy atoms match
167: ok 45 # number of heavy atoms match
167: ok 46 # number of heavy atoms match
167: ok 47 # number of heavy atoms match
167: ok 48 # number of heavy atoms match
167: ok 49 # number of heavy atoms match
167: ok 50 # number of heavy atoms match
167: ok 51 # number of heavy atoms match
167: ok 52 # number of heavy atoms match
167: ok 53 # number of heavy atoms match
167: ok 54 # number of heavy atoms match
167: ok 55 # number of heavy atoms match
167: ok 56 # number of heavy atoms match
167: ok 57 # number of heavy atoms match
167: ok 58 # number of heavy atoms match
167: ok 59 # number of heavy atoms match
167: ok 60 # number of heavy atoms match
167: ok 61 # number of heavy atoms match
167: ok 62 # number of heavy atoms match
167: ok 63 # number of heavy atoms match
167: ok 64 # number of heavy atoms match
167: ok 65 # number of heavy atoms match
167: ok 66 # number of heavy atoms match
167: ok 67 # number of heavy atoms match
167: ok 68 # number of heavy atoms match
167: ok 69 # number of heavy atoms match
167: ok 70 # number of heavy atoms match
167: ok 71 # number of heavy atoms match
167: ok 72 # number of heavy atoms match
167: ok 73 # number of heavy atoms match
167: ok 74 # number of heavy atoms match
167: ok 75 # number of heavy atoms match
167: ok 76 # number of heavy atoms match
167: ok 77 # number of heavy atoms match
167: ok 78 # number of heavy atoms match
167: ok 79 # number of heavy atoms match
167: ok 80 # number of heavy atoms match
167: ok 81 # number of heavy atoms match
167: ok 82 # number of heavy atoms match
167: ok 83 # number of heavy atoms match
167: ok 84 # number of heavy atoms match
167: ok 85 # number of heavy atoms match
167: ok 86 # number of heavy atoms match
167: ok 87 # number of heavy atoms match
167: ok 88 # number of heavy atoms match
167: ok 89 # number of heavy atoms match
167: ok 90 # number of heavy atoms match
167: ok 91 # number of heavy atoms match
167: ok 92 # number of heavy atoms match
167: ok 93 # number of heavy atoms match
167: ok 94 # number of heavy atoms match
167: ok 95 # number of heavy atoms match
167: ok 96 # number of heavy atoms match
167: ok 97 # number of heavy atoms match
167: ok 98 # number of heavy atoms match
167: ok 99 # number of heavy atoms match
167: ok 100 # number of heavy atoms match
167: ok 101 # number of heavy atoms match
167: ok 102 # number of heavy atoms match
167: ok 103 # number of heavy atoms match
167: ok 104 # number of heavy atoms match
167: ok 105 # number of heavy atoms match
167: ok 106 # number of heavy atoms match
167: ok 107 # number of heavy atoms match
167: ok 108 # number of heavy atoms match
167: ok 109 # number of heavy atoms match
167: ok 110 # number of heavy atoms match
167: ok 111 # number of heavy atoms match
167: ok 112 # number of heavy atoms match
168: # Testing MMFF94 Charge Model...
169: # Testing GASTEIGER Charge Model...
170: # Unit tests for data tables 
170: 1..2
170: ok 1
170: ok 2
160/219 Test #170: test_datatest_1 ..................   Passed    2.28 sec
test 192
        Start 192: test_mol_1
192: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "mol" "1"
192: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
192: Environment variables: 
192:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
192:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
192: Test timeout computed to be: 6000
171: # Testing GAFF Force Field...
172: # Testing Ghemical Force Field...
172: ok 1 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
172:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
172:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
172:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
172:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
172:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
172:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
172:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
172:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
172:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
172:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
172:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
172:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
172:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
172:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
172:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
172:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
172:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
172:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
172:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
172:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
172:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
172:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
172:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
172:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
172:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
172:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
172:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
172:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
172:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
172:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
172:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
172:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
172:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
172:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
172:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
172:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
172:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
172:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
172:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
172:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
172:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
172:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
172:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
172:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
172:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
172:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
172:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
172:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
172:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
172:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
172:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
172: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
172:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
172:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
172:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
172:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
172: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
172:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
172:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
172:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
172:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
172:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
172: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
172:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
172:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
172:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
172:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
172:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
172: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
172:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
172:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
172:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
172:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
172:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
172:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
172:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
172:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
172: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
172:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
172:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
172:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
172:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
172:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
172:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
172:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
172:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
172:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
172:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
172:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
172:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
172:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
172: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
172:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
172:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
172:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
172: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
172:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
172:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
172:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
172:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
172:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
172: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
172:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
172:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
172:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
172:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
172:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
172:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
172:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
172:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
172:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
172:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
172:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
172:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
172:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
172:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
172:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
172:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
172:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
172:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
172:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
172:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
172:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
172:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
172:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
172:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
172:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
172:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
172:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
172:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
172:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
172:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
172:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
172:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
172:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
172:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
172:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
172:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
172:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
172:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
172:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
172:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
172: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
172:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
172:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
172:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
172:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
172:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
172: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
172:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
172:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
172:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
172: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
172:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
172:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
172:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
172:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
172:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
172: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
172:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
172:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
172:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
172:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
172:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
172: ok 2 # gradients 
172: ok 3 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       ( 25.189,  13.959,   7.126)  ( 25.262,  14.010,   7.142)  ( 0.29,  0.36,  0.21)
172:     bond    ( 58.080,   0.609,  15.368)  ( 58.147,   0.652,  15.373)  ( 0.12,  2.59,  0.03)
172:     angle   (-33.014,  13.257,  -8.293)  (-33.009,  13.265,  -8.292)  ( 0.02,  0.06,  0.00)
172:     torsion ( -0.007,  -0.001,   0.014)  ( -0.006,  -0.001,   0.024)  ( 0.00,  0.00,  0.01)
172:     vdw     (  0.130,   0.094,   0.037)  (  0.130,   0.094,   0.037)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       (-135.053, -156.995, -40.782)  (-134.971, -156.926, -40.765)  ( 0.06,  0.04,  0.04)
172:     bond    (-168.640, -135.476, -48.829)  (-168.564, -135.417, -48.824)  ( 0.04,  0.04,  0.01)
172:     angle   ( 33.577, -21.520,   8.093)  ( 33.584, -21.510,   8.096)  ( 0.02,  0.04,  0.04)
172:     torsion (  0.009,   0.001,  -0.046)  (  0.010,   0.001,  -0.037)  ( 0.00,  0.00,  0.04)
172:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       ( -0.629, -24.659,  -0.927)  ( -0.618, -24.639,  -0.924)  ( 0.65,  0.08,  0.29)
172:     bond    (-10.017, -15.265,  -3.131)  (-10.008, -15.245,  -3.131)  ( 0.08,  0.13,  0.02)
172:     angle   ( 13.893,  -9.812,   3.354)  ( 13.895,  -9.811,   3.354)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.007,  -0.001,   0.024)  ( -0.007,  -0.001,   0.027)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -3.372,   0.340,  -0.879)  ( -3.372,   0.340,  -0.879)  ( 0.00,  0.00,  0.00)
172:     electro ( -1.126,   0.078,  -0.295)  ( -1.126,   0.078,  -0.295)  ( 0.00,  0.00,  0.00)
172:  4       ( 10.334,  23.137,   3.434)  ( 10.342,  23.160,   3.437)  ( 0.08,  0.10,  0.08)
172:     bond    ( -6.152,  11.706,  -1.247)  ( -6.146,  11.728,  -1.247)  ( 0.10,  0.19,  0.02)
172:     angle   ( 19.924,  11.039,   5.614)  ( 19.926,  11.039,   5.614)  ( 0.01,  0.01,  0.00)
172:     torsion (  0.009,   0.001,  -0.036)  (  0.009,   0.001,  -0.033)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -2.908,  -0.086,  -0.770)  ( -2.908,  -0.086,  -0.770)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.539,   0.478,  -0.127)  ( -0.539,   0.478,  -0.127)  ( 0.00,  0.00,  0.00)
172:  5       (  2.550, -33.208,  -0.403)  (  2.558, -33.185,  -0.401)  ( 0.31,  0.07,  0.10)
172:     bond    ( 12.210, -24.825,   2.432)  ( 12.215, -24.802,   2.432)  ( 0.05,  0.09,  0.00)
172:     angle   (-14.826,  -7.709,  -4.160)  (-14.824,  -7.709,  -4.159)  ( 0.01,  0.01,  0.00)
172:     torsion (  0.004,   0.000,  -0.017)  (  0.004,   0.000,  -0.015)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.498,  -0.119,   0.920)  (  3.498,  -0.119,   0.920)  ( 0.00,  0.00,  0.00)
172:     electro (  1.664,  -0.556,   0.422)  (  1.664,  -0.556,   0.422)  ( 0.00,  0.00,  0.00)
172:  6       (117.977, 192.469,  37.516)  (118.027, 192.554,  37.534)  ( 0.04,  0.04,  0.05)
172:     bond    (128.247, 182.517,  39.697)  (128.287, 182.596,  39.700)  ( 0.03,  0.04,  0.01)
172:     angle   (-13.318,   9.894,  -3.023)  (-13.308,   9.900,  -3.010)  ( 0.08,  0.06,  0.43)
172:     torsion ( -0.009,  -0.001,   0.033)  ( -0.009,  -0.001,   0.035)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.057,   0.060,   0.809)  (  3.057,   0.060,   0.809)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       (-20.624, -15.019,  -6.028)  (-20.600, -14.975,  -6.022)  ( 0.12,  0.30,  0.10)
172:     bond    (-13.952, -19.555,  -4.305)  (-13.930, -19.511,  -4.303)  ( 0.16,  0.22,  0.05)
172:     angle   ( -6.267,   4.824,  -1.607)  ( -6.264,   4.826,  -1.603)  ( 0.04,  0.03,  0.25)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.406,  -0.289,  -0.116)  ( -0.406,  -0.289,  -0.116)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 4 # gradients 
172: ok 5 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       ( 19.613,  39.037, -65.938)  ( 19.662,  39.085, -65.888)  ( 0.25,  0.12,  0.07)
172:     bond    ( 35.363,   4.708,  -8.226)  ( 35.398,   4.745,  -8.190)  ( 0.10,  0.78,  0.44)
172:     angle   (-11.879,  31.622, -54.395)  (-11.867,  31.633, -54.382)  ( 0.10,  0.04,  0.02)
172:     torsion ( -0.001,   0.614,   0.357)  ( -0.001,   0.615,   0.357)  ( 0.00,  0.03,  0.01)
172:     vdw     ( -3.869,   2.093,  -3.674)  ( -3.868,   2.093,  -3.674)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       (119.205, -77.444, 130.932)  (119.268, -77.418, 130.999)  ( 0.05,  0.03,  0.05)
172:     bond    ( 91.119, -30.475,  52.665)  ( 91.170, -30.454,  52.724)  ( 0.06,  0.07,  0.11)
172:     angle   ( 28.099, -45.486,  79.118)  ( 28.111, -45.483,  79.125)  ( 0.04,  0.01,  0.01)
172:     torsion ( -0.013,  -1.484,  -0.850)  ( -0.013,  -1.481,  -0.849)  ( 0.00,  0.18,  0.08)
172:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       (-73.250, -10.850,  16.560)  (-73.232, -10.836,  16.599)  ( 0.02,  0.13,  0.24)
172:     bond    (-24.487, -24.043,  41.291)  (-24.473, -24.030,  41.330)  ( 0.06,  0.05,  0.09)
172:     angle   (-50.205,  12.814, -22.277)  (-50.201,  12.815, -22.276)  ( 0.01,  0.00,  0.00)
172:     torsion (  0.001,  -0.781,  -0.453)  (  0.001,  -0.780,  -0.453)  ( 0.00,  0.05,  0.01)
172:     vdw     (  0.738,   2.422,  -4.194)  (  0.738,   2.422,  -4.194)  ( 0.01,  0.00,  0.00)
172:     electro (  0.704,  -1.262,   2.192)  (  0.704,  -1.262,   2.192)  ( 0.00,  0.00,  0.00)
172:  4       ( 44.508,  37.050, -48.266)  ( 44.565,  37.070, -48.218)  ( 0.13,  0.05,  0.10)
172:     bond    (-23.001,  31.457, -52.235)  (-22.956,  31.470, -52.196)  ( 0.20,  0.04,  0.07)
172:     angle   ( 65.099,  -0.277,   0.177)  ( 65.110,  -0.275,   0.184)  ( 0.02,  0.07,  0.14)
172:     torsion (  0.043,   6.051,   3.476)  (  0.043,   6.055,   3.477)  ( 0.00,  0.07,  0.04)
172:     vdw     (  2.367,  -0.181,   0.316)  (  2.367,  -0.181,   0.316)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       ( -5.312,  28.754, -58.081)  ( -5.302,  28.761, -58.062)  ( 0.19,  0.03,  0.03)
172:     bond    ( 24.769,  25.591, -45.408)  ( 24.774,  25.597, -45.389)  ( 0.02,  0.02,  0.04)
172:     angle   (-37.301,   8.972, -15.298)  (-37.296,   8.972, -15.297)  ( 0.01,  0.00,  0.00)
172:     torsion ( -0.040,  -3.223,  -1.839)  ( -0.040,  -3.222,  -1.839)  ( 0.00,  0.04,  0.02)
172:     vdw     (  7.168,  -3.099,   5.355)  (  7.168,  -3.099,   5.355)  ( 0.00,  0.00,  0.00)
172:     electro (  0.092,   0.513,  -0.892)  (  0.092,   0.513,  -0.892)  ( 0.00,  0.00,  0.00)
172:  6       (-66.742,  -5.678,   5.781)  (-66.712,  -5.676,   5.785)  ( 0.04,  0.05,  0.08)
172:     bond    (-68.080,  -2.555,   3.484)  (-68.050,  -2.555,   3.485)  ( 0.04,  0.01,  0.01)
172:     angle   (  0.031,  -0.395,   0.321)  (  0.031,  -0.394,   0.324)  ( 0.00,  0.05,  0.12)
172:     torsion (  0.009,  -1.188,  -0.694)  (  0.009,  -1.187,  -0.694)  ( 0.00,  0.08,  0.02)
172:     vdw     (  2.093,  -2.289,   3.970)  (  2.093,  -2.289,   3.971)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.795,   0.749,  -1.300)  ( -0.795,   0.749,  -1.300)  ( 0.00,  0.00,  0.00)
172:  7       (-12.100, -37.172,   8.219)  (-12.095, -37.146,   8.223)  ( 0.04,  0.07,  0.05)
172:     bond    (-10.745, -36.692,   0.762)  (-10.743, -36.666,   0.762)  ( 0.02,  0.07,  0.01)
172:     angle   (  1.275,  -0.185,   9.111)  (  1.278,  -0.185,   9.115)  ( 0.24,  0.00,  0.05)
172:     torsion ( -0.001,   0.000,  -0.007)  ( -0.001,   0.000,  -0.007)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.629,  -0.295,  -1.648)  ( -2.629,  -0.295,  -1.648)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (-12.272,  11.176,  36.423)  (-12.267,  11.185,  36.444)  ( 0.04,  0.08,  0.06)
172:     bond    (-10.895,  17.429,  32.321)  (-10.893,  17.434,  32.341)  ( 0.02,  0.03,  0.06)
172:     angle   (  1.384,  -7.884,   4.714)  (  1.387,  -7.880,   4.715)  ( 0.22,  0.04,  0.03)
172:     torsion (  0.001,  -0.006,   0.003)  (  0.001,  -0.006,   0.003)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.762,   1.636,  -0.616)  ( -2.762,   1.636,  -0.616)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  9       (-13.893,  14.965, -25.900)  (-13.885,  14.974, -25.882)  ( 0.06,  0.06,  0.07)
172:     bond    (-14.232,  14.453, -24.883)  (-14.227,  14.458, -24.866)  ( 0.04,  0.04,  0.07)
172:     angle   (  3.445,   0.795,  -1.510)  (  3.448,   0.798,  -1.509)  ( 0.08,  0.26,  0.10)
172:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -3.106,  -0.288,   0.489)  ( -3.106,  -0.288,   0.489)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 6 # gradients 
172: ok 7 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (-25.630, -28.431,  14.154)  (-25.582, -28.381,  14.202)  ( 0.19,  0.18,  0.34)
172:     bond    (-19.895,   7.377, -11.925)  (-19.860,   7.414, -11.888)  ( 0.17,  0.50,  0.30)
172:     angle   (-14.896, -48.982,   7.455)  (-14.883, -48.968,   7.466)  ( 0.08,  0.03,  0.15)
172:     torsion ( -5.124,   7.031,  17.238)  ( -5.124,   7.031,  17.239)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 14.285,   6.143,   1.385)  ( 14.285,   6.143,   1.385)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       (-128.910, 113.784, -158.185)  (-128.872, 113.809, -158.176)  ( 0.03,  0.02,  0.01)
172:     bond    (-121.810, -58.450, -11.109)  (-121.773, -58.436, -11.104)  ( 0.03,  0.02,  0.05)
172:     angle   (-22.250, 193.608, -95.414)  (-22.250, 193.620, -95.412)  ( 0.00,  0.01,  0.00)
172:     torsion ( 15.151, -21.375, -51.661)  ( 15.151, -21.375, -51.660)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       ( 25.701, -34.004, -11.496)  ( 25.706, -33.978, -11.492)  ( 0.02,  0.08,  0.04)
172:     bond    ( -1.395, -30.167,  -5.745)  ( -1.395, -30.140,  -5.745)  ( 0.01,  0.09,  0.01)
172:     angle   (-26.840,   0.424,   4.286)  (-26.837,   0.424,   4.289)  ( 0.01,  0.01,  0.09)
172:     torsion (  8.044,   1.903, -11.939)  (  8.044,   1.903, -11.939)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 45.892,  -6.165,   1.903)  ( 45.893,  -6.165,   1.903)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       ( 29.422,  24.486,   0.356)  ( 29.443,  24.493,   0.363)  ( 0.07,  0.03,  0.25)
172:     bond    ( 29.102,  11.932, -12.746)  ( 29.123,  11.935, -12.742)  ( 0.07,  0.03,  0.03)
172:     angle   (  0.008,   2.865,   2.705)  (  0.009,   2.868,   2.708)  ( 0.00,  0.12,  0.12)
172:     torsion (  0.559,   9.747,  10.407)  (  0.559,   9.747,  10.407)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.248,  -0.058,  -0.010)  ( -0.248,  -0.058,  -0.010)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-14.201, -18.014,  39.388)  (-14.197, -18.010,  39.416)  ( 0.02,  0.02,  0.07)
172:     bond    ( -0.398,   5.832,  34.590)  ( -0.398,   5.833,  34.617)  ( 0.01,  0.01,  0.08)
172:     angle   ( -6.363, -12.617,   2.052)  ( -6.359, -12.613,   2.052)  ( 0.05,  0.03,  0.01)
172:     torsion ( -8.696, -11.525,   1.842)  ( -8.696, -11.525,   1.842)  ( 0.00,  0.00,  0.00)
172:     vdw     (  1.256,   0.295,   0.904)  (  1.256,   0.295,   0.904)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (189.902, -122.303, 155.949)  (189.974, -122.252, 155.970)  ( 0.04,  0.04,  0.01)
172:     bond    (103.167,  13.570,  25.866)  (103.234,  13.611,  25.884)  ( 0.06,  0.30,  0.07)
172:     angle   (105.259, -154.157,  97.805)  (105.264, -154.146,  97.807)  ( 0.00,  0.01,  0.00)
172:     torsion (-10.098,  14.460,  34.616)  (-10.098,  14.460,  34.618)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -8.426,   3.824,  -2.338)  ( -8.426,   3.824,  -2.338)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       ( 28.297,  20.835,   1.996)  ( 28.342,  20.848,   2.008)  ( 0.16,  0.06,  0.60)
172:     bond    ( 12.873,  -5.976,   6.570)  ( 12.917,  -5.967,   6.582)  ( 0.34,  0.16,  0.18)
172:     angle   ( 15.468,  26.087,  -6.706)  ( 15.469,  26.090,  -6.706)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.587,   0.850,   1.922)  ( -0.587,   0.850,   1.922)  ( 0.00,  0.01,  0.02)
172:     vdw     (  0.543,  -0.126,   0.210)  (  0.543,  -0.126,   0.210)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (-104.818,  43.447, -42.297)  (-104.813,  43.471, -42.291)  ( 0.00,  0.06,  0.01)
172:     bond    ( -1.848,  55.726, -25.609)  ( -1.848,  55.750, -25.603)  ( 0.02,  0.04,  0.02)
172:     angle   (-50.415,  -7.276, -12.204)  (-50.413,  -7.275, -12.204)  ( 0.00,  0.00,  0.00)
172:     torsion (  0.751,  -1.091,  -2.429)  (  0.751,  -1.091,  -2.429)  ( 0.00,  0.01,  0.01)
172:     vdw     (-53.305,  -3.913,  -2.055)  (-53.304,  -3.913,  -2.055)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 8 # gradients 
172: ok 9 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (105.440, -149.985, 260.331)  (105.486, -149.942, 260.360)  ( 0.04,  0.03,  0.01)
172:     bond    (105.838, -149.765, 260.004)  (105.879, -149.728, 260.027)  ( 0.04,  0.02,  0.01)
172:     angle   ( -0.389,  -0.217,   0.334)  ( -0.384,  -0.211,   0.340)  ( 0.21,  0.12,  0.21)
172:     torsion ( -0.009,  -0.003,  -0.007)  ( -0.009,  -0.003,  -0.007)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       (-90.439,   1.612,  -3.158)  (-90.384,   1.663,  -3.108)  ( 0.06,  3.15,  1.59)
172:     bond    (-96.521,  -0.000,   0.010)  (-96.477,   0.040,   0.049)  ( 0.05,  0.00,  0.04)
172:     angle   (  0.198,  -0.177,  -0.044)  (  0.210,  -0.166,  -0.033)  ( 0.22,  0.20,  0.05)
172:     torsion ( -0.000,   0.004,  -0.001)  (  0.000,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
172:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       ( 17.766,  85.074,  -3.307)  ( 17.818,  85.129,  -3.256)  ( 0.29,  0.06,  1.52)
172:     bond    ( 31.918,  90.924,  -0.196)  ( 31.958,  90.967,  -0.157)  ( 0.13,  0.05,  0.78)
172:     angle   ( -0.248,  -0.340,  -0.003)  ( -0.237,  -0.328,   0.008)  ( 0.28,  0.38,  0.00)
172:     torsion (  0.004,  -0.001,   0.009)  (  0.004,  -0.001,   0.009)  ( 0.00,  0.00,  0.00)
172:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       ( 17.700, -39.682, -75.828)  ( 17.751, -39.631, -75.775)  ( 0.29,  0.13,  0.07)
172:     bond    ( 32.121, -45.510, -79.026)  ( 32.161, -45.470, -78.984)  ( 0.12,  0.09,  0.05)
172:     angle   ( -0.358,   0.352,  -0.032)  ( -0.347,   0.363,  -0.021)  ( 0.40,  0.38,  0.03)
172:     torsion ( -0.001,   0.004,  -0.002)  ( -0.001,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
172:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.116)  ( 0.02,  0.01,  0.05)
172:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
172:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
172:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (-74.306, -104.570, 181.478)  (-74.299, -104.561, 181.498)  ( 0.01,  0.01,  0.01)
172:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
172:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       (-43.647, -109.104, -189.246)  (-43.639, -109.094, -189.226)  ( 0.02,  0.01,  0.01)
172:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
172:     torsion ( -0.000,  -0.003,   0.002)  (  0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.12)
172:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
172:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
172:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
172:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
172:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 10       (-82.262,  92.018, -179.835)  (-82.254,  92.027, -179.815)  ( 0.01,  0.01,  0.01)
172:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
172:     torsion (  0.003,  -0.001,  -0.002)  (  0.003,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       (221.224,   6.299,   3.345)  (221.252,   6.304,   3.350)  ( 0.01,  0.08,  0.13)
172:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
172:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
172:     torsion ( -0.000,   0.003,  -0.002)  ( -0.000,   0.003,  -0.002)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (-82.670, 109.687, -169.760)  (-82.663, 109.697, -169.740)  ( 0.01,  0.01,  0.01)
172:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
172:     torsion ( -0.004,  -0.003,   0.000)  ( -0.004,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       (-82.957, -203.268,   2.436)  (-82.949, -203.243,   2.441)  ( 0.01,  0.01,  0.17)
172:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
172:     torsion (  0.006,  -0.002,   0.004)  (  0.006,  -0.002,   0.004)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 10 # gradients 
172: ok 11 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (-352.758, 498.355, -863.403)  (-352.737, 498.374, -863.393)  ( 0.01,  0.00,  0.00)
172:     bond    (-352.351, 498.577, -863.775)  (-352.336, 498.590, -863.772)  ( 0.00,  0.00,  0.00)
172:     angle   ( -0.390,  -0.216,   0.386)  ( -0.384,  -0.210,   0.392)  ( 0.22,  0.13,  0.25)
172:     torsion ( -0.018,  -0.006,  -0.014)  ( -0.017,  -0.006,  -0.013)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       (1285.827,   1.609,  -3.175)  (1285.867,   1.655,  -3.129)  ( 0.00,  2.87,  1.44)
172:     bond    (1279.745,   0.004,   0.014)  (1279.774,   0.040,   0.049)  ( 0.00,  0.02,  0.05)
172:     angle   (  0.198,  -0.189,  -0.064)  (  0.210,  -0.178,  -0.053)  ( 0.22,  0.21,  0.07)
172:     torsion ( -0.000,   0.008,  -0.003)  (  0.000,   0.008,  -0.003)  ( 0.00,  0.00,  0.00)
172:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       (-441.622, -1212.197,  -3.313)  (-441.575, -1212.156,  -3.266)  ( 0.01,  0.00,  1.39)
172:     bond    (-427.484, -1206.342,  -0.192)  (-427.450, -1206.312,  -0.157)  ( 0.01,  0.00,  0.67)
172:     angle   ( -0.237,  -0.343,  -0.023)  ( -0.226,  -0.332,  -0.012)  ( 0.27,  0.39,  0.02)
172:     torsion (  0.008,  -0.003,   0.019)  (  0.008,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
172:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (-440.935, 609.305, 1047.967)  (-440.889, 609.350, 1048.009)  ( 0.01,  0.01,  0.00)
172:     bond    (-426.503, 603.459, 1044.784)  (-426.468, 603.492, 1044.815)  ( 0.01,  0.01,  0.00)
172:     angle   ( -0.369,   0.367,  -0.045)  ( -0.358,   0.378,  -0.034)  ( 0.42,  0.40,  0.05)
172:     torsion ( -0.002,   0.007,  -0.005)  ( -0.001,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
172:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.115)  ( 0.02,  0.01,  0.05)
172:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
172:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
172:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (-74.306, -104.569, 181.479)  (-74.299, -104.559, 181.499)  ( 0.01,  0.01,  0.01)
172:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
172:     torsion ( -0.000,   0.003,   0.002)  (  0.000,   0.003,   0.002)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       (-43.647, -109.106, -189.244)  (-43.639, -109.096, -189.224)  ( 0.02,  0.01,  0.01)
172:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
172:     torsion ( -0.000,  -0.005,   0.003)  (  0.000,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.13)
172:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
172:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
172:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
172:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
172:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 10       (-82.259,  92.017, -179.837)  (-82.251,  92.026, -179.817)  ( 0.01,  0.01,  0.01)
172:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
172:     torsion (  0.006,  -0.002,  -0.003)  (  0.006,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       (221.224,   6.302,   3.343)  (221.252,   6.307,   3.348)  ( 0.01,  0.08,  0.13)
172:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
172:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
173: # Testing MMFF94 Force Field...
173: ok 1 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : 
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
173:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
173:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
173:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
173:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
173:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
173:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
173:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
173:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
173:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
173:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
173:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
173:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
173:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
173:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
173:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
173:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
173:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
173:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
173:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
173:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
173:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
173:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
173:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
173:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
173:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
173:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
173:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
173:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
173:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
173:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
173:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
173:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
173:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
173:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
173:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
173:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
173:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
173:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
173:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
173:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
173:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
173:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
173:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
173:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
173:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
173:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
173:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
173:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
173:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
173:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
173:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
173:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
173:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
173:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
173:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
173: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
173:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
173:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
173:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
173:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
173:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
173: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
173:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
173:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
173:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
173:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
173:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
173:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
173: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
174: # Testing MMFF94 Force Field...
174: ok 1 # energy 
174: ----------------------------------------------------------------------------------------
174:                                                                                         
174:   VALIDATE GRADIENTS : cudpas.xyz
174:                                                                                         
174:                                                                                         
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
174:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
174:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
174:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
174:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
174:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
174:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
174:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
174:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
174:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
174:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
174:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
174:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
174:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
174:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
174:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
174:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
174:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
174:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
174:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
174:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
174:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
174:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
174:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
174:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
174:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
174:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
174:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
174:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
174:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
174:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
174:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
174:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
174:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
174:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
174:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
174:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
174:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
174:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
174:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
174:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
174:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
174:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
174:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
174:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
174:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
174:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
174:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
174:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
174:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
174:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
174:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
174:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
174:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
174:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
174:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
174:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
174:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
174:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
174:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
174:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
174:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
174:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
174:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
174:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
174: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
174:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
174:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
174:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
174:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
174: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
174:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
174:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
174:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
174:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
174:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
174:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
174:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
174: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
174:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
174:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
174:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
174:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
174:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
174:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
174: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
174:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
174:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
174:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
174:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
174:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
174:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
174: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
174:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
174:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
174:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
174:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
174:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
174: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
174:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
174:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
174:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
174:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
174:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
174:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
174:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
174: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
174:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
174:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
174:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
174:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
174:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
174: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
174:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
174:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
174:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
174:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
174:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
174: ok 2 # gradients 
174: ok 3 # energy 
174: ----------------------------------------------------------------------------------------
174:                                                                                         
174:   VALIDATE GRADIENTS : fadvub.xyz
174:                                                                                         
174:                                                                                         
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
174:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
174:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
174:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
174:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
174:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
174:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
174:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
174:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
174:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
174:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
174:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
174:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
174:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
174:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
174:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
174:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
174:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
174:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
174:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
174:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
174:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
174:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
174:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
174:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
174:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
174:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
174:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
174:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
174:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
174:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
174:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
174:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
174:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
174:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
174:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
174:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
174:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
174:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
174:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
174:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
174:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
174:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
174:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
174:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
174:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
174:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
174:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
174:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
174:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
174:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
174: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
174:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
174:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
174:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
174:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
174:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
174:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
174: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
174:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
174:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
174:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
174:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
174:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
174:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
174: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
174:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
174:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
174:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
174:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
174: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
174:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
174:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
174:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
174:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
174:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
174:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
174:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
174:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
174:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
174:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
174:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
174:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
174:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
174:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
174:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
174:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
174:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
174:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
174:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
174:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
174:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
174:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
174:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
174:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
174:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
174:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
174: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
174:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
174:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
174:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
174:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
174: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
174:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
175: # Testing MMFF94 Force Field...
175: ok 1 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : 
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
175:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
175:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
175:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
175:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
175:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
175:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
175:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
175:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
175:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
175:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
175:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
175:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
175:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
175:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
175:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
175:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
175:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
175:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
175:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
175:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
175:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
175:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
175:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
175:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
175:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
175:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
175:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
175:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
175:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
175:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
175:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
175:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
175:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
175:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
175:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
175:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
175:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
175:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
175:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
175:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
175:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
175:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
175:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
175:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
175:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
175:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
175:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
175:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
175:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
175: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
175:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
175:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
175:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
175:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
175:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
175: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
175:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
175:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
175:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
175:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
175:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
175:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
175: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
176: # Testing MMFF94 Force Field...
176: ok 1 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : cudpas.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
176:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
176:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
176:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
176:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
176:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
176:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
176:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
176:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
176:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
176:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
176:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
176:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
176:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
176:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
176:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
176:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
176:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
176:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
176:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
176:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
176:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
176:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
176:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
176:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
176:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
176:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
176:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
176:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
176:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
176:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
176:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
176:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
176:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
176:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
176:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
176:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
176:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
176:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
176:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
176:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
176:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
176:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
176:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
176:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
176:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
176:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
176:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
176:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
176:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
176:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
176:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
176:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
176:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
176:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
176:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
176:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
176:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
176:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
176:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
176:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
176:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
176:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
176:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
176:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
176:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
176: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
176:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
176:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
176:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
176:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
176:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
176:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
176:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
176: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
176:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
176:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
176:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
176:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
176:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
176: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
176:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
176:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
176:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
176:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
176:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
176: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
176:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
176:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
176:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
176:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
176:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
176: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
176:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
176:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
176:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
176:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
176:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
176:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
176:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
176:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
176:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
176:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
176:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
176:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
176:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
176: ok 2 # gradients 
176: ok 3 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : fadvub.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
176:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
176:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
176:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
176:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
176:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
176:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
176:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
176:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
176:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
176:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
176:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
176:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
176:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
176:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
176:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
176:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
176:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
176:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
176:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
176:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
176:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
176:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
176:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
176:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
176:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
176:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
176:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
176:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
176:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
176:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
177: # Testing MMFF94 Force Field...
178: # Testing MMFF94 Force Field...
178: ==============================
178: *** Open Babel Error  in SafeOpen
178:   Unable to open file '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/more-mmff94e4sresults.txt' in read mode
178: Bail out! Cannot read file /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/more-mmff94e4sresults.txt
179: # Testing UFF Force Field...
179: ok 1 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
179:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
179:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
179:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
179:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
179:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
179:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
179:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
179:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
179:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
179:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
179:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
179:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
179:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
179:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
179:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
179:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
179:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
179:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
179:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
179:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
179:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
179:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
179:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
179:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
179:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
179:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
179:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
179:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
179:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
179:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
179:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
179:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
179:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
179:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
179:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
179:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
179:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
179:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
179:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
179:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
179:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
179:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
179:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
179:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
179:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
179:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
179:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
179:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
179:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
179:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
179:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
179:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
179:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
179:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
179:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
179:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
179:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
179:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
179:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
179:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
179:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
179:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
179:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
179:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
179:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
179:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
179:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
179:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
179:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
179:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
179:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
179:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
179:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
179:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
179:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
179:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
179:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
179:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pw7_rab.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pwh_plv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pwl_bfi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pwp_nsc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pwu_gm6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1py2_frh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1py5_py1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pye_pm1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pyn_941.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzi_1dm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzj_15b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzj_j15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzk_j12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzo_cbt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzp_fta.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q0r_akt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q0z_aka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q11_tye.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q1m_234.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q20_plo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q22_and.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q2q_wy2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q36_skp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q3w_atu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q4g_bfl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q4l_679.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q4w_dqu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q54_bhi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q5d_epb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q5h_dud.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q65_bhb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q66_kmb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6j_335.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6k_tco.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6m_p27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6n_p90.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6p_213.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6q_lxp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6r_lx1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6s_214.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q7a_opb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q7g_nho.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q91_dpb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q92_drm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q9d_oi1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qax_hmg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qb1_974.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qb6_623.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qb9_806.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qbn_688.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qbo_711.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qbt_146.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qbu_846.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qca_fua.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qcf_pp1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qco_aae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qcw_fns.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qf0_ti2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qf2_ti3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qf4_rpd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qf5_rpl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qgl_ejt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qh5_gbp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qhc_pua.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qhi_bpg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qin_gip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qip_gnb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qiq_acc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qiz_rco.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qje_ip1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qjf_acs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qjq_pfc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qju_w01.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qjx_w02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qjy_w03.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qkc_alb.sdf
161/219 Test #161: test_aromatest_1 .................   Passed    5.02 sec
test 193
        Start 193: test_pdbreadfile_1
193: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "1"
193: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
193: Environment variables: 
193:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
193:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
193: Test timeout computed to be: 6000
167: ok 113 # number of heavy atoms match
167: ok 114 # number of heavy atoms match
167: ok 115 # number of heavy atoms match
167: ok 116 # number of heavy atoms match
167: ok 117 # number of heavy atoms match
167: ok 118 # number of heavy atoms match
167: ok 119 # number of heavy atoms match
167: ok 120 # number of heavy atoms match
167: ok 121 # number of heavy atoms match
167: ok 122 # number of heavy atoms match
167: ok 123 # number of heavy atoms match
167: ok 124 # number of heavy atoms match
167: ok 125 # number of heavy atoms match
167: ok 126 # number of heavy atoms match
167: ok 127 # number of heavy atoms match
167: ok 128 # number of heavy atoms match
167: ok 129 # number of heavy atoms match
167: ok 130 # number of heavy atoms match
167: ok 131 # number of heavy atoms match
167: ok 132 # number of heavy atoms match
167: ok 133 # number of heavy atoms match
167: ok 134 # number of heavy atoms match
167: ok 135 # number of heavy atoms match
167: ok 136 # number of heavy atoms match
167: ok 137 # number of heavy atoms match
167: ok 138 # number of heavy atoms match
167: ok 139 # number of heavy atoms match
167: ok 140 # number of heavy atoms match
167: ok 141 # number of heavy atoms match
167: ok 142 # number of heavy atoms match
167: ok 143 # number of heavy atoms match
167: ok 144 # number of heavy atoms match
167: ok 145 # number of heavy atoms match
167: ok 146 # number of heavy atoms match
167: ok 147 # number of heavy atoms match
167: ok 148 # number of heavy atoms match
167: ok 149 # number of heavy atoms match
167: ok 150 # number of heavy atoms match
167: ok 151 # number of heavy atoms match
167: ok 152 # number of heavy atoms match
167: ok 153 # number of heavy atoms match
167: ok 154 # number of heavy atoms match
167: ok 155 # number of heavy atoms match
167: ok 156 # number of heavy atoms match
167: ok 157 # number of heavy atoms match
167: ok 158 # number of heavy atoms match
167: ok 159 # number of heavy atoms match
167: ok 160 # number of heavy atoms match
167: ok 161 # number of heavy atoms match
167: ok 162 # number of heavy atoms match
167: ok 163 # number of heavy atoms match
167: ok 164 # number of heavy atoms match
167: ok 165 # number of heavy atoms match
167: ok 166 # number of heavy atoms match
167: ok 167 # number of heavy atoms match
167: ok 168 # number of heavy atoms match
167: ok 169 # number of heavy atoms match
167: ok 170 # number of heavy atoms match
167: ok 171 # number of heavy atoms match
167: ok 172 # number of heavy atoms match
167: ok 173 # number of heavy atoms match
167: ok 174 # number of heavy atoms match
167: ok 175 # number of heavy atoms match
167: ok 176 # number of heavy atoms match
167: ok 177 # number of heavy atoms match
167: ok 178 # number of heavy atoms match
167: ok 179 # number of heavy atoms match
167: ok 180 # number of heavy atoms match
167: ok 181 # number of heavy atoms match
167: ok 182 # number of heavy atoms match
167: ok 183 # number of heavy atoms match
167: ok 184 # number of heavy atoms match
167: ok 185 # number of heavy atoms match
167: ok 186 # number of heavy atoms match
167: ok 187 # number of heavy atoms match
167: ok 188 # number of heavy atoms match
167: ok 189 # number of heavy atoms match
167: ok 190 # number of heavy atoms match
167: ok 191 # number of heavy atoms match
167: ok 192 # number of heavy atoms match
167: ok 193 # number of heavy atoms match
167: ok 194 # number of heavy atoms match
167: ok 195 # number of heavy atoms match
167: ok 196 # number of heavy atoms match
167: ok 197 # number of heavy atoms match
167: ok 198 # number of heavy atoms match
167: ok 199 # number of heavy atoms match
167: ok 200 # number of heavy atoms match
167: ok 201 # number of heavy atoms match
167: ok 202 # number of heavy atoms match
167: ok 203 # number of heavy atoms match
167: ok 204 # number of heavy atoms match
167: ok 205 # number of heavy atoms match
167: ok 206 # number of heavy atoms match
167: ok 207 # number of heavy atoms match
167: ok 208 # number of heavy atoms match
167: ok 209 # number of heavy atoms match
167: ok 210 # number of heavy atoms match
167: ok 211 # number of heavy atoms match
167: ok 212 # number of heavy atoms match
167: ok 213 # number of heavy atoms match
167: ok 214 # number of heavy atoms match
167: ok 215 # number of heavy atoms match
167: ok 216 # number of heavy atoms match
167: ok 217 # number of heavy atoms match
167: ok 218 # number of heavy atoms match
167: ok 219 # number of heavy atoms match
167: ok 220 # number of heavy atoms match
167: ok 221 # number of heavy atoms match
167: ok 222 # number of heavy atoms match
167: ok 223 # number of heavy atoms match
167: ok 224 # number of heavy atoms match
167: ok 225 # number of heavy atoms match
167: ok 226 # number of heavy atoms match
167: ok 227 # number of heavy atoms match
167: ok 228 # number of heavy atoms match
167: ok 229 # number of heavy atoms match
167: ok 230 # number of heavy atoms match
167: ok 231 # number of heavy atoms match
167: ok 232 # number of heavy atoms match
167: ok 233 # number of heavy atoms match
167: ok 234 # number of heavy atoms match
167: ok 235 # number of heavy atoms match
167: ok 236 # number of heavy atoms match
167: ok 237 # number of heavy atoms match
167: ok 238 # number of heavy atoms match
167: ok 239 # number of heavy atoms match
167: ok 240 # number of heavy atoms match
167: ok 241 # number of heavy atoms match
167: ok 242 # number of heavy atoms match
167: ok 243 # number of heavy atoms match
167: ok 244 # number of heavy atoms match
167: ok 245 # number of heavy atoms match
167: ok 246 # number of heavy atoms match
167: ok 247 # number of heavy atoms match
167: ok 248 # number of heavy atoms match
167: ok 249 # number of heavy atoms match
167: ok 250 # number of heavy atoms match
167: ok 251 # number of heavy atoms match
167: ok 252 # number of heavy atoms match
167: ok 253 # number of heavy atoms match
167: ok 254 # number of heavy atoms match
167: ok 255 # number of heavy atoms match
167: ok 256 # number of heavy atoms match
167: ok 257 # number of heavy atoms match
167: ok 258 # number of heavy atoms match
167: ok 259 # number of heavy atoms match
167: ok 260 # number of heavy atoms match
167: ok 261 # number of heavy atoms match
167: ok 262 # number of heavy atoms match
167: ok 263 # number of heavy atoms match
167: ok 264 # number of heavy atoms match
167: ok 265 # number of heavy atoms match
167: ok 266 # number of heavy atoms match
167: ok 267 # number of heavy atoms match
167: ok 268 # number of heavy atoms match
167: ok 269 # number of heavy atoms match
167: ok 270 # number of heavy atoms match
167: ok 271 # number of heavy atoms match
167: ok 272 # number of heavy atoms match
167: ok 273 # number of heavy atoms match
167: ok 274 # number of heavy atoms match
167: ok 275 # number of heavy atoms match
167: ok 276 # number of heavy atoms match
167: ok 277 # number of heavy atoms match
167: ok 278 # number of heavy atoms match
167: ok 279 # number of heavy atoms match
167: ok 280 # number of heavy atoms match
167: ok 281 # number of heavy atoms match
167: ok 282 # number of heavy atoms match
167: ok 283 # number of heavy atoms match
167: ok 284 # number of heavy atoms match
167: ok 285 # number of heavy atoms match
167: ok 286 # number of heavy atoms match
167: ok 287 # number of heavy atoms match
167: ok 288 # number of heavy atoms match
167: ok 289 # number of heavy atoms match
167: ok 290 # number of heavy atoms match
167: ok 291 # number of heavy atoms match
167: ok 292 # number of heavy atoms match
167: ok 293 # number of heavy atoms match
167: ok 294 # number of heavy atoms match
167: ok 295 # number of heavy atoms match
167: ok 296 # number of heavy atoms match
167: ok 297 # number of heavy atoms match
167: ok 298 # number of heavy atoms match
167: ok 299 # number of heavy atoms match
167: ok 300 # number of heavy atoms match
167: ok 301 # number of heavy atoms match
167: ok 302 # number of heavy atoms match
167: ok 303 # number of heavy atoms match
167: ok 304 # number of heavy atoms match
167: ok 305 # number of heavy atoms match
167: ok 306 # number of heavy atoms match
167: ok 307 # number of heavy atoms match
167: ok 308 # number of heavy atoms match
167: ok 309 # number of heavy atoms match
167: ok 310 # number of heavy atoms match
167: ok 311 # number of heavy atoms match
167: ok 312 # number of heavy atoms match
167: ok 313 # number of heavy atoms match
167: ok 314 # number of heavy atoms match
167: ok 315 # number of heavy atoms match
167: ok 316 # number of heavy atoms match
167: ok 317 # number of heavy atoms match
167: ok 318 # number of heavy atoms match
167: ok 319 # number of heavy atoms match
167: ok 320 # number of heavy atoms match
167: ok 321 # number of heavy atoms match
167: ok 322 # number of heavy atoms match
167: ok 323 # number of heavy atoms match
167: ok 324 # number of heavy atoms match
167: ok 325 # number of heavy atoms match
167: ok 326 # number of heavy atoms match
167: ok 327 # number of heavy atoms match
167: ok 328 # number of heavy atoms match
167: ok 329 # number of heavy atoms match
167: ok 330 # number of heavy atoms match
167: ok 331 # number of heavy atoms match
167: ok 332 # number of heavy atoms match
167: ok 333 # number of heavy atoms match
167: ok 334 # number of heavy atoms match
167: ok 335 # number of heavy atoms match
167: ok 336 # number of heavy atoms match
167: ok 337 # number of heavy atoms match
167: ok 338 # number of heavy atoms match
167: ok 339 # number of heavy atoms match
167: ok 340 # number of heavy atoms match
167: ok 341 # number of heavy atoms match
167: ok 342 # number of heavy atoms match
167: ok 343 # number of heavy atoms match
167: ok 344 # number of heavy atoms match
167: ok 345 # number of heavy atoms match
167: ok 346 # number of heavy atoms match
167: ok 347 # number of heavy atoms match
167: ok 348 # number of heavy atoms match
167: ok 349 # number of heavy atoms match
167: ok 350 # number of heavy atoms match
167: ok 351 # number of heavy atoms match
167: ok 352 # number of heavy atoms match
167: ok 353 # number of heavy atoms match
167: ok 354 # number of heavy atoms match
167: ok 355 # number of heavy atoms match
167: ok 356 # number of heavy atoms match
167: ok 357 # number of heavy atoms match
167: ok 358 # number of heavy atoms match
167: ok 359 # number of heavy atoms match
167: ok 360 # number of heavy atoms match
167: ok 361 # number of heavy atoms match
167: ok 362 # number of heavy atoms match
167: ok 363 # number of heavy atoms match
167: ok 364 # number of heavy atoms match
167: ok 365 # number of heavy atoms match
167: ok 366 # number of heavy atoms match
167: ok 367 # number of heavy atoms match
167: ok 368 # number of heavy atoms match
167: ok 369 # number of heavy atoms match
167: ok 370 # number of heavy atoms match
167: ok 371 # number of heavy atoms match
167: ok 372 # number of heavy atoms match
167: ok 373 # number of heavy atoms match
167: ok 374 # number of heavy atoms match
167: ok 375 # number of heavy atoms match
167: ok 376 # number of heavy atoms match
167: ok 377 # number of heavy atoms match
167: ok 378 # number of heavy atoms match
167: ok 379 # number of heavy atoms match
167: ok 380 # number of heavy atoms match
167: ok 381 # number of heavy atoms match
167: ok 382 # number of heavy atoms match
167: ok 383 # number of heavy atoms match
167: ok 384 # number of heavy atoms match
167: ok 385 # number of heavy atoms match
167: ok 386 # number of heavy atoms match
167: ok 387 # number of heavy atoms match
167: ok 388 # number of heavy atoms match
167: ok 389 # number of heavy atoms match
167: ok 390 # number of heavy atoms match
167: ok 391 # number of heavy atoms match
167: ok 392 # number of heavy atoms match
167: ok 393 # number of heavy atoms match
167: ok 394 # number of heavy atoms match
167: ok 395 # number of heavy atoms match
167: ok 396 # number of heavy atoms match
167: ok 397 # number of heavy atoms match
167: ok 398 # number of heavy atoms match
167: ok 399 # number of heavy atoms match
167: ok 400 # number of heavy atoms match
167: ok 401 # number of heavy atoms match
167: ok 402 # number of heavy atoms match
167: ok 403 # number of heavy atoms match
167: ok 404 # number of heavy atoms match
167: ok 405 # number of heavy atoms match
167: ok 406 # number of heavy atoms match
167: ok 407 # number of heavy atoms match
167: ok 408 # number of heavy atoms match
167: ok 409 # number of heavy atoms match
167: ok 410 # number of heavy atoms match
167: ok 411 # number of heavy atoms match
167: ok 412 # number of heavy atoms match
167: ok 413 # number of heavy atoms match
167: ok 414 # number of heavy atoms match
167: ok 415 # number of heavy atoms match
167: ok 416 # number of heavy atoms match
167: ok 417 # number of heavy atoms match
167: ok 418 # number of heavy atoms match
167: ok 419 # number of heavy atoms match
167: ok 420 # number of heavy atoms match
167: ok 421 # number of heavy atoms match
167: ok 422 # number of heavy atoms match
167: ok 423 # number of heavy atoms match
167: ok 424 # number of heavy atoms match
167: ok 425 # number of heavy atoms match
167: ok 426 # number of heavy atoms match
167: ok 427 # number of heavy atoms match
167: ok 428 # number of heavy atoms match
167: ok 429 # number of heavy atoms match
167: ok 430 # number of heavy atoms match
167: ok 431 # number of heavy atoms match
167: ok 432 # number of heavy atoms match
167: ok 433 # number of heavy atoms match
167: ok 434 # number of heavy atoms match
167: ok 435 # number of heavy atoms match
167: ok 436 # number of heavy atoms match
167: ok 437 # number of heavy atoms match
167: ok 438 # number of heavy atoms match
167: ok 439 # number of heavy atoms match
167: ok 440 # number of heavy atoms match
167: ok 441 # number of heavy atoms match
167: ok 442 # number of heavy atoms match
167: ok 443 # number of heavy atoms match
167: ok 444 # number of heavy atoms match
171: ok 1 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
171:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
171:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
171:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
171:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
171:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
171:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
171:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
171:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
171:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
171:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
171:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
171:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
171:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
171:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
171:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
171:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
171:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
171:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
171:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
171:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
171:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
171:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
171:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
171:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
171:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
171:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
171:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
171:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
171:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
171:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
171:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
171:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
171:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
171:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
171:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
171:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
171:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
171:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
171:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
171:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
171:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
171:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
171:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
171:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
171:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
171:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
171:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
171:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
171:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
171:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
171:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
171: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
171:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
171:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
171:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
171:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
171: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
171:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
171:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
171:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
171:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
171:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
171: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
171:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
171:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
171:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
171:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
171: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
171:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
171:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
171:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
171:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
171:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
171: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
171:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
171:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
171:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
171:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
171:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
171: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
171:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
171:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
171:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
171:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
171:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
171: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
171:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
171:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
171:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
171:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
171:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
171: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
171:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
171:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
171:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
171:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
171:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
171: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
171:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
171:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
171:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
171:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
171: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
171:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
171:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
171:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
171: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
171:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
171:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
171:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
171: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
171:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
171:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
171:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
171: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
171:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
171:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
171:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
171:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
171: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
171:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
171:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
171:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
171: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
171:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
171:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
171:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
171:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
171: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
171:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
171:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
171:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
171:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
171: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
171:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
171:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
171:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
171:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
171: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
171:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
171:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
171:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
171:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
171: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
171:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
171:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
171:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
171:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
171: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
171:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
171:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
171: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
171:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
171:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
171: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
171:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
171:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
171: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
171:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
171:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
171:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
171: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
171:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
171:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
171:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
171: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
171:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
171:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
171:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
171: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
171:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
171:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
171:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
171:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
171: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
171:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
171:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
171:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
171:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
171: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
171:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
171:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
171:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
171:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
171: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
171:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
171:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
171:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
171:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
171: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
171:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
171:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
171:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
171:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
171: ok 2 # gradients 
171: ok 3 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       ( -2.416,   1.336,  -0.580)  ( -2.381,   1.366,  -0.572)  ( 1.47,  2.25,  0.45)
171:     bond    (  1.668,   2.101,   0.514)  (  1.697,   2.122,   0.516)  ( 1.75,  1.00,  0.10)
171:     angle   ( -2.813,   0.148,  -0.737)  ( -2.807,   0.157,  -0.737)  ( 0.22,  0.13,  0.03)
171:     torsion ( -0.004,  -0.000,   0.007)  ( -0.003,  -0.000,   0.013)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.503,  -0.363,  -0.145)  ( -0.503,  -0.363,  -0.145)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.764,  -0.550,  -0.219)  ( -0.764,  -0.550,  -0.219)  ( 0.00,  0.00,  0.00)
171:  2       (-20.144, -28.711,  -6.120)  (-20.107, -28.679,  -6.117)  ( 0.18,  0.11,  0.05)
171:     bond    (-23.264, -13.153,  -6.554)  (-23.234, -13.130,  -6.552)  ( 0.13,  0.17,  0.03)
171:     angle   (  3.116, -15.559,   0.458)  (  3.122, -15.549,   0.455)  ( 0.20,  0.06,  0.16)
171:     torsion (  0.005,   0.001,  -0.024)  (  0.005,   0.001,  -0.020)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  3       ( -4.496,  -1.207,  -1.210)  ( -4.490,  -1.196,  -1.209)  ( 0.14,  0.89,  0.14)
171:     bond    ( -1.865,  -2.844,  -0.582)  ( -1.861,  -2.835,  -0.582)  ( 0.23,  0.34,  0.02)
171:     angle   ( -1.717,   1.210,  -0.414)  ( -1.715,   1.211,  -0.414)  ( 0.12,  0.08,  0.01)
171:     torsion ( -0.004,  -0.000,   0.013)  ( -0.004,  -0.000,   0.014)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.757,   0.117,  -0.196)  ( -0.757,   0.117,  -0.196)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.153,   0.311,  -0.031)  ( -0.153,   0.311,  -0.031)  ( 0.00,  0.00,  0.00)
171:  4       ( -0.619,   3.694,  -0.063)  ( -0.613,   3.706,  -0.062)  ( 0.34,  0.32,  0.01)
171:     bond    ( -0.396,   0.739,  -0.080)  ( -0.393,   0.750,  -0.080)  ( 0.12,  0.83,  0.00)
171:     angle   (  4.743,   2.628,   1.337)  (  4.745,   2.629,   1.337)  ( 0.05,  0.03,  0.01)
171:     torsion (  0.005,   0.001,  -0.019)  (  0.005,   0.001,  -0.018)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -5.367,  -0.181,  -1.422)  ( -5.367,  -0.181,  -1.422)  ( 0.00,  0.00,  0.00)
171:     electro (  0.397,   0.506,   0.121)  (  0.397,   0.506,   0.121)  ( 0.00,  0.00,  0.00)
171:  5       ( 14.833,  -8.003,   3.652)  ( 14.839,  -7.991,   3.654)  ( 0.04,  0.15,  0.04)
171:     bond    (  6.026, -12.251,   1.200)  (  6.028, -12.240,   1.200)  ( 0.05,  0.09,  0.00)
171:     angle   (  7.069,   3.677,   1.984)  (  7.072,   3.677,   1.984)  ( 0.04,  0.02,  0.01)
171:     torsion (  0.002,   0.000,  -0.009)  (  0.002,   0.000,  -0.008)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.795,  -0.091,   0.207)  (  0.795,  -0.091,   0.207)  ( 0.00,  0.00,  0.00)
171:     electro (  0.941,   0.663,   0.270)  (  0.941,   0.663,   0.270)  ( 0.00,  0.00,  0.00)
171:  6       ( 84.204, 153.028,  26.891)  ( 84.228, 153.069,  26.875)  ( 0.03,  0.03,  0.06)
171:     bond    ( 97.856, 137.509,  30.243)  ( 97.875, 137.547,  30.246)  ( 0.02,  0.03,  0.01)
171:     angle   (-19.851,  15.136,  -5.020)  (-19.847,  15.139,  -5.039)  ( 0.02,  0.02,  0.37)
171:     torsion ( -0.005,  -0.001,   0.018)  ( -0.005,  -0.001,   0.018)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.516,   0.198,   1.462)  (  5.516,   0.198,   1.462)  ( 0.00,  0.00,  0.00)
171:     electro (  0.688,   0.186,   0.188)  (  0.688,   0.186,   0.188)  ( 0.00,  0.00,  0.00)
171:  7       (-71.490, -120.302, -22.565)  (-71.475, -120.275, -22.569)  ( 0.02,  0.02,  0.02)
171:     bond    (-80.126, -112.242, -24.749)  (-80.112, -112.215, -24.747)  ( 0.02,  0.02,  0.01)
171:     angle   (  9.429,  -7.265,   2.419)  (  9.430,  -7.264,   2.413)  ( 0.01,  0.01,  0.23)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.316,   0.320,   0.094)  (  0.316,   0.320,   0.094)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.109,  -1.116,  -0.328)  ( -1.109,  -1.116,  -0.328)  ( 0.00,  0.00,  0.00)
171: ok 4 # gradients 
171: ok 5 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (-15.578,  12.843, -21.710)  (-15.551,  12.869, -21.683)  ( 0.17,  0.20,  0.12)
171:     bond    (-23.897,   0.009,  -0.241)  (-23.879,   0.028,  -0.222)  ( 0.08,  0.02,  0.45)
171:     angle   (  9.184,   9.468, -16.237)  (  9.192,   9.475, -16.229)  ( 0.09,  0.07,  0.05)
171:     torsion ( -0.724,   3.315,  -5.141)  ( -0.724,   3.316,  -5.141)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.085,  -0.028,   0.049)  (  0.085,  -0.028,   0.049)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.226,   0.080,  -0.140)  ( -0.226,   0.080,  -0.140)  ( 0.00,  0.00,  0.00)
171:  2       ( 66.444, -20.112,  34.103)  ( 66.479, -20.099,  34.137)  ( 0.05,  0.07,  0.10)
171:     bond    ( 80.756,  -4.206,   7.454)  ( 80.781,  -4.197,   7.481)  ( 0.03,  0.23,  0.37)
171:     angle   (-14.451, -14.681,  25.955)  (-14.441, -14.678,  25.961)  ( 0.07,  0.02,  0.02)
171:     torsion (  0.139,  -1.225,   0.694)  (  0.139,  -1.224,   0.694)  ( 0.00,  0.09,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  3       (-29.182, -26.066,  44.177)  (-29.173, -26.060,  44.194)  ( 0.03,  0.02,  0.04)
171:     bond    (-25.038, -24.585,  42.258)  (-25.032, -24.579,  42.274)  ( 0.02,  0.02,  0.04)
171:     angle   ( -9.303,   2.374,  -4.127)  ( -9.300,   2.375,  -4.126)  ( 0.03,  0.01,  0.02)
171:     torsion (  0.000,  -0.282,  -0.164)  (  0.000,  -0.282,  -0.164)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.203,   0.230,  -0.381)  (  5.203,   0.230,  -0.381)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.044,  -3.803,   6.591)  ( -0.044,  -3.803,   6.591)  ( 0.00,  0.00,  0.00)
171:  4       ( 24.918,  38.241, -61.839)  ( 24.953,  38.251, -61.810)  ( 0.14,  0.03,  0.05)
171:     bond    (-28.645,  29.006, -49.921)  (-28.619,  29.013, -49.899)  ( 0.09,  0.03,  0.04)
171:     angle   ( 48.649,   7.158, -13.750)  ( 48.659,   7.159, -13.745)  ( 0.02,  0.02,  0.04)
171:     torsion (  0.017,   2.352,   1.351)  (  0.017,   2.354,   1.352)  ( 0.00,  0.07,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  7.319,  -0.635,   1.111)  (  7.319,  -0.635,   1.111)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.422,   0.360,  -0.629)  ( -2.422,   0.360,  -0.629)  ( 0.00,  0.00,  0.00)
171:  5       (-21.265,   6.874, -14.158)  (-21.258,   6.878, -14.147)  ( 0.03,  0.06,  0.08)
171:     bond    (  1.241,   1.282,  -2.290)  (  1.244,   1.286,  -2.280)  ( 0.26,  0.26,  0.46)
171:     angle   (-24.505,   6.123,  -9.921)  (-24.502,   6.123,  -9.921)  ( 0.01,  0.00,  0.00)
171:     torsion ( -0.015,  -1.247,  -0.712)  ( -0.015,  -1.247,  -0.712)  ( 0.00,  0.04,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.129,   0.078,  -0.137)  ( -0.129,   0.078,  -0.137)  ( 0.00,  0.00,  0.00)
171:     electro (  2.143,   0.638,  -1.097)  (  2.143,   0.638,  -1.097)  ( 0.00,  0.00,  0.00)
171:  6       ( -9.157,  -4.798,   7.257)  ( -9.140,  -4.797,   7.260)  ( 0.19,  0.03,  0.04)
171:     bond    ( -9.043,  -0.339,   0.462)  ( -9.026,  -0.339,   0.462)  ( 0.19,  0.00,  0.00)
171:     angle   (  0.755,  -5.921,  10.394)  (  0.755,  -5.921,  10.396)  ( 0.00,  0.02,  0.03)
171:     torsion (  0.003,  -0.460,  -0.269)  (  0.003,  -0.459,  -0.269)  ( 0.00,  0.02,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.127,   0.070,  -0.122)  ( -0.127,   0.070,  -0.122)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.745,   1.852,  -3.207)  ( -0.745,   1.852,  -3.207)  ( 0.00,  0.00,  0.00)
171:  7       ( -5.958,   3.771,   5.961)  ( -5.955,   3.784,   5.963)  ( 0.06,  0.35,  0.04)
171:     bond    (  0.880,   2.996,  -0.063)  (  0.882,   3.009,  -0.063)  ( 0.10,  0.43,  0.00)
171:     angle   ( -3.718,   1.192,   4.962)  ( -3.716,   1.192,   4.964)  ( 0.06,  0.01,  0.04)
171:     torsion (  0.288,  -0.026,   2.823)  (  0.288,  -0.026,   2.823)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.634,  -0.831,  -1.163)  ( -3.634,  -0.831,  -1.163)  ( 0.00,  0.00,  0.00)
171:     electro (  0.226,   0.440,  -0.598)  (  0.226,   0.440,  -0.598)  ( 0.00,  0.00,  0.00)
171:  8       ( -5.916,  -7.067,  -0.309)  ( -5.912,  -7.062,  -0.298)  ( 0.06,  0.06,  0.33)
171:     bond    (  0.875,  -1.405,  -2.611)  (  0.876,  -1.402,  -2.601)  ( 0.10,  0.21,  0.39)
171:     angle   ( -3.642,  -4.939,   1.435)  ( -3.639,  -4.938,   1.436)  ( 0.06,  0.03,  0.04)
171:     torsion (  0.292,  -2.437,   1.412)  (  0.292,  -2.437,   1.412)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.658,   1.415,   0.141)  ( -3.658,   1.415,   0.141)  ( 0.00,  0.00,  0.00)
171:     electro (  0.217,   0.299,  -0.686)  (  0.217,   0.299,  -0.686)  ( 0.00,  0.00,  0.00)
171:  9       ( -4.447,  -3.770,   6.375)  ( -4.443,  -3.765,   6.384)  ( 0.11,  0.12,  0.15)
171:     bond    (  2.770,  -2.821,   4.838)  (  2.773,  -2.818,   4.847)  ( 0.10,  0.10,  0.18)
171:     angle   ( -3.009,  -0.788,   1.262)  ( -3.008,  -0.787,   1.263)  ( 0.06,  0.13,  0.07)
171:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -5.059,  -0.299,   0.503)  ( -5.059,  -0.299,   0.503)  ( 0.00,  0.00,  0.00)
171:     electro (  0.851,   0.134,  -0.232)  (  0.851,   0.134,  -0.232)  ( 0.00,  0.00,  0.00)
171: ok 6 # gradients 
171: ok 7 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       ( 67.160,   2.206,  24.780)  ( 67.186,   2.233,  24.806)  ( 0.04,  1.22,  0.10)
171:     bond    ( 22.644, -16.648,  11.930)  ( 22.661, -16.629,  11.948)  ( 0.08,  0.11,  0.15)
171:     angle   ( 37.185,  11.973,   6.180)  ( 37.193,  11.982,   6.187)  ( 0.02,  0.07,  0.12)
171:     torsion ( -1.785,   2.458,   6.015)  ( -1.785,   2.458,   6.015)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  8.865,   3.684,   0.918)  (  8.865,   3.684,   0.918)  ( 0.00,  0.00,  0.00)
171:     electro (  0.251,   0.738,  -0.263)  (  0.251,   0.738,  -0.263)  ( 0.00,  0.00,  0.00)
171:  2       (-54.056, -12.659, -38.296)  (-54.035, -12.646, -38.291)  ( 0.04,  0.10,  0.01)
171:     bond    (-48.851,  -1.807, -13.473)  (-48.831,  -1.800, -13.471)  ( 0.04,  0.40,  0.02)
171:     angle   (-10.253,  -3.726,  -7.605)  (-10.252,  -3.720,  -7.603)  ( 0.01,  0.15,  0.03)
171:     torsion (  5.048,  -7.126, -17.218)  (  5.048,  -7.126, -17.217)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  3       ( -9.462,   3.054,  -6.871)  ( -9.460,   3.067,  -6.868)  ( 0.03,  0.45,  0.04)
171:     bond    (  0.187,   4.023,   0.769)  (  0.187,   4.037,   0.769)  ( 0.00,  0.34,  0.04)
171:     angle   (-24.568,   2.112,  -5.117)  (-24.566,   2.112,  -5.115)  ( 0.01,  0.00,  0.04)
171:     torsion (  2.570,   0.608,  -3.814)  (  2.570,   0.608,  -3.814)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  9.035,  -3.284,   1.316)  (  9.036,  -3.284,   1.316)  ( 0.00,  0.00,  0.00)
171:     electro (  3.314,  -0.405,  -0.025)  (  3.314,  -0.405,  -0.025)  ( 0.00,  0.00,  0.00)
171:  4       ( -0.929,   4.323,   5.355)  ( -0.918,   4.327,   5.359)  ( 1.02,  0.09,  0.07)
171:     bond    ( -2.129,  -0.870,   0.925)  ( -2.119,  -0.868,   0.927)  ( 0.49,  0.15,  0.18)
171:     angle   ( -0.029,   1.460,   1.303)  ( -0.028,   1.462,   1.305)  ( 0.00,  0.14,  0.14)
171:     torsion (  0.179,   3.113,   3.325)  (  0.179,   3.114,   3.325)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.066,  -0.008,  -0.008)  ( -0.066,  -0.008,  -0.008)  ( 0.00,  0.00,  0.00)
171:     electro (  1.117,   0.628,  -0.190)  (  1.117,   0.628,  -0.190)  ( 0.00,  0.00,  0.00)
171:  5       ( -7.077,  -6.899,   0.843)  ( -7.075,  -6.896,   0.857)  ( 0.03,  0.04,  1.16)
171:     bond    (  0.021,  -0.314,  -1.873)  (  0.021,  -0.313,  -1.860)  ( 0.00,  0.01,  0.73)
171:     angle   ( -6.502,  -3.846,   0.573)  ( -6.499,  -3.843,   0.573)  ( 0.03,  0.06,  0.00)
171:     torsion ( -2.778,  -3.682,   0.588)  ( -2.778,  -3.682,   0.588)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.685,   0.034,   0.553)  (  0.685,   0.034,   0.553)  ( 0.00,  0.00,  0.00)
171:     electro (  1.496,   0.908,   1.002)  (  1.496,   0.908,   1.002)  ( 0.00,  0.00,  0.00)
171:  6       (-17.237,  28.530,  -1.904)  (-17.205,  28.562,  -1.894)  ( 0.19,  0.11,  0.55)
171:     bond    ( -4.210,  31.977, -15.446)  ( -4.178,  32.002, -15.437)  ( 0.75,  0.08,  0.06)
171:     angle   (  1.764, -12.053,   5.716)  (  1.765, -12.047,   5.717)  ( 0.01,  0.05,  0.02)
171:     torsion ( -3.310,   4.741,  11.339)  ( -3.310,   4.741,  11.339)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -7.040,   3.119,  -1.982)  ( -7.040,   3.120,  -1.982)  ( 0.00,  0.00,  0.00)
171:     electro ( -4.442,   0.747,  -1.531)  ( -4.442,   0.747,  -1.531)  ( 0.00,  0.00,  0.00)
171:  7       ( 39.537, -11.561,  18.250)  ( 39.556, -11.555,  18.255)  ( 0.05,  0.05,  0.03)
171:     bond    ( 32.188, -14.882,  16.406)  ( 32.207, -14.877,  16.411)  ( 0.06,  0.03,  0.03)
171:     angle   (  2.414,   4.058,  -1.058)  (  2.414,   4.059,  -1.058)  ( 0.02,  0.04,  0.01)
171:     torsion ( -0.273,   0.396,   0.895)  ( -0.273,   0.396,   0.895)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.203,  -0.065,   0.084)  (  0.203,  -0.065,   0.084)  ( 0.00,  0.00,  0.00)
171:     electro (  5.005,  -1.067,   1.924)  (  5.005,  -1.067,   1.924)  ( 0.00,  0.00,  0.00)
171:  8       (-18.049,  -7.109,  -2.227)  (-18.049,  -7.091,  -2.224)  ( 0.00,  0.24,  0.17)
171:     bond    (  0.051,  -1.569,   0.709)  (  0.051,  -1.551,   0.712)  ( 0.00,  1.10,  0.26)
171:     angle   ( -0.026,  -0.004,  -0.006)  ( -0.026,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.349,  -0.508,  -1.131)  (  0.349,  -0.508,  -1.131)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-11.682,  -3.480,  -0.882)  (-11.682,  -3.480,  -0.882)  ( 0.00,  0.00,  0.00)
171:     electro ( -6.742,  -1.548,  -0.918)  ( -6.742,  -1.548,  -0.918)  ( 0.00,  0.00,  0.00)
171: ok 8 # gradients 
171: ok 9 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       ( 52.387, -74.873, 129.946)  ( 52.410, -74.851, 129.962)  ( 0.04,  0.03,  0.01)
171:     bond    ( 44.647, -63.177, 109.681)  ( 44.664, -63.162, 109.690)  ( 0.04,  0.02,  0.01)
171:     angle   (  7.753, -11.692,  20.276)  (  7.758, -11.686,  20.282)  ( 0.07,  0.05,  0.03)
171:     torsion ( -0.013,  -0.004,  -0.010)  ( -0.013,  -0.004,  -0.010)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  2       ( -3.482,   5.998, -10.520)  ( -3.455,   6.026, -10.493)  ( 0.79,  0.46,  0.26)
171:     bond    ( -2.128,   0.003,   0.008)  ( -2.108,   0.023,   0.029)  ( 0.92,  0.01,  0.02)
171:     angle   ( -6.969,   4.291,  -7.559)  ( -6.962,   4.299,  -7.552)  ( 0.11,  0.18,  0.09)
171:     torsion ( -0.000,   0.006,  -0.002)  (  0.000,   0.006,  -0.002)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.786,   1.739,  -3.039)  (  5.786,   1.739,  -3.039)  ( 0.00,  0.01,  0.00)
171:     electro ( -0.172,  -0.041,   0.071)  ( -0.172,  -0.041,   0.071)  ( 0.00,  0.00,  0.00)
171:  3       (-13.747,   4.615, -10.582)  (-13.719,   4.643, -10.554)  ( 0.21,  0.59,  0.26)
171:     bond    (  0.559,   1.981,  -0.095)  (  0.579,   2.001,  -0.075)  ( 1.12,  0.99,  0.19)
171:     angle   ( -1.658,   7.834,  -7.537)  ( -1.651,   7.842,  -7.530)  ( 0.46,  0.10,  0.09)
171:     torsion (  0.006,  -0.002,   0.014)  (  0.006,  -0.002,   0.014)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-12.755,  -5.343,  -3.034)  (-12.755,  -5.343,  -3.034)  ( 0.00,  0.00,  0.00)
171:     electro (  0.101,   0.145,   0.071)  (  0.101,   0.145,   0.071)  ( 0.00,  0.00,  0.00)
171:  4       (-13.936,   6.910,  -9.592)  (-13.908,   6.938,  -9.565)  ( 0.20,  0.40,  0.28)
171:     bond    (  0.682,  -0.990,  -1.830)  (  0.702,  -0.970,  -1.810)  ( 1.37,  1.98,  1.08)
171:     angle   ( -1.826,   2.713, -10.797)  ( -1.818,   2.721, -10.789)  ( 0.42,  0.27,  0.07)
171:     torsion ( -0.001,   0.005,  -0.004)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-12.893,   5.316,   3.128)  (-12.892,   5.316,   3.128)  ( 0.00,  0.00,  0.00)
171:     electro (  0.101,  -0.134,  -0.090)  (  0.101,  -0.134,  -0.090)  ( 0.00,  0.00,  0.00)
171:  5       (-25.904, 128.140,  -0.201)  (-25.900, 128.153,  -0.199)  ( 0.02,  0.01,  0.05)
171:     bond    (-44.104, 124.539,  -0.001)  (-44.102, 124.552,   0.000)  ( 0.00,  0.01,  0.00)
171:     angle   (  2.105,   0.746,  -0.030)  (  2.107,   0.746,  -0.028)  ( 0.09,  0.02,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 15.081,   2.805,   0.042)  ( 15.081,   2.805,   0.042)  ( 0.00,  0.00,  0.00)
171:     electro (  1.014,   0.050,  -0.212)  (  1.014,   0.050,  -0.212)  ( 0.00,  0.00,  0.00)
171:  6       (-41.125, -62.438, 108.322)  (-41.121, -62.433, 108.332)  ( 0.01,  0.01,  0.01)
171:     bond    (-44.022, -62.301, 107.873)  (-44.020, -62.298, 107.882)  ( 0.00,  0.01,  0.01)
171:     angle   (  2.401,  -0.335,   0.787)  (  2.403,  -0.333,   0.788)  ( 0.08,  0.05,  0.05)
171:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.085,  -0.035,   0.060)  ( -0.085,  -0.035,   0.060)  ( 0.00,  0.00,  0.00)
171:     electro (  0.580,   0.231,  -0.400)  (  0.580,   0.231,  -0.400)  ( 0.00,  0.00,  0.00)
171:  7       (-25.293, -63.902, -111.322)  (-25.288, -63.897, -111.312)  ( 0.02,  0.01,  0.01)
171:     bond    (-44.001, -62.281, -107.920)  (-43.999, -62.278, -107.911)  ( 0.00,  0.01,  0.01)
171:     angle   (  2.450,  -0.318,  -0.818)  (  2.452,  -0.317,  -0.817)  ( 0.08,  0.05,  0.05)
171:     torsion ( -0.000,  -0.004,   0.002)  (  0.000,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 15.243,  -1.456,  -2.437)  ( 15.244,  -1.456,  -2.437)  ( 0.00,  0.00,  0.00)
171:     electro (  1.015,   0.158,  -0.150)  (  1.015,   0.158,  -0.150)  ( 0.00,  0.00,  0.00)
171:  8       (130.829,  -5.135,  -1.747)  (130.843,  -5.132,  -1.745)  ( 0.01,  0.06,  0.15)
171:     bond    (132.182,  -0.001,  -0.001)  (132.197,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
171:     angle   ( -0.000,  -2.186,  -0.045)  (  0.000,  -2.183,  -0.043)  ( 0.00,  0.10,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.859,  -2.328,  -1.348)  ( -0.859,  -2.328,  -1.348)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.495,  -0.621,  -0.353)  ( -0.495,  -0.621,  -0.353)  ( 0.00,  0.00,  0.00)
171:  9       (-47.847,  57.535, 107.082)  (-47.843,  57.540, 107.092)  ( 0.01,  0.01,  0.01)
171:     bond    (-44.022,  62.294, 107.873)  (-44.020,  62.298, 107.882)  ( 0.00,  0.01,  0.01)
171:     angle   ( -1.070,  -2.139,   0.797)  ( -1.068,  -2.137,   0.798)  ( 0.16,  0.08,  0.05)
171:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.321,  -1.993,  -1.141)  ( -2.321,  -1.993,  -1.141)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.435,  -0.628,  -0.447)  ( -0.435,  -0.628,  -0.447)  ( 0.00,  0.00,  0.00)
171: 10       (-47.394,  54.137, -107.992)  (-47.390,  54.143, -107.982)  ( 0.01,  0.01,  0.01)
171:     bond    (-43.959,  62.203, -107.816)  (-43.957,  62.206, -107.807)  ( 0.00,  0.01,  0.01)
171:     angle   ( -1.055,  -2.187,  -0.832)  ( -1.053,  -2.186,  -0.832)  ( 0.17,  0.08,  0.05)
171:     torsion (  0.004,  -0.002,  -0.003)  (  0.004,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.994,  -4.924,   0.658)  ( -1.994,  -4.924,   0.658)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.391,  -0.952,   0.001)  ( -0.391,  -0.952,   0.001)  ( 0.00,  0.00,  0.00)
171: 11       (130.831,   4.001,   3.571)  (130.845,   4.004,   3.574)  ( 0.01,  0.07,  0.08)
171:     bond    (132.183,  -0.035,  -0.070)  (132.197,  -0.035,  -0.070)  ( 0.01,  0.00,  0.00)
171:     angle   (  0.001,   1.081,   1.938)  (  0.001,   1.083,   1.940)  ( 0.00,  0.18,  0.11)
171:     torsion ( -0.000,   0.005,  -0.003)  ( -0.000,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.859,   2.334,   1.344)  ( -0.859,   2.334,   1.344)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.494,   0.616,   0.362)  ( -0.494,   0.616,   0.362)  ( 0.00,  0.00,  0.00)
171: 12       (-47.569,  66.412, -100.996)  (-47.565,  66.418, -100.985)  ( 0.01,  0.01,  0.01)
171:     bond    (-44.072,  62.288, -107.890)  (-44.070,  62.292, -107.881)  ( 0.00,  0.01,  0.01)
171:     angle   ( -1.090,   1.766,   1.465)  ( -1.088,   1.768,   1.465)  ( 0.16,  0.09,  0.05)
171:     torsion ( -0.005,  -0.004,   0.000)  ( -0.005,  -0.004,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.011,   1.886,   4.604)  ( -2.011,   1.886,   4.604)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.390,   0.475,   0.826)  ( -0.390,   0.475,   0.826)  ( 0.00,  0.00,  0.00)
171: 13       (-47.912, -121.563,   3.871)  (-47.908, -121.550,   3.874)  ( 0.01,  0.01,  0.07)
171:     bond    (-44.066, -124.643,   0.069)  (-44.064, -124.631,   0.070)  ( 0.00,  0.01,  0.00)
171:     angle   ( -1.083,   0.383,   2.316)  ( -1.082,   0.384,   2.318)  ( 0.16,  0.01,  0.09)
171:     torsion (  0.009,  -0.003,   0.005)  (  0.009,  -0.003,   0.005)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.336,   1.998,   1.161)  ( -2.336,   1.998,   1.161)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.435,   0.702,   0.320)  ( -0.435,   0.702,   0.320)  ( 0.00,  0.00,  0.00)
171: ok 10 # gradients 
171: ok 11 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (-271.138, 383.042, -663.507)  (-271.125, 383.054, -663.501)  ( 0.00,  0.00,  0.00)
171:     bond    (-217.378, 307.591, -532.902)  (-217.370, 307.598, -532.901)  ( 0.00,  0.00,  0.00)
171:     angle   (-53.753,  75.453, -130.601)  (-53.749,  75.457, -130.596)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.006,  -0.002,  -0.005)  ( -0.006,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  2       (770.692, -25.809,  44.488)  (770.715, -25.784,  44.512)  ( 0.00,  0.10,  0.05)
171:     bond    (788.238,   0.006,   0.011)  (788.254,   0.024,   0.029)  ( 0.00,  0.01,  0.02)
171:     angle   (-26.180, -28.418,  49.021)  (-26.173, -28.411,  49.028)  ( 0.03,  0.02,  0.01)
171:     torsion ( -0.000,   0.003,  -0.001)  (  0.000,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  9.043,   2.698,  -4.714)  (  9.043,   2.698,  -4.714)  ( 0.00,  0.01,  0.00)
171:     electro ( -0.409,  -0.098,   0.170)  ( -0.409,  -0.098,   0.170)  ( 0.00,  0.00,  0.00)
171:  3       (-246.459, -735.886,  44.420)  (-246.434, -735.862,  44.444)  ( 0.01,  0.00,  0.05)
171:     bond    (-263.274, -743.035,  -0.093)  (-263.257, -743.019,  -0.075)  ( 0.01,  0.00,  0.16)
171:     angle   ( 35.493,  15.072,  49.043)  ( 35.500,  15.079,  49.050)  ( 0.02,  0.05,  0.01)
171:     torsion (  0.003,  -0.001,   0.006)  (  0.003,  -0.001,   0.006)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-18.922,  -8.267,  -4.707)  (-18.922,  -8.267,  -4.707)  ( 0.00,  0.00,  0.00)
171:     electro (  0.241,   0.346,   0.170)  (  0.241,   0.346,   0.170)  ( 0.00,  0.00,  0.00)
171:  4       (-246.256, 329.681, 659.355)  (-246.231, 329.705, 659.379)  ( 0.01,  0.01,  0.00)
171:     bond    (-262.685, 371.683, 643.520)  (-262.668, 371.701, 643.537)  ( 0.01,  0.00,  0.00)
171:     angle   ( 35.311, -49.918,  11.219)  ( 35.318, -49.912,  11.226)  ( 0.02,  0.01,  0.06)
171:     torsion ( -0.001,   0.002,  -0.002)  ( -0.000,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-19.122,   8.234,   4.833)  (-19.122,   8.234,   4.833)  ( 0.00,  0.00,  0.00)
171:     electro (  0.241,  -0.320,  -0.215)  (  0.241,  -0.320,  -0.215)  ( 0.00,  0.00,  0.00)
171:  5       (-11.489, 135.972,  -0.102)  (-11.484, 135.985,  -0.100)  ( 0.04,  0.01,  0.02)
171:     bond    (-45.231, 127.721,  -0.001)  (-45.228, 127.733,   0.000)  ( 0.00,  0.01,  0.00)
171:     angle   (  8.533,   3.022,  -0.030)  (  8.535,   3.022,  -0.028)  ( 0.02,  0.01,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 24.859,   5.186,   0.011)  ( 24.859,   5.186,   0.011)  ( 0.00,  0.00,  0.00)
171:     electro (  0.350,   0.044,  -0.082)  (  0.350,   0.044,  -0.082)  ( 0.00,  0.00,  0.00)
171:  6       (-36.115, -65.266, 113.222)  (-36.111, -65.261, 113.232)  ( 0.01,  0.01,  0.01)
171:     bond    (-45.146, -63.893, 110.628)  (-45.144, -63.889, 110.638)  ( 0.00,  0.01,  0.01)
171:     angle   (  8.798,  -1.462,   2.746)  (  8.800,  -1.461,   2.747)  ( 0.02,  0.10,  0.02)
171:     torsion ( -0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.037,   0.008,  -0.014)  (  0.037,   0.008,  -0.014)  ( 0.00,  0.00,  0.00)
171:     electro (  0.197,   0.081,  -0.140)  (  0.197,   0.081,  -0.140)  ( 0.00,  0.00,  0.00)
171:  7       (-10.816, -67.901, -118.066)  (-10.812, -67.896, -118.056)  ( 0.04,  0.01,  0.01)
171:     bond    (-45.125, -63.872, -110.677)  (-45.123, -63.868, -110.667)  ( 0.00,  0.01,  0.01)
171:     angle   (  8.836,  -1.443,  -2.772)  (  8.838,  -1.442,  -2.771)  ( 0.02,  0.10,  0.02)
171:     torsion ( -0.000,  -0.002,   0.001)  (  0.000,  -0.002,   0.001)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 25.121,  -2.633,  -4.539)  ( 25.122,  -2.633,  -4.539)  ( 0.00,  0.00,  0.00)
171:     electro (  0.351,   0.049,  -0.079)  (  0.351,   0.049,  -0.079)  ( 0.00,  0.00,  0.00)
171:  8       (133.977, -13.687,  -2.770)  (133.991, -13.684,  -2.767)  ( 0.01,  0.02,  0.09)
171:     bond    (135.558,  -0.001,  -0.001)  (135.572,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
171:     angle   ( -0.000,  -9.007,  -0.044)  (  0.000,  -9.005,  -0.042)  ( 0.00,  0.02,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.421,  -4.461,  -2.588)  ( -1.421,  -4.461,  -2.588)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.160,  -0.219,  -0.137)  ( -0.160,  -0.219,  -0.137)  ( 0.00,  0.00,  0.00)
171:  9       (-54.376,  52.198, 110.874)  (-54.372,  52.203, 110.884)  ( 0.01,  0.01,  0.01)
171:     bond    (-45.146,  63.885, 110.628)  (-45.144,  63.889, 110.638)  ( 0.00,  0.01,  0.01)
171:     angle   ( -4.271,  -7.796,   2.758)  ( -4.269,  -7.794,   2.759)  ( 0.04,  0.02,  0.02)
171:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.788,  -3.684,  -2.353)  ( -4.788,  -3.684,  -2.353)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.171,  -0.208,  -0.159)  ( -0.171,  -0.208,  -0.159)  ( 0.00,  0.00,  0.00)
171: 10       (-53.750,  46.610, -112.293)  (-53.747,  46.615, -112.283)  ( 0.01,  0.01,  0.01)
171:     bond    (-45.082,  63.793, -110.573)  (-45.080,  63.796, -110.563)  ( 0.00,  0.01,  0.01)
171:     angle   ( -4.250,  -7.836,  -2.789)  ( -4.249,  -7.835,  -2.788)  ( 0.04,  0.02,  0.02)
171:     torsion (  0.002,  -0.001,  -0.001)  (  0.002,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.265,  -9.021,   1.090)  ( -4.265,  -9.021,   1.090)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.155,  -0.325,  -0.020)  ( -0.155,  -0.325,  -0.020)  ( 0.00,  0.00,  0.00)
171: 11       (133.984,   9.161,  10.464)  (133.998,   9.163,  10.466)  ( 0.01,  0.03,  0.02)
171:     bond    (135.558,  -0.036,  -0.072)  (135.572,  -0.036,  -0.071)  ( 0.01,  0.00,  0.00)
171:     angle   (  0.005,   4.491,   7.842)  (  0.005,   4.493,   7.844)  ( 0.00,  0.04,  0.02)
171:     torsion ( -0.000,   0.002,  -0.001)  ( -0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.419,   4.476,   2.574)  ( -1.419,   4.476,   2.574)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.160,   0.228,   0.121)  ( -0.160,   0.228,   0.121)  ( 0.00,  0.00,  0.00)
172:     torsion ( -0.000,   0.007,  -0.004)  ( -0.000,   0.007,  -0.004)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (-82.674, 109.685, -169.760)  (-82.667, 109.695, -169.740)  ( 0.01,  0.01,  0.01)
172:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
172:     torsion ( -0.007,  -0.005,   0.000)  ( -0.007,  -0.005,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       (-82.951, -203.270,   2.440)  (-82.943, -203.245,   2.444)  ( 0.01,  0.01,  0.17)
172:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
172:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
172:     torsion (  0.012,  -0.004,   0.007)  (  0.012,  -0.004,   0.007)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 12 # gradients 
172: ok 13 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (-37.135, -25.583,  -5.155)  (-37.065, -25.493,  -5.141)  ( 0.19,  0.35,  0.27)
172:     bond    (-39.393, -37.584,  -9.117)  (-39.335, -37.506,  -9.108)  ( 0.15,  0.21,  0.11)
172:     angle   (  7.381,  12.289,   3.318)  (  7.394,  12.300,   3.319)  ( 0.17,  0.09,  0.04)
172:     torsion (  0.061,  -0.144,   0.321)  (  0.061,  -0.144,   0.324)  ( 0.00,  0.00,  0.09)
172:     vdw     ( -5.824,   0.116,   0.584)  ( -5.824,   0.116,   0.584)  ( 0.00,  0.00,  0.00)
172:     electro (  0.639,  -0.259,  -0.260)  (  0.639,  -0.259,  -0.260)  ( 0.00,  0.00,  0.00)
172:  2       ( 38.411,  37.278,   9.927)  ( 38.505,  37.348,   9.938)  ( 0.24,  0.19,  0.11)
172:     bond    ( 31.945,  49.472,  14.218)  ( 32.026,  49.531,  14.224)  ( 0.25,  0.12,  0.04)
172:     angle   (  8.741, -16.613,  -6.348)  (  8.754, -16.602,  -6.347)  ( 0.14,  0.07,  0.02)
172:     torsion ( -0.021,  -0.066,   0.306)  ( -0.021,  -0.066,   0.309)  ( 0.00,  0.00,  0.09)
172:     vdw     ( -2.211,   5.417,   2.288)  ( -2.211,   5.417,   2.288)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.043,  -0.931,  -0.537)  ( -0.043,  -0.931,  -0.537)  ( 0.00,  0.00,  0.00)
172:  3       ( 37.676,   9.956,  11.493)  ( 37.770,  10.028,  11.506)  ( 0.25,  0.72,  0.11)
172:     bond    ( 22.225, -39.741, -16.148)  ( 22.304, -39.682, -16.140)  ( 0.36,  0.15,  0.05)
172:     angle   ( 15.646,  49.327,  16.801)  ( 15.661,  49.339,  16.803)  ( 0.09,  0.02,  0.01)
172:     torsion (  0.640,  -4.608,  12.311)  (  0.640,  -4.608,  12.314)  ( 0.00,  0.01,  0.02)
172:     vdw     ( -0.175,   6.511,  -0.244)  ( -0.175,   6.511,  -0.244)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.660,  -1.533,  -1.228)  ( -0.660,  -1.533,  -1.228)  ( 0.00,  0.00,  0.00)
172:  4       (-82.568,   2.725,  38.198)  (-82.476,   2.823,  38.217)  ( 0.11,  3.60,  0.05)
172:     bond    (-63.591,  43.917,  19.919)  (-63.515,  43.994,  19.930)  ( 0.12,  0.18,  0.05)
172:     angle   (-24.738, -39.856,  21.223)  (-24.722, -39.835,  21.228)  ( 0.07,  0.05,  0.03)
172:     torsion ( -0.219,  -0.406,  -1.055)  ( -0.219,  -0.405,  -1.052)  ( 0.00,  0.03,  0.30)
172:     vdw     (  5.980,  -0.930,  -1.889)  (  5.980,  -0.930,  -1.889)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-79.362, -10.491,   1.322)  (-79.266, -10.421,   1.335)  ( 0.12,  0.67,  0.93)
172:     bond    (-52.026,   2.020,   6.986)  (-51.946,   2.079,   6.994)  ( 0.16,  2.88,  0.11)
172:     angle   (-28.249,  -8.322,  -0.594)  (-28.234,  -8.310,  -0.592)  ( 0.05,  0.14,  0.10)
172:     torsion (  0.098,   1.325,  -3.983)  (  0.099,   1.325,  -3.980)  ( 0.00,  0.03,  0.07)
172:     vdw     ( -0.161,  -6.107,  -1.169)  ( -0.161,  -6.107,  -1.169)  ( 0.00,  0.00,  0.00)
172:     electro (  0.976,   0.593,   0.083)  (  0.976,   0.593,   0.083)  ( 0.00,  0.00,  0.00)
172:  6       ( 36.692, -14.717,  -9.327)  ( 36.783, -14.646,  -9.314)  ( 0.25,  0.48,  0.14)
172:     bond    ( 53.347, -12.349,  -9.653)  ( 53.426, -12.289,  -9.645)  ( 0.15,  0.48,  0.09)
172:     angle   (-14.012,   2.744,   2.305)  (-13.999,   2.755,   2.306)  ( 0.09,  0.41,  0.06)
172:     torsion ( -0.010,   0.362,  -0.308)  ( -0.010,   0.362,  -0.305)  ( 0.00,  0.01,  0.09)
172:     vdw     ( -3.247,  -5.827,  -1.669)  ( -3.247,  -5.827,  -1.669)  ( 0.00,  0.00,  0.00)
172:     electro (  0.614,   0.354,  -0.001)  (  0.614,   0.354,  -0.001)  ( 0.00,  0.00,  0.00)
172:  7       (200.889,   4.865, 180.344)  (200.967,   4.901, 180.385)  ( 0.04,  0.75,  0.02)
172:     bond    (222.352,  66.628, 140.599)  (222.417,  66.649, 140.627)  ( 0.03,  0.03,  0.02)
172:     angle   (  5.358,   8.587, -17.210)  (  5.370,   8.600, -17.200)  ( 0.22,  0.14,  0.06)
172:     torsion (-24.205, -77.836,  59.395)  (-24.204, -77.834,  59.396)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.040,   8.269,  -3.213)  ( -0.040,   8.269,  -3.213)  ( 0.00,  0.00,  0.00)
172:     electro ( -2.577,  -0.783,   0.775)  ( -2.577,  -0.783,   0.775)  ( 0.00,  0.00,  0.00)
172:  8       (-737.337, -58.076, -13.799)  (-737.247, -58.047, -13.726)  ( 0.01,  0.05,  0.52)
172:     bond    (-746.916,   5.571,  66.213)  (-746.841,   5.590,  66.276)  ( 0.01,  0.34,  0.10)
172:     angle   (  0.733, -57.566, -37.981)  (  0.748, -57.560, -37.972)  ( 1.06,  0.01,  0.02)
172:     torsion (  2.354,   5.244, -42.997)  (  2.354,   5.247, -42.997)  ( 0.01,  0.06,  0.00)
172:     vdw     (  5.596, -11.059,   1.056)  (  5.596, -11.058,   1.056)  ( 0.00,  0.01,  0.00)
172:     electro (  0.896,  -0.266,  -0.089)  (  0.896,  -0.266,  -0.089)  ( 0.00,  0.00,  0.00)
172:  9       ( 53.979, -50.957, -165.826)  ( 53.991, -50.942, -165.779)  ( 0.02,  0.03,  0.03)
172:     bond    ( 56.519, -79.843, -150.792)  ( 56.526, -79.830, -150.746)  ( 0.01,  0.02,  0.03)
172:     angle   (-10.922,  -2.355,  -2.847)  (-10.917,  -2.355,  -2.846)  ( 0.04,  0.01,  0.01)
172:     torsion ( -3.071,  52.160, -28.774)  ( -3.071,  52.160, -28.774)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 11.731, -21.333,  17.254)  ( 11.732, -21.332,  17.254)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.278,   0.414,  -0.667)  ( -0.278,   0.414,  -0.667)  ( 0.00,  0.00,  0.00)
172: 10       (902.852, -191.252, -156.971)  (902.958, -191.166, -156.961)  ( 0.01,  0.05,  0.01)
172:     bond    (1009.544, -205.757, -159.927)  (1009.639, -205.682, -159.922)  ( 0.01,  0.04,  0.00)
172:     angle   (-118.889,  28.667, -37.671)  (-118.878,  28.678, -37.668)  ( 0.01,  0.04,  0.01)
172:     torsion (  5.313, -17.875,  36.215)  (  5.313, -17.874,  36.217)  ( 0.00,  0.00,  0.00)
172:     vdw     (  6.885,   3.712,   4.412)  (  6.885,   3.712,   4.412)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       (319.105, -323.366, 188.016)  (319.191, -323.286, 188.027)  ( 0.03,  0.02,  0.01)
172:     bond    (249.730, -328.174,  79.290)  (249.802, -328.108,  79.298)  ( 0.03,  0.02,  0.01)
172:     angle   ( 68.513,  15.709, 114.859)  ( 68.526,  15.722, 114.861)  ( 0.02,  0.08,  0.00)
172:     torsion (  2.045,  -6.876,  -5.315)  (  2.045,  -6.876,  -5.314)  ( 0.00,  0.00,  0.03)
172:     vdw     ( -1.183,  -4.025,  -0.819)  ( -1.183,  -4.025,  -0.819)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (792.462, 567.885, -81.270)  (792.541, 567.969, -81.256)  ( 0.01,  0.01,  0.02)
172:     bond    (843.893, 675.743, -78.173)  (843.959, 675.813, -78.163)  ( 0.01,  0.01,  0.01)
172:     angle   (-49.137, -108.267,  -6.420)  (-49.125, -108.254,  -6.418)  ( 0.03,  0.01,  0.04)
172:     torsion ( -0.622,   0.403,   3.289)  ( -0.622,   0.403,   3.291)  ( 0.00,  0.00,  0.07)
172:     vdw     ( -1.673,   0.006,   0.034)  ( -1.673,   0.006,   0.034)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       (312.993, 491.095, -75.433)  (313.079, 491.177, -75.428)  ( 0.03,  0.02,  0.01)
172:     bond    (182.102, 361.399, -39.998)  (182.175, 361.465, -39.996)  ( 0.04,  0.02,  0.00)
172:     angle   (145.132, 114.986, -32.807)  (145.144, 115.001, -32.807)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.088,   1.470,  -3.367)  ( -0.088,   1.470,  -3.364)  ( 0.00,  0.01,  0.08)
172:     vdw     (-14.461,  14.403,   1.413)  (-14.460,  14.404,   1.413)  ( 0.00,  0.00,  0.00)
172:     electro (  0.308,  -1.163,  -0.673)  (  0.308,  -1.163,  -0.673)  ( 0.00,  0.00,  0.00)
172: 14       (-285.814, 354.520,  45.351)  (-285.728, 354.617,  45.355)  ( 0.03,  0.03,  0.01)
172:     bond    (-505.028, 338.173, -11.705)  (-504.956, 338.260, -11.704)  ( 0.01,  0.03,  0.01)
172:     angle   (220.011,  15.873,  61.540)  (220.025,  15.883,  61.539)  ( 0.01,  0.06,  0.00)
172:     torsion ( -1.857,  -2.686,  -4.718)  ( -1.857,  -2.686,  -4.715)  ( 0.00,  0.00,  0.07)
172:     vdw     (  1.060,   3.160,   0.234)  (  1.060,   3.160,   0.234)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 15       ( 24.507, -209.022, -22.911)  ( 24.604, -208.936, -22.906)  ( 0.39,  0.04,  0.02)
172:     bond    (156.762, -155.422, -28.130)  (156.846, -155.348, -28.128)  ( 0.05,  0.05,  0.01)
172:     angle   (-129.413, -58.792,  -1.964)  (-129.401, -58.781,  -1.965)  ( 0.01,  0.02,  0.02)
172:     torsion ( -1.764,  -0.172,   6.998)  ( -1.763,  -0.172,   7.001)  ( 0.00,  0.00,  0.05)
172:     vdw     ( -1.078,   5.364,   0.186)  ( -1.078,   5.364,   0.186)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 16       (-51.881, -107.783,  -4.907)  (-51.801, -107.693,  -4.901)  ( 0.16,  0.08,  0.12)
172:     bond    ( 22.023, -118.566, -16.321)  ( 22.092, -118.490, -16.319)  ( 0.31,  0.06,  0.01)
172:     angle   (-70.752,   8.239,   6.612)  (-70.740,   8.252,   6.613)  ( 0.02,  0.15,  0.00)
172:     torsion (  0.535,  -0.313,   3.768)  (  0.535,  -0.313,   3.771)  ( 0.00,  0.00,  0.08)
172:     vdw     ( -4.438,   2.873,   2.399)  ( -4.437,   2.873,   2.399)  ( 0.00,  0.01,  0.00)
172:     electro (  0.749,  -0.015,  -1.365)  (  0.749,  -0.015,  -1.365)  ( 0.00,  0.00,  0.00)
172: 17       (-18.930, 107.515,  14.333)  (-18.855, 107.610,  14.339)  ( 0.39,  0.09,  0.04)
172:     bond    (-22.609, 136.062,  16.568)  (-22.547, 136.145,  16.570)  ( 0.27,  0.06,  0.01)
172:     angle   ( 10.531, -26.073,  -5.363)  ( 10.544, -26.061,  -5.363)  ( 0.12,  0.05,  0.01)
172:     torsion (  0.544,  -0.373,   3.400)  (  0.544,  -0.373,   3.403)  ( 0.00,  0.00,  0.09)
172:     vdw     ( -7.858,  -2.132,   0.339)  ( -7.858,  -2.132,   0.339)  ( 0.00,  0.00,  0.00)
172:     electro (  0.462,   0.030,  -0.611)  (  0.462,   0.030,  -0.611)  ( 0.00,  0.00,  0.00)
172: 18       (-65.774, -68.811,  -0.702)  (-65.676, -68.740,  -0.697)  ( 0.15,  0.10,  0.31)
172:     bond    (-91.259, -79.239,   0.226)  (-91.173, -79.180,   0.227)  ( 0.09,  0.07,  0.02)
172:     angle   ( 26.073,  13.883,  -0.908)  ( 26.086,  13.895,  -0.908)  ( 0.05,  0.09,  0.02)
172:     torsion (  0.013,  -0.002,   0.509)  (  0.013,  -0.002,   0.512)  ( 0.00,  0.00,  0.16)
172:     vdw     ( -0.640,  -4.484,  -0.380)  ( -0.640,  -4.484,  -0.380)  ( 0.00,  0.00,  0.00)
172:     electro (  0.039,   1.031,  -0.148)  (  0.039,   1.031,  -0.148)  ( 0.00,  0.00,  0.00)
172: 19       ( 85.150,  81.337,   1.290)  ( 85.231,  81.426,   1.294)  ( 0.10,  0.11,  0.30)
172:     bond    (131.843,  64.348,  -6.215)  (131.912,  64.425,  -6.214)  ( 0.05,  0.12,  0.01)
172:     angle   (-51.578,  20.309,   7.548)  (-51.566,  20.321,   7.548)  ( 0.02,  0.06,  0.00)
172:     torsion (  0.198,  -0.086,   0.969)  (  0.198,  -0.086,   0.972)  ( 0.00,  0.00,  0.30)
172:     vdw     (  5.356,  -3.308,  -0.917)  (  5.356,  -3.308,  -0.917)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.670,   0.074,  -0.094)  ( -0.670,   0.074,  -0.094)  ( 0.00,  0.00,  0.00)
172: 20       (-68.176,  83.937,  12.040)  (-68.102,  84.034,  12.046)  ( 0.11,  0.12,  0.05)
172:     bond    (-174.589, 125.582,  27.601)  (-174.527, 125.666,  27.603)  ( 0.04,  0.07,  0.01)
172:     angle   (103.136, -36.313, -15.162)  (103.148, -36.301, -15.162)  ( 0.01,  0.03,  0.00)
172:     torsion (  0.377,   0.326,   1.382)  (  0.377,   0.326,   1.386)  ( 0.00,  0.00,  0.23)
172:     vdw     (  3.373,  -6.111,  -1.706)  (  3.373,  -6.111,  -1.706)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.473,   0.454,  -0.075)  ( -0.473,   0.454,  -0.075)  ( 0.00,  0.00,  0.00)
172: 21       (-59.411, -82.492, -73.756)  (-59.364, -82.442, -73.714)  ( 0.08,  0.06,  0.06)
172:     bond    ( 12.624, -154.571,  15.639)  ( 12.658, -154.531,  15.674)  ( 0.27,  0.03,  0.22)
172:     angle   (-67.098,  69.417, -105.866)  (-67.085,  69.427, -105.858)  ( 0.02,  0.01,  0.01)
172:     torsion ( -4.653,   3.381,  16.257)  ( -4.653,   3.382,  16.258)  ( 0.01,  0.01,  0.00)
172:     vdw     ( -0.284,  -0.720,   0.213)  ( -0.284,  -0.720,   0.213)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 22       (-89.330,  45.460,  51.211)  (-89.280,  45.507,  51.260)  ( 0.05,  0.10,  0.10)
172:     bond    ( 12.839,  22.573,   0.989)  ( 12.876,  22.608,   1.026)  ( 0.29,  0.15,  3.63)
172:     angle   (-100.179,  23.945,  45.961)  (-100.167,  23.957,  45.974)  ( 0.01,  0.05,  0.03)
172:     torsion (  1.924,  -0.079,   2.304)  (  1.924,  -0.078,   2.305)  ( 0.01,  0.00,  0.01)
172:     vdw     ( -3.913,  -0.979,   1.956)  ( -3.913,  -0.979,   1.956)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 23       ( 89.639,  97.728, -21.522)  ( 89.689,  97.776, -21.473)  ( 0.06,  0.05,  0.23)
172:     bond    (  2.818,  34.692,   2.637)  (  2.854,  34.728,   2.674)  ( 1.27,  0.10,  1.40)
172:     angle   ( 88.780,  56.032, -24.887)  ( 88.794,  56.044, -24.875)  ( 0.02,  0.02,  0.04)
172:     torsion (  2.091,  -0.939,   5.736)  (  2.091,  -0.939,   5.736)  ( 0.01,  0.02,  0.01)
172:     vdw     ( -4.050,   7.943,  -5.008)  ( -4.050,   7.943,  -5.008)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 24       (-1361.064, -716.503,  54.666)  (-1361.020, -716.452,  54.716)  ( 0.00,  0.01,  0.09)
172:     bond    (-1327.632, -815.920,  90.720)  (-1327.597, -815.884,  90.763)  ( 0.00,  0.00,  0.05)
172:     angle   (-37.784, 107.786, -38.227)  (-37.775, 107.801, -38.220)  ( 0.02,  0.01,  0.02)
172:     torsion ( -0.124,  -0.490,  -1.187)  ( -0.124,  -0.490,  -1.187)  ( 0.00,  0.01,  0.07)
172:     vdw     (  4.476,  -7.879,   3.360)  (  4.476,  -7.878,   3.360)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 25       (-43.642, -107.862,  17.641)  (-43.595, -107.812,  17.687)  ( 0.11,  0.05,  0.26)
172:     bond    (-40.433, -20.011,   4.163)  (-40.396, -19.976,   4.199)  ( 0.09,  0.17,  0.87)
172:     angle   (-20.506, -107.609,  15.774)  (-20.497, -107.595,  15.782)  ( 0.05,  0.01,  0.05)
172:     torsion (  1.314,  -4.542,   0.958)  (  1.314,  -4.542,   0.959)  ( 0.01,  0.01,  0.07)
172:     vdw     ( 15.984,  24.300,  -3.254)  ( 15.984,  24.300,  -3.254)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 26       ( 21.669,  39.887,  -4.938)  ( 21.712,  39.934,  -4.892)  ( 0.20,  0.12,  0.92)
172:     bond    ( 55.866, -14.525, -25.232)  ( 55.900, -14.489, -25.196)  ( 0.06,  0.25,  0.14)
172:     angle   (-35.142,  55.332,  11.882)  (-35.133,  55.344,  11.892)  ( 0.03,  0.02,  0.08)
172:     torsion (  2.117,   1.420,   7.814)  (  2.117,   1.421,   7.814)  ( 0.01,  0.01,  0.01)
172:     vdw     ( -1.173,  -2.341,   0.598)  ( -1.172,  -2.341,   0.598)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 27       (-47.756, -72.759,  -8.387)  (-47.708, -72.711,  -8.342)  ( 0.10,  0.07,  0.54)
172:     bond    (-26.888,  10.352,  -0.511)  (-26.850,  10.387,  -0.476)  ( 0.14,  0.34,  1.83)
172:     angle   (-20.883, -88.530, -20.258)  (-20.873, -88.517, -20.249)  ( 0.05,  0.02,  0.04)
172:     torsion ( -3.007,   3.318,   9.853)  ( -3.006,   3.319,   9.853)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.022,   2.101,   2.529)  (  3.022,   2.101,   2.530)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 28       (-84.354,  30.361, 125.085)  (-84.308,  30.408, 125.129)  ( 0.05,  0.15,  0.04)
172:     bond    (-12.611,  17.684,  62.899)  (-12.576,  17.721,  62.933)  ( 0.28,  0.21,  0.05)
172:     angle   (-69.663,   5.775,  52.412)  (-69.652,   5.785,  52.422)  ( 0.02,  0.16,  0.02)
172:     torsion ( -1.456,   7.503,   9.639)  ( -1.456,   7.503,   9.639)  ( 0.02,  0.00,  0.00)
172:     vdw     ( -0.624,  -0.601,   0.136)  ( -0.624,  -0.601,   0.136)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 29       (178.239,  59.859, -17.444)  (178.282,  59.908, -17.395)  ( 0.02,  0.08,  0.28)
172:     bond    (128.215,  58.142, -25.742)  (128.248,  58.180, -25.705)  ( 0.03,  0.07,  0.14)
172:     angle   ( 48.331,  15.984,  17.772)  ( 48.341,  15.995,  17.783)  ( 0.02,  0.07,  0.07)
172:     torsion ( -3.523,  -9.583,   6.545)  ( -3.523,  -9.583,   6.545)  ( 0.00,  0.00,  0.00)
172:     vdw     (  5.216,  -4.685, -16.019)  (  5.216,  -4.685, -16.019)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 30       (-425.815,  33.516, -847.680)  (-425.779,  33.549, -847.604)  ( 0.01,  0.10,  0.01)
172:     bond    (-248.539, 199.821, -757.719)  (-248.512, 199.849, -757.651)  ( 0.01,  0.01,  0.01)
172:     angle   (-200.524, -157.469, -57.618)  (-200.516, -157.463, -57.611)  ( 0.00,  0.00,  0.01)
172:     torsion (  5.066,  -6.424,   2.469)  (  5.066,  -6.424,   2.469)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 17.443,  -2.235, -30.948)  ( 17.444,  -2.235, -30.947)  ( 0.00,  0.00,  0.00)
172:     electro (  0.739,  -0.178,  -3.864)  (  0.739,  -0.178,  -3.864)  ( 0.00,  0.00,  0.00)
172: 31       ( 89.548, -195.391, 508.761)  ( 89.554, -195.371, 508.809)  ( 0.01,  0.01,  0.01)
172:     bond    (-48.172, -271.651, 450.146)  (-48.169, -271.632, 450.194)  ( 0.01,  0.01,  0.01)
172:     angle   (132.809,  73.117,  58.328)  (132.813,  73.118,  58.328)  ( 0.00,  0.00,  0.00)
172:     torsion (  0.761,  -1.047,  -0.550)  (  0.761,  -1.047,  -0.550)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.864,   4.131,   0.125)  (  3.864,   4.131,   0.125)  ( 0.00,  0.00,  0.00)
172:     electro (  0.286,   0.059,   0.714)  (  0.286,   0.059,   0.714)  ( 0.00,  0.00,  0.00)
172: 32       (488.893, 102.091,  99.940)  (488.908, 102.091,  99.964)  ( 0.00,  0.00,  0.02)
172:     bond    (211.229,   6.631, 313.253)  (211.237,   6.629, 313.272)  ( 0.00,  0.02,  0.01)
172:     angle   ( 68.266,  79.408, -47.714)  ( 68.268,  79.410, -47.713)  ( 0.00,  0.00,  0.00)
172:     torsion ( -3.055,   4.182,   1.971)  ( -3.055,   4.182,   1.971)  ( 0.00,  0.00,  0.00)
172:     vdw     (212.452,  11.871, -167.570)  (212.458,  11.870, -167.567)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 33       ( 45.088, 208.770, -23.706)  ( 45.090, 208.818, -23.678)  ( 0.01,  0.02,  0.12)
172:     bond    ( 16.304, 200.345,  -7.007)  ( 16.306, 200.392,  -6.985)  ( 0.01,  0.02,  0.31)
172:     angle   ( 41.809,   0.611, -15.434)  ( 41.811,   0.613, -15.429)  ( 0.01,  0.10,  0.04)
172:     torsion (-15.671,   2.926,  -2.202)  (-15.672,   2.926,  -2.202)  ( 0.01,  0.00,  0.00)
172:     vdw     (  5.020,   3.888,   1.339)  (  5.021,   3.888,   1.339)  ( 0.00,  0.00,  0.00)
172:     electro ( -2.375,   0.999,  -0.401)  ( -2.375,   0.999,  -0.401)  ( 0.00,  0.00,  0.00)
172: 34       (355.299,  31.343, -78.600)  (355.346,  31.349, -78.570)  ( 0.01,  0.02,  0.04)
172:     bond    (311.200,  51.966, -29.253)  (311.243,  51.969, -29.228)  ( 0.01,  0.01,  0.09)
172:     angle   ( 33.558,   7.472, -51.143)  ( 33.561,   7.474, -51.139)  ( 0.01,  0.03,  0.01)
172:     torsion (  6.518, -34.470,  -2.904)  (  6.518, -34.469,  -2.904)  ( 0.00,  0.00,  0.00)
172:     vdw     (  1.574,   5.965,   4.845)  (  1.574,   5.965,   4.845)  ( 0.01,  0.00,  0.00)
172:     electro (  2.450,   0.409,  -0.145)  (  2.450,   0.409,  -0.145)  ( 0.00,  0.00,  0.00)
172: 35       ( 13.120,  -4.680,  -3.985)  ( 13.149,  -4.674,  -3.983)  ( 0.22,  0.11,  0.04)
173:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
173:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
173:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
173:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
173:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
173:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
173: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
173:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
173:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
173:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
173:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
173: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
173:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
173:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
173:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
173:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
173: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
173:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
173:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
173:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
173:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
173:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
173: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
173:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
173:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
173:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
173:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
173:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
173: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
173:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
173:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
173:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
173:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
173:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
173: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
173:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
173:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
173:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
173:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
173:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
173: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
173:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
173:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
173:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
173:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
173:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
173: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
173:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
173:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
173:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
173:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
173:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
173:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
173: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
173:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
173:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
173:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
173:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
173:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
173:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
173: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
173:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
173:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
173:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
173:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
173: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
173:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
173:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
173:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
173:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
173: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
173:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
173:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
173:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
173:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
173:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
173:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
173:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
173:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
173:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
173:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
173:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
173:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
173:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
173:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
173:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
173:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
173:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
173:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
173:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
173:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
173:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
173:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
173:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
173:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
173:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
173:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
173:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
173:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
173:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
173:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
173:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
173:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
173:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
173:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
173:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
173:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
173: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
173:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
173:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
173:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
173:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
173: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
173:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
173:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
173:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
173: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
173:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
173:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
173:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
173: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
173:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
173:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
173:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
173:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
173:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
173: ok 2 # gradients 
173: ok 3 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
173:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
173:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
173:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
173:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
173:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
173:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
173:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
173:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
173:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
173:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
173:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
173:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
173:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
173:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
173:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
173:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
173:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
173:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
173:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
173:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
173:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
173:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
173:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
173:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
173:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
173:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
173:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
173:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
173:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
173: ok 4 # gradients 
173: ok 5 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( -0.124,   0.344,  -0.637)  ( -0.119,   0.347,  -0.633)  ( 0.06,  0.09,  0.26)
173:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
173:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
173:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
173:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
173:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
173:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
173:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
173:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
173:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
173:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.084,  -0.011,   0.022)  ( -0.082,  -0.014,   0.025)  ( 0.02,  0.00,  0.01)
173:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
173:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
173:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
173:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
173:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
173:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
173:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
173:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
173:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
173:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
173:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
173:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       (  0.018,   0.028,  -0.035)  (  0.020,   0.006,  -0.045)  ( 0.00,  0.06,  0.03)
173:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
173:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
173:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
173:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
173:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
173:  6       (  0.021,   0.003,  -0.007)  (  0.026,  -0.014,  -0.016)  ( 0.01,  0.01,  0.01)
173:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
173:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
173:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
173:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
173:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
173:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
173:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
173:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
173:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
173:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
173:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
173:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
173:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
173:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 6 # gradients 
173: ok 7 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
173:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
173:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
173:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
173:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
173:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
173:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
173:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
173:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
173:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
173:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
173:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
173:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
173:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
173:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
173:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
173:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
173:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
173:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
173:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
173:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
173:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
173:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
173:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
173:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
173:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
173:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
173:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
173:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
173:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
173:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
173:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
173: ok 8 # gradients 
173: ok 9 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
173:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
173:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
173:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
173:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
173:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
173:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
173:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
173:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
173:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
173:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
173:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
173:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
173:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
173:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
173:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
173:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
173:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
173:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
173:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
173:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
173:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
173:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
173:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
173:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
173:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
173:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
173:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
173:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
173:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
173:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
173:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
173:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
173:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
173:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
173:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
173:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
173:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
173:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
173:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
173:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
173:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
173:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
173:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 10 # gradients 
173: ok 11 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
173:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
173:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
173:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
173:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
173:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
173:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
173:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
173:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
173:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
173:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
173:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
173:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
173:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
173:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
173:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
173:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
173:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
174:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
174:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
174:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
174: ok 4 # gradients 
174: ok 5 # energy 
174: ----------------------------------------------------------------------------------------
174:                                                                                         
174:   VALIDATE GRADIENTS : fiybiy.xyz
174:                                                                                         
174:                                                                                         
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
174:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
174:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
174:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
174:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
174:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
174:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
174:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
174:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
174:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
174:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
174:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
174:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
174:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
174:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
174:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
174:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
174:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
174:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
174:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
174:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
174:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
174:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
174:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
174:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
174:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
174:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
174:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
174:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
174:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
174:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
174:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
174:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
174:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
174:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
174:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
174:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
174:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
174:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
174:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
174:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
174:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
174:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
174:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
174:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
174:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
174:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
174:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
174:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
174:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
174:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
174:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
174:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
174:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
174:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
174:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
174:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
174:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
174:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
174:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
174:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
174:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
174:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
174:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
174: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
174:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
174:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
174:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
174:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
174:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
174:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
174: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
174:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
174:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
174:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
174:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
174:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
174:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
174:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
174: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
174:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
174:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
174:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
174:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
174:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
174:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
174:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
174: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
174:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
174:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
174:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
174:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
174:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
174: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
174:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
174:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
174:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
174:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
174:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
174: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
174:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
174:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
174:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
174:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
174:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
174:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
174:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
174:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
174:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
174: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
174:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
174:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
174:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
174:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
174:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
174:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
174: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
174:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
174:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
174:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
174:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
174:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
174: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
174:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
174:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
174:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
174:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
174:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
174: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
174:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
174:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
174:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
174:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
174:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
174:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
174: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
174:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
174:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
174:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
174:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
174:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
174:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
174:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
174:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
174:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
174:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
174:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
174:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
174:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
174:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
174:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
174:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
174:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
174:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
174:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
174:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 6 # gradients 
174: ok 7 # energy 
174: ----------------------------------------------------------------------------------------
174:                                                                                         
174:   VALIDATE GRADIENTS : fizgok.xyz
174:                                                                                         
174:                                                                                         
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
174:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
174:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
174:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
174:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
174:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
174:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
174:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
174:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
174:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
174:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
174:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
174:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
174:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
174:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
174:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
174:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
174:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
174:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
174:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
174:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
174:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
174:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
174:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
174:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
174:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
174:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
174:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
174:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
174:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
174:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
174:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
174:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
174:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
174:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
174:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
174:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
174:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
174:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
174:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
174:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
174:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
174:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
174:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
174:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
174:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
174:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
174:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
174:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
174:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
174:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
174:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
174:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
174:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
174:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
174:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
174:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
174:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
174: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
174:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
174:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
174:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
174:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
174:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
174:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
174: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
174:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
174:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
174:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
174:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
174:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
174: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
174:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
174:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
174:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
174:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
174:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
174:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
174: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
174:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
174:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
174:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
174:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
174:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
174: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
174:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
174:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
174:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
174:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
174:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
174: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
174:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
174:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
174:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
174:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
174:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
174:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
174:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
174:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
174: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
174:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
174:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
174:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
174:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
174:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
174:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
174:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
174:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
174:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
174:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
174:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
174:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
174:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
174:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 8 # gradients 
174: ok 9 # energy 
174: ----------------------------------------------------------------------------------------
174:                                                                                         
174:   VALIDATE GRADIENTS : semdix.xyz
174:                                                                                         
174:                                                                                         
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
174:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
174:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
174:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
174:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
174:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
174:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
174:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
174:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
174:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
174:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
174:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
174:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
174:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
174:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
174:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
174:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
174:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
174:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
174:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
174:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
174:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
174:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
174:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
174:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
174:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
174:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
174:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
174:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
174:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
174:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
174:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
174:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
174:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
174:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
174:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
174:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
174:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
174:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
174:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
174:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
174:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
174:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
174:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
174:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
174:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
174:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
174: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
174:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
174:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
174:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
174:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
174:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
174:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
174:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
174:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
174:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
174: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
174:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
174:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
174:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
174:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
174:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
174:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
174:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
174:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
174:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
174:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
174:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
174:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
174:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
174:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
174:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
174:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
174:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
174:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
174:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
174:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
174:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
174:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
174:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
174:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
174:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
174:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
174:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
174:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
174:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
174:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
174:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
174:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
174:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
174:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
174:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
174:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
174:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
174:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
174:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
174:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
174:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
174:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
174:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
174:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
174:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
174:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 10 # gradients 
174: ok 11 # energy 
174: ----------------------------------------------------------------------------------------
174:                                                                                         
174:   VALIDATE GRADIENTS : surdox02.xyz
174:                                                                                         
174:                                                                                         
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
175:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
175:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
175:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
175:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
175:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
175:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
175: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
175:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
175:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
175:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
175:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
175: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
175:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
175:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
175:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
175: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
175:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
175:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
175:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
175:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
175:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
175: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
175:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
175:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
175:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
175:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
175: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
175:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
175:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
175:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
175:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
175: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
175:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
175:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
175:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
175:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
175: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
175:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
175:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
175:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
175: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
175:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
175:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
175:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
175:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
175: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
175:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
175:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
175:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
175:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
175:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
175: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
175:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
175:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
175:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
175:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
175: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
175:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
175:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
175:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
175:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
175: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
175:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
175:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
175:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
175:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
175:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
175:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
175:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
175:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
175:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
175:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
175:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
175:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
175:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
175:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
175:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
175:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
175:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
175:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
175:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
175:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
175:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
175:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
175:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
175:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
175: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
175:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
175:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
175:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
175:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
175: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
175:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
175:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
175: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
175:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
175:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
175: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
175:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
175:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
175:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
175:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
175: ok 2 # gradients 
175: ok 3 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
175:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
175:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
175:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
175:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
175:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
175:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
175:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
175:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
175:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
175:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
175:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
175:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
175:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
175:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
175:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
175:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
175:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
175:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
175:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
175:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
175:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
175:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
175:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
175:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
175: ok 4 # gradients 
175: ok 5 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.272,   0.975,  -1.711)  ( -0.266,   0.978,  -1.706)  ( 0.14,  0.26,  0.24)
175:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
175:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
175:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
175:     torsion ( -0.109,   0.451,  -0.803)  ( -0.109,   0.451,  -0.803)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
175:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
175:  2       (  0.141,  -0.327,   0.169)  (  0.149,  -0.299,   0.191)  ( 0.11,  0.92,  0.37)
175:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
175:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
175:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
175:     torsion (  0.021,  -0.143,   0.129)  (  0.021,  -0.143,   0.129)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.137,  -0.079)  ( -0.000,  -0.113,  -0.065)  ( 0.00,  0.34,  0.11)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.084,  -0.016,   0.020)  ( -0.082,  -0.019,   0.022)  ( 0.02,  0.00,  0.01)
175:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
175:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,  -0.057,  -0.033)  (  0.000,  -0.056,  -0.033)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
175:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
175:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.054,   0.575,   0.361)  ( -0.045,   0.530,   0.340)  ( 0.05,  2.57,  0.74)
175:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
175:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
175:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
175:     torsion (  0.002,   0.488,   0.281)  (  0.002,   0.488,   0.281)  ( 0.00,  0.02,  0.00)
175:     oop     ( -0.000,   0.284,   0.162)  ( -0.000,   0.237,   0.135)  ( 0.00,  1.33,  0.44)
175:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (  0.018,  -0.203,  -0.165)  (  0.019,  -0.184,  -0.152)  ( 0.00,  0.39,  0.22)
175:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
175:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,  -0.219,  -0.125)  ( -0.003,  -0.219,  -0.125)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.099,  -0.056)  ( -0.000,  -0.081,  -0.046)  ( 0.00,  0.18,  0.06)
175:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
175:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
175:  6       (  0.023,  -0.205,  -0.126)  (  0.027,  -0.191,  -0.117)  ( 0.01,  0.28,  0.10)
175:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
175:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.154,  -0.090)  (  0.001,  -0.153,  -0.090)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.093,  -0.053)  (  0.001,  -0.079,  -0.045)  ( 0.00,  0.13,  0.04)
175:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
175:  7       (  0.008,  -0.187,   0.604)  (  0.009,  -0.184,   0.605)  ( 0.00,  0.06,  0.03)
175:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
175:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
175:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.043,  -0.004,   0.425)  (  0.043,  -0.004,   0.425)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       (  0.007,  -0.431,   0.471)  (  0.008,  -0.429,   0.474)  ( 0.00,  0.05,  0.12)
175:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
175:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.044,  -0.368,   0.213)  (  0.044,  -0.368,   0.213)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.179,  -0.203,   0.341)  (  0.180,  -0.202,   0.343)  ( 0.02,  0.02,  0.08)
175:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
175:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.005,   0.003)  ( -0.000,   0.005,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 6 # gradients 
175: ok 7 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
175:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
175:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
175:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
175:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
175:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
175:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
175:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
175:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
175:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
175:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
175:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
175:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
175:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
175:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
175:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
175:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
175:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
175:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
175:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
175:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
175:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
175:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
175:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
175:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
175:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
175:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
175:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
175:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
175:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
175: ok 8 # gradients 
175: ok 9 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
175:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
175:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
175:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
175:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
175:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
175:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
175:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
175:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
175:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
175:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
175:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
175:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
175:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
175:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
175:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
175:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
175:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
175:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
175:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
175:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
175:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
175:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
175:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
175:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
175:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
175:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
175:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
175:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 10 # gradients 
175: ok 11 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
175:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
175:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
175:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
175:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
175:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
175:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
175:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
175:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
175:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
175:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
175:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
175:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
175:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
176:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
176:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
176:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
176:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
176:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
176:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
176:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
176:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
176:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
176:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
176:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
176:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
176:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
176:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
176:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
176:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
176:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
176:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
176: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
176:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
176:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
176:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
176:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
176:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
176: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
176:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
176:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
176:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
176:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
176: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
176:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
176:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
176: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
176:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
176:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
176:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
176:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
176:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
176:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
176:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
176:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
176:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
176:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
176:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
176:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
176:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
176:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
176:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
176:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
176:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
176:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
176:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
176:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
176:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
176:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
176:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
176: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
176:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
176:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
176:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
176:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
176: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
176:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
176:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
176:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
176: ok 4 # gradients 
176: ok 5 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : fiybiy.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
176:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
176:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
176:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
176:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
176:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
176:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
176:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
176:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
176:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
176:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
176:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
176:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
176:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
176:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
176:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
176:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
176:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
176:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
176:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
176:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
176:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
176:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
176:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
176:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
176:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
176:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
176:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
176:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
176:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
176:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
176:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
176:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
176:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
176:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
176:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
176:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
176:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
176:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
176:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
176:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
176:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
176:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
176:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
176:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
176:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
176:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
176:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
176:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
176:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
176:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
176:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
176:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
176:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
176:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
176: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
176:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
176:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
176:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
176:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
176:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
176: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
176:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
176:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
176:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
176:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
176:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
176:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
176: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
176:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
176:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
176:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
176:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
176:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
176:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
176: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
176:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
176:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
176:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
176:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
176:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
176: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
176:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
176:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
176:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
176:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
176:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
176:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
176:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
176:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
176:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
176:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
176:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
176:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
176:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
176: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
176:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
176:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
176:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
176:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
176:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
176:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
176:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
176:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
176:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
176:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
176:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
176:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
176:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
176:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
176: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
176:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
176:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
176:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
176:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
176:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
176:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
176:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
176:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
176:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
176:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
176:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
176:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
176:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
176:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
176:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 6 # gradients 
176: ok 7 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : fizgok.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
176:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
176:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
176:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
176:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
176:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
176:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
176:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
176:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
176:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
176:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
176:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
176:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
176:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
176:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
176:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
176:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
176:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
176:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
176:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
176:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
176:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
176:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
176:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
176:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
176:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
176:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
176:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
176:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
176:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
176:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
176:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
176:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
176:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
176:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
176:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
176:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
176:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
176:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
176:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
176:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
176:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
176:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
176:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
176:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
176:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
176:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
176:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
176:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
176:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
176:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
176:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
176:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
176:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
176:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
176:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
176: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
176:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
176:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
176:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
176:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
176:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
176: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
176:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
176:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
176:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
176:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
176:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
176: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
176:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
176:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
176:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
176:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
176: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
176:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
176:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
176:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
176:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
176:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
176:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
176:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
176:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
176:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
176:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
176:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
176:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
176:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
176:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
176:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
176:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
176:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
176:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
176:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
176:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
176:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
176:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
176:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
176:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
176:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 8 # gradients 
176: ok 9 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : semdix.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
176:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
176:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
176:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
176:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
176:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
176:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
176:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
176:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
176:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
176:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
176:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
176:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
176:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
176:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
176:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
176:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
176:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
176:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
176:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
176:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
176:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
176:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
176:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
176:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
176:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
176:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
176:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
176:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
176:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
176:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
176:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
176:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
176:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
176:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
176:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
176:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
176:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
176:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
176:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
176:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
176:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
176:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
176:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
176:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
176:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
176:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
176:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
176:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
176:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
176:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
176:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
176:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
176:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
176: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
176:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
176:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
176:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
176:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
176:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
176:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
176:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
176:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
176:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
176:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
176:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
176:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
176:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 1 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : 
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
177:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
177:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
177:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
177:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
177:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
177:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
177:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
177:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
177:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
177:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
177:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
177:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
177:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
177:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
177:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
177:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
177:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
177:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
177:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
177:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
177:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
177:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
177:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
177:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
177:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
177:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
177:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
177:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
177:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
177:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
177:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
177:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
177:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
177:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
177:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
177:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
177:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
177:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
177:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
177:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
177:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
177:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
177:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
177:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
177:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
177:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
177:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
177:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
177:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
177:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
177:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
177: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
177:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
177:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
177:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
177:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
177:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
177: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
177:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
177:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
177:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
177:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
177:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
177:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
177: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
177:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
177:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
177:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
177:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
177:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
177:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
177: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
177:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
177:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
177:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
177:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
177: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
177:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
177:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
177:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
177: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
177:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
177:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
177:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
177:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
177:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
177: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
177:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
177:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
177:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
177:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
177: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
177:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
177:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
177:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
177:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
177: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
177:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
177:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
177:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
177:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
177: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
177:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
177:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
177:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
177: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
177:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
177:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
177:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
177:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
177: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
177:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
177:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
177:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
177:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
177:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
177: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
177:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
177:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
177:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
177:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
177: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
177:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
177:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
177:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
177:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
177: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
177:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
177:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
177:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
177:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
177:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
177:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
177:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
177:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
177:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
177:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
177:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
177:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
177:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
177:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
177:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
177:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
177:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
177:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
177:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
177:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
177:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
177:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
177:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
177:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
177: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
177:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
177:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
177:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
177:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
177: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
177:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
177:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
177: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
177:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
177:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
177: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
177:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
177:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
177:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
177: ok 2 # gradients 
177: ok 3 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  1.985,   1.075,   0.562)  (  1.994,   1.082,   0.564)  ( 0.43,  0.62,  0.10)
177:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
177:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
177:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
177:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.656,  -0.472,  -0.188)  ( -0.656,  -0.472,  -0.188)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
177:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
177:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
177:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
177:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  0.889,   0.122,   0.242)  (  0.890,   0.124,   0.242)  ( 0.13,  0.03,  0.01)
177:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
177:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.275,   0.006,  -0.072)  ( -0.275,   0.006,  -0.072)  ( 0.00,  0.00,  0.00)
177:  4       (  0.533,  -0.554,   0.119)  (  0.534,  -0.551,   0.119)  ( 0.07,  0.16,  0.00)
177:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
177:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
177:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.198,   0.228,  -0.045)  ( -0.198,   0.228,  -0.045)  ( 0.00,  0.00,  0.00)
177:  5       ( -1.377,  -1.164,  -0.402)  ( -1.376,  -1.161,  -0.402)  ( 0.09,  0.26,  0.01)
177:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
177:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
177:     electro (  0.472,   0.351,   0.136)  (  0.472,   0.351,   0.136)  ( 0.00,  0.00,  0.00)
177:  6       ( -2.292,  -0.999,  -0.620)  ( -2.286,  -0.988,  -0.619)  ( 0.27,  1.07,  0.09)
177:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
177:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
177:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
177:     electro (  0.894,   0.243,   0.244)  (  0.894,   0.243,   0.244)  ( 0.00,  0.00,  0.00)
177:  7       (  0.265,   0.865,   0.092)  (  0.269,   0.873,   0.093)  ( 0.11,  0.67,  0.01)
177:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
177:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.237,  -0.356,  -0.074)  ( -0.237,  -0.356,  -0.074)  ( 0.00,  0.00,  0.00)
177: ok 4 # gradients 
177: ok 5 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  0.639,   0.075,  -0.164)  (  0.645,   0.078,  -0.160)  ( 0.33,  0.02,  0.07)
177:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
177:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
177:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
177:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
177:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.255,   0.090,  -0.157)  ( -0.255,   0.090,  -0.157)  ( 0.00,  0.00,  0.00)
177:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
177:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
177:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
177:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
177:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -2.634,   4.586,  -7.960)  ( -2.632,   4.583,  -7.958)  ( 0.10,  0.07,  0.03)
177:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
177:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
177:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
177:     electro (  0.850,  -1.532,   2.661)  (  0.850,  -1.532,   2.661)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
177:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
177:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
177:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
177:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
177:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
177:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.729,  -1.632,   2.845)  ( -0.727,  -1.654,   2.835)  ( 0.10,  1.35,  0.35)
177:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
177:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
177:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
177:     electro (  0.249,   0.553,  -0.960)  (  0.249,   0.553,  -0.960)  ( 0.00,  0.00,  0.00)
177:  6       (  2.555,  -2.666,   4.624)  (  2.560,  -2.683,   4.614)  ( 0.20,  0.63,  0.20)
177:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
177:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
177:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.845,   0.890,  -1.543)  ( -0.845,   0.890,  -1.543)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
177:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
177:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
177:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
177:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
177:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
177:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
177:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 6 # gradients 
177: ok 7 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  2.140,  -0.166,   0.754)  (  2.145,  -0.160,   0.760)  ( 0.24,  0.10,  0.43)
177:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
177:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
177:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
177:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.570,   0.183,  -0.250)  ( -0.570,   0.183,  -0.250)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
177:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
177:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
177:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
177:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
177:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
177:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
177:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
177:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
177:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
177:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
177:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
177:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
177:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
177:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
177:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
177:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
177:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       ( -2.349,   0.240,  -0.842)  ( -2.356,   0.262,  -0.794)  ( 0.32,  0.54,  4.02)
177:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
177:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
177:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
177:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
177:     electro (  0.727,  -0.117,   0.266)  (  0.727,  -0.117,   0.266)  ( 0.00,  0.00,  0.00)
177:  8       (  0.435,  -0.189,   0.589)  (  0.427,  -0.172,   0.621)  ( 0.38,  0.32,  1.92)
177:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
177:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
177:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.157,  -0.066,  -0.016)  ( -0.157,  -0.066,  -0.016)  ( 0.00,  0.00,  0.00)
177: ok 8 # gradients 
177: ok 9 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
177:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
177:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
177:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
177:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
177:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
177:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
177:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
177:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
177:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
177:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
177:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
177:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
177:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
177:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
177:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
177:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
177:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
177:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
162/219 Test #178: test_ffmmff94_6 ..................   Passed    8.03 sec
test 194
        Start 194: test_pdbreadfile_2
194: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "2"
194: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
194: Environment variables: 
194:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
194:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
194: Test timeout computed to be: 6000
179:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
179:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
179:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
179:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
179:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
179:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
179:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
179:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
179:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
179:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
179:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
179:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
179:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
179:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
179:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
179:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
179:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
179:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
179:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
179:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
179:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
179:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
179:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
179:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
179:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
179:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
179:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
179:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
179:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
179:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 2 # gradients 
179: ok 3 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  1.733,  15.535,  -2.708)  (  1.768,  15.569,  -2.688)  ( 2.02,  0.22,  0.73)
179:     bond    ( 36.601,  -0.298,   9.660)  ( 36.629,  -0.276,   9.662)  ( 0.08,  0.65,  0.02)
179:     angle   (-34.951,  16.312,  -8.707)  (-34.945,  16.324,  -8.707)  ( 0.02,  0.07,  0.00)
179:     torsion (  0.899,   0.109,  -3.428)  (  0.900,   0.109,  -3.411)  ( 0.10,  0.00,  0.49)
179:     oop     ( -0.001,  -0.000,   0.001)  ( -0.000,  -0.000,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.816,  -0.587,  -0.234)  ( -0.816,  -0.587,  -0.234)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (151.770, -56.591, -673.348)  (153.483, -56.550, -652.718)  ( 1.13,  0.07,  3.06)
179:     bond    (-73.273, -40.784, -20.641)  (-73.245, -40.761, -20.639)  ( 0.04,  0.06,  0.01)
179:     angle   ( 49.771, -31.536,  12.075)  ( 49.779, -31.523,  12.077)  ( 0.02,  0.04,  0.02)
179:     torsion (175.271,  15.729, -664.778)  (176.947,  15.734, -644.154)  ( 0.96,  0.03,  3.10)
179:     oop     (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( 11.806,  -5.798,   2.973)  ( 11.813,  -5.787,   2.977)  ( 0.06,  0.19,  0.14)
179:     bond    (  2.228,   3.391,   0.698)  (  2.233,   3.401,   0.698)  ( 0.20,  0.30,  0.03)
179:     angle   ( 13.563,  -9.579,   3.275)  ( 13.565,  -9.578,   3.275)  ( 0.02,  0.01,  0.00)
179:     torsion ( -0.011,  -0.001,   0.038)  ( -0.011,  -0.001,   0.041)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.974,   0.392,  -1.037)  ( -3.974,   0.392,  -1.037)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( 14.242,   5.943,   3.893)  ( 14.248,   5.955,   3.897)  ( 0.04,  0.21,  0.10)
179:     bond    (  3.136,  -6.002,   0.637)  (  3.139,  -5.991,   0.637)  ( 0.10,  0.19,  0.01)
179:     angle   ( 22.453,  12.440,   6.327)  ( 22.455,  12.441,   6.327)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.013,   0.002,  -0.055)  (  0.014,   0.002,  -0.052)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-11.361,  -0.496,  -3.015)  (-11.361,  -0.496,  -3.015)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-17.209, -11.517,  -0.591)  (-17.203, -11.504,  -0.586)  ( 0.04,  0.11,  0.32)
179:     bond    (  0.266,  -0.558,   0.053)  (  0.269,  -0.546,   0.054)  ( 0.08,  0.66,  0.00)
179:     angle   (-20.390, -10.603,  -5.721)  (-20.387, -10.602,  -5.720)  ( 0.01,  0.01,  0.00)
179:     torsion ( -1.066,  -0.129,   4.031)  ( -1.065,  -0.129,   4.036)  ( 0.03,  0.00,  0.13)
179:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.981,  -0.227,   1.044)  (  3.981,  -0.227,   1.044)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-372.179,  47.701, 1341.442)  (-363.825,  47.767, 1443.549)  ( 2.24,  0.14,  7.61)
179:     bond    ( 44.275,  62.791,  13.700)  ( 44.295,  62.831,  13.702)  ( 0.04,  0.06,  0.01)
179:     angle   (-26.067,  19.537,  -6.133)  (-26.059,  19.542,  -6.123)  ( 0.03,  0.02,  0.15)
179:     torsion (-401.951, -35.014, 1330.809)  (-393.626, -34.991, 1432.904)  ( 2.07,  0.07,  7.67)
179:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.565,   0.386,   3.065)  ( 11.565,   0.386,   3.065)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (197.185,   4.513, -825.382)  (199.717,   4.550, -794.431)  ( 1.28,  0.80,  3.75)
179:     bond    (-13.334, -18.685,  -4.116)  (-13.320, -18.657,  -4.115)  ( 0.11,  0.15,  0.04)
179:     angle   ( -4.410,   3.395,  -1.131)  ( -4.408,   3.396,  -1.128)  ( 0.04,  0.03,  0.25)
179:     torsion (214.325,  19.270, -820.312)  (216.841,  19.277, -789.365)  ( 1.17,  0.04,  3.77)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.604,   0.534,   0.177)  (  0.604,   0.534,   0.177)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 4 # gradients 
179: ok 5 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( 40.034,  81.741, -137.730)  ( 40.064,  81.759, -137.705)  ( 0.07,  0.02,  0.02)
179:     bond    ( 80.618,   6.003, -10.147)  ( 80.638,   6.021, -10.129)  ( 0.02,  0.30,  0.18)
179:     angle   (-26.047,  65.441, -112.824)  (-26.038,  65.449, -112.813)  ( 0.04,  0.01,  0.01)
179:     torsion ( -0.314,   2.650,  -1.502)  ( -0.314,   2.652,  -1.500)  ( 0.00,  0.10,  0.13)
179:     oop     ( -0.000,   0.071,   0.042)  ( -0.000,   0.060,   0.035)  ( 0.00,  0.08,  0.03)
179:     vdw     (-14.222,   7.576, -13.299)  (-14.222,   7.576, -13.299)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-77.104, -139.691, 232.139)  (-77.049, -139.571, 232.243)  ( 0.07,  0.09,  0.04)
179:     bond    ( 24.274, -26.329,  45.326)  ( 24.304, -26.317,  45.362)  ( 0.12,  0.05,  0.08)
179:     angle   (-101.417, -109.290, 188.550)  (-101.392, -109.285, 188.561)  ( 0.02,  0.00,  0.01)
179:     torsion (  0.039,  -3.547,  -1.434)  (  0.039,  -3.539,  -1.431)  ( 0.00,  0.23,  0.20)
179:     oop     ( -0.000,  -0.525,  -0.303)  ( -0.000,  -0.430,  -0.249)  ( 0.00,  5.00,  1.64)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-31.877,  -2.025,   1.109)  (-31.862,  -2.034,   1.121)  ( 0.05,  0.45,  1.05)
179:     bond    (-14.354, -14.094,  24.209)  (-14.347, -14.088,  24.229)  ( 0.05,  0.05,  0.08)
179:     angle   (-20.650,   5.239,  -9.179)  (-20.642,   5.239,  -9.177)  ( 0.04,  0.01,  0.02)
179:     torsion (  0.001,  -1.001,  -0.581)  (  0.001,  -0.999,  -0.580)  ( 0.00,  0.22,  0.04)
179:     oop     ( -0.000,   0.093,   0.054)  ( -0.000,   0.075,   0.043)  ( 0.00,  0.17,  0.06)
179:     vdw     (  3.126,   7.739, -13.395)  (  3.126,   7.739, -13.395)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( 95.636, 128.805, -196.780)  ( 95.687, 128.644, -196.844)  ( 0.05,  0.13,  0.03)
179:     bond    (-89.693,  75.277, -132.994)  (-89.659,  75.286, -132.965)  ( 0.04,  0.01,  0.02)
179:     angle   (173.432,  42.177, -72.645)  (173.448,  42.180, -72.637)  ( 0.01,  0.01,  0.01)
179:     torsion (  0.082,  11.261,   6.468)  (  0.082,  11.270,   6.471)  ( 0.00,  0.08,  0.05)
179:     oop     ( -0.002,   1.098,   0.628)  ( -0.002,   0.916,   0.524)  ( 0.00, 16.58,  6.55)
179:     vdw     ( 11.817,  -1.008,   1.764)  ( 11.817,  -1.008,   1.764)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-61.047, -45.589,  66.224)  (-61.039, -45.512,  66.279)  ( 0.01,  0.17,  0.08)
179:     bond    (-38.907, -40.200,  71.261)  (-38.903, -40.195,  71.275)  ( 0.01,  0.01,  0.02)
179:     angle   (-37.911,   9.172, -15.518)  (-37.907,   9.172, -15.518)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.075,  -6.078,  -3.468)  ( -0.075,  -6.075,  -3.467)  ( 0.00,  0.04,  0.02)
179:     oop     ( -0.001,  -0.383,  -0.216)  ( -0.000,  -0.313,  -0.177)  ( 0.00,  2.70,  0.86)
179:     vdw     ( 15.846,  -8.100,  14.165)  ( 15.846,  -8.100,  14.166)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( 90.579, -16.110,  22.603)  ( 90.602, -16.055,  22.637)  ( 0.03,  0.34,  0.15)
179:     bond    ( 82.156,   3.085,  -4.208)  ( 82.179,   3.085,  -4.208)  ( 0.03,  0.01,  0.01)
179:     angle   (  1.185,  -9.564,  16.125)  (  1.185,  -9.562,  16.129)  ( 0.00,  0.01,  0.02)
179:     torsion (  0.017,  -2.241,  -1.310)  (  0.017,  -2.239,  -1.309)  ( 0.00,  0.08,  0.05)
179:     oop     (  0.003,  -0.360,  -0.206)  (  0.003,  -0.308,  -0.176)  ( 0.00,  1.90,  0.62)
179:     vdw     (  7.218,  -7.031,  12.201)  (  7.218,  -7.031,  12.201)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (-15.415, -45.825,   3.849)  (-15.412, -45.812,   3.852)  ( 0.02,  0.03,  0.06)
179:     bond    (-12.697, -43.343,   0.901)  (-12.696, -43.331,   0.901)  ( 0.01,  0.03,  0.02)
179:     angle   (  3.867,  -1.050,   4.033)  (  3.869,  -1.050,   4.035)  ( 0.07,  0.02,  0.05)
179:     torsion (  0.147,  -0.013,   1.444)  (  0.147,  -0.013,   1.445)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.732,  -1.418,  -2.528)  ( -6.732,  -1.418,  -2.528)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (-15.654,  19.646,  41.522)  (-15.650,  19.651,  41.533)  ( 0.02,  0.02,  0.03)
179:     bond    (-12.853,  20.568,  38.148)  (-12.852,  20.570,  38.158)  ( 0.01,  0.01,  0.03)
179:     angle   (  3.943,  -2.997,   2.943)  (  3.946,  -2.995,   2.944)  ( 0.06,  0.05,  0.02)
179:     torsion (  0.102,  -0.850,   0.492)  (  0.102,  -0.850,   0.492)  ( 0.00,  0.04,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.846,   2.925,  -0.061)  ( -6.846,   2.925,  -0.061)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-25.346,  18.925, -33.125)  (-25.341,  18.930, -33.115)  ( 0.02,  0.03,  0.03)
179:     bond    (-18.667,  18.966, -32.631)  (-18.664,  18.968, -32.623)  ( 0.01,  0.01,  0.03)
179:     angle   (  3.528,   0.851,  -1.525)  (  3.530,   0.852,  -1.524)  ( 0.06,  0.14,  0.06)
179:     torsion (  0.000,  -0.208,  -0.121)  (  0.000,  -0.208,  -0.121)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.207,  -0.683,   1.153)  (-10.207,  -0.683,   1.153)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 6 # gradients 
179: ok 7 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-124.901, 251.533, -128.003)  (-124.865, 251.566, -127.974)  ( 0.03,  0.01,  0.02)
179:     bond    (-241.892, 155.872, -136.876)  (-241.868, 155.893, -136.855)  ( 0.01,  0.01,  0.02)
179:     angle   ( 70.553,  74.197,  -4.267)  ( 70.564,  74.208,  -4.258)  ( 0.02,  0.02,  0.22)
179:     torsion ( -4.351,   0.235,   7.936)  ( -4.351,   0.234,   7.936)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 50.789,  21.230,   5.204)  ( 50.790,  21.230,   5.204)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (103.796, -158.227,  60.957)  (103.798, -158.154,  61.078)  ( 0.00,  0.05,  0.20)
179:     bond    (177.662, -154.078, 115.966)  (177.695, -154.065, 115.971)  ( 0.02,  0.01,  0.00)
179:     angle   (-79.371,   2.427, -37.672)  (-79.369,   2.439, -37.667)  ( 0.00,  0.49,  0.01)
179:     torsion (  5.287,  -6.260, -16.624)  (  5.287,  -6.260, -16.625)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.219,  -0.317,  -0.712)  (  0.185,  -0.268,  -0.601)  ( 0.74,  1.57,  7.93)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( 21.862, -52.031, -15.008)  ( 21.866, -52.018, -15.006)  ( 0.02,  0.03,  0.02)
179:     bond    ( -1.880, -40.652,  -7.746)  ( -1.881, -40.638,  -7.745)  ( 0.01,  0.03,  0.00)
179:     angle   (-29.923,   3.090,  -8.952)  (-29.920,   3.090,  -8.950)  ( 0.01,  0.00,  0.03)
179:     torsion (  2.863,   0.677,  -4.249)  (  2.863,   0.677,  -4.249)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 50.802, -15.147,   5.939)  ( 50.803, -15.147,   5.938)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( 43.159,  11.809,  -5.068)  ( 43.170,  11.813,  -5.064)  ( 0.03,  0.03,  0.08)
179:     bond    ( 36.898,  15.124, -16.150)  ( 36.908,  15.126, -16.149)  ( 0.03,  0.01,  0.01)
179:     angle   (  6.027,  -6.123,   8.042)  (  6.028,  -6.120,   8.044)  ( 0.02,  0.04,  0.03)
179:     torsion (  0.162,   2.832,   3.024)  (  0.162,   2.831,   3.023)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.072,  -0.024,   0.017)  (  0.072,  -0.024,   0.017)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (  0.303,  -0.949,  47.273)  (  0.306,  -0.946,  47.286)  ( 0.08,  0.24,  0.03)
179:     bond    ( -0.494,   7.245,  42.986)  ( -0.494,   7.245,  42.999)  ( 0.01,  0.00,  0.03)
179:     angle   ( -1.773,  -6.965,   1.153)  ( -1.770,  -6.962,   1.153)  ( 0.17,  0.04,  0.01)
179:     torsion ( -1.143,  -1.515,   0.242)  ( -1.143,  -1.515,   0.242)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.713,   0.287,   2.892)  (  3.714,   0.287,   2.892)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( 88.097, -104.739,  97.655)  ( 88.280, -104.887,  97.246)  ( 0.21,  0.14,  0.42)
179:     bond    ( 21.237, -20.013,  15.611)  ( 21.279, -19.990,  15.619)  ( 0.20,  0.12,  0.06)
179:     angle   (101.256, -103.551,  78.175)  (101.266, -103.532,  78.178)  ( 0.01,  0.02,  0.00)
179:     torsion ( -2.958,   4.240,  10.109)  ( -2.958,   4.240,  10.110)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.747,   1.091,   2.439)  ( -0.616,   0.902,   2.017)  ( 9.75, 17.37, 17.30)
179:     vdw     (-30.691,  13.494,  -8.679)  (-30.690,  13.494,  -8.679)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( 39.508,  46.688,  -7.338)  ( 39.476,  46.782,  -7.144)  ( 0.08,  0.20,  2.64)
179:     bond    (  9.695,  -4.494,   4.946)  (  9.718,  -4.489,   4.951)  ( 0.24,  0.11,  0.12)
179:     angle   ( 30.142,  50.853, -13.053)  ( 30.144,  50.859, -13.052)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.506,   0.733,   1.657)  ( -0.506,   0.733,   1.657)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.263,  -0.386,  -0.867)  (  0.206,  -0.303,  -0.679)  ( 1.49,  3.22, 16.24)
179:     vdw     ( -0.086,  -0.018,  -0.021)  ( -0.086,  -0.018,  -0.021)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (-171.999,   5.773, -50.556)  (-172.031,   5.844, -50.423)  ( 0.02,  1.23,  0.26)
179:     bond    ( -1.356,  40.905, -18.794)  ( -1.356,  40.918, -18.791)  ( 0.02,  0.03,  0.01)
179:     angle   (-96.949, -13.982, -23.449)  (-96.944, -13.981, -23.448)  ( 0.01,  0.00,  0.00)
179:     torsion (  0.647,  -0.940,  -2.094)  (  0.647,  -0.940,  -2.094)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.265,  -0.389,  -0.867)  (  0.225,  -0.331,  -0.737)  ( 1.04,  2.27, 11.28)
179:     vdw     (-74.605, -19.821,  -5.352)  (-74.603, -19.821,  -5.352)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 8 # gradients 
179: ok 9 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( 79.151, -113.281, 196.799)  ( 74.305, -106.332, 184.856)  ( 6.12,  6.13,  6.07)
179:     bond    (101.517, -143.650, 249.265)  (101.546, -143.623, 249.282)  ( 0.03,  0.02,  0.01)
179:     angle   (-32.943,  45.373, -78.416)  (-32.934,  45.383, -78.405)  ( 0.03,  0.02,  0.01)
179:     torsion ( -0.022,  -0.007,  -0.017)  ( -0.021,  -0.007,  -0.016)  ( 0.00,  0.00,  0.00)
179:     oop     ( 10.599, -14.997,  25.967)  (  5.714,  -8.085,  13.995)  (46.09, 46.09, 46.10)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-197.774,  -4.633,   7.852)  (-197.736,  -7.194,  12.372)  ( 0.02, 55.28, 57.56)
179:     bond    (-220.390,  -0.005,   0.000)  (-220.363,   0.015,   0.020)  ( 0.01,  0.01,  0.00)
179:     angle   ( -0.050, -17.052,  29.460)  ( -0.039, -17.041,  29.469)  ( 0.05,  0.06,  0.03)
179:     torsion (  0.000,   0.010,  -0.003)  (  0.000,   0.009,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   5.624,  -9.738)  (  0.000,   3.032,  -5.248)  ( 0.00, 46.09, 46.11)
179:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( 35.790, 182.731,   7.817)  ( 38.267, 181.903,  12.337)  ( 6.92,  0.45, 57.83)
179:     bond    ( 73.413, 207.701,  -0.104)  ( 73.434, 207.728,  -0.084)  ( 0.03,  0.01,  0.21)
179:     angle   ( 16.533,  -6.005,  29.483)  ( 16.544,  -5.994,  29.492)  ( 0.07,  0.18,  0.03)
179:     torsion (  0.009,  -0.004,   0.023)  (  0.010,  -0.003,   0.023)  ( 0.00,  0.00,  0.00)
179:     oop     ( -5.302,   1.878,  -9.738)  ( -2.858,   1.012,  -5.248)  (46.09, 46.09, 46.11)
179:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( 34.911, -98.106, -154.854)  ( 37.386, -101.529, -151.827)  ( 7.09,  3.49,  1.95)
179:     bond    ( 73.430, -103.943, -180.098)  ( 73.451, -103.921, -180.073)  ( 0.03,  0.02,  0.01)
179:     angle   ( 16.165, -22.410,  19.547)  ( 16.176, -22.400,  19.557)  ( 0.07,  0.05,  0.05)
179:     torsion ( -0.002,   0.009,  -0.006)  ( -0.001,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -5.297,   7.495,  -6.490)  ( -2.855,   4.040,  -3.498)  (46.10, 46.10, 46.10)
179:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( 31.635,  91.501,   0.054)  ( 31.641,  91.514,   0.056)  ( 0.02,  0.01,  0.01)
179:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
179:     angle   ( -0.323,  -0.114,  -0.029)  ( -0.320,  -0.113,  -0.027)  ( 0.10,  0.00,  0.01)
179:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-28.211, -39.950,  69.376)  (-28.206, -39.946,  69.386)  ( 0.02,  0.01,  0.01)
179:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
179:     angle   (  0.129,   0.063,   0.091)  (  0.132,   0.065,   0.091)  ( 0.04,  0.01,  0.01)
179:     torsion ( -0.000,   0.004,   0.002)  (  0.000,   0.004,   0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( 32.891, -45.899, -79.600)  ( 32.897, -45.895, -79.590)  ( 0.02,  0.01,  0.01)
179:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
179:     angle   (  0.224,   0.070,  -0.135)  (  0.227,   0.072,  -0.134)  ( 0.07,  0.01,  0.01)
179:     torsion ( -0.000,  -0.006,   0.004)  (  0.000,  -0.006,   0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( 81.326,  -9.585,  -5.836)  ( 81.340,  -9.581,  -5.834)  ( 0.02,  0.04,  0.04)
179:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
179:     angle   (  0.000,   0.398,  -0.043)  (  0.000,   0.401,  -0.041)  ( 0.00,  0.13,  0.01)
179:     torsion ( -0.000,  -0.000,  -0.002)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-38.408,  31.439,  64.243)  (-38.403,  31.445,  64.253)  ( 0.01,  0.02,  0.02)
179:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
179:     angle   (  0.071,  -0.115,   0.094)  (  0.073,  -0.112,   0.095)  ( 0.01,  0.03,  0.01)
179:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-37.054,  19.007, -66.658)  (-37.049,  19.013, -66.648)  ( 0.01,  0.03,  0.02)
179:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
179:     angle   (  0.061,  -0.204,  -0.143)  (  0.063,  -0.202,  -0.142)  ( 0.01,  0.05,  0.01)
179:     torsion (  0.007,  -0.002,  -0.004)  (  0.007,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       ( 81.329,   9.798,   5.419)  ( 81.343,   9.801,   5.423)  ( 0.02,  0.03,  0.06)
179:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
179:     angle   ( -0.000,  -0.204,  -0.290)  ( -0.000,  -0.202,  -0.287)  ( 0.00,  0.04,  0.09)
179:     torsion ( -0.000,   0.008,  -0.005)  ( -0.000,   0.008,  -0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-37.251,  48.145, -49.889)  (-37.247,  48.151, -49.878)  ( 0.01,  0.01,  0.02)
179:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
179:     angle   (  0.045,   0.152,   0.069)  (  0.047,   0.154,   0.070)  ( 0.01,  0.03,  0.01)
179:     torsion ( -0.009,  -0.006,   0.000)  ( -0.009,  -0.006,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-38.542, -71.364,   5.090)  (-38.538, -71.351,   5.094)  ( 0.01,  0.02,  0.07)
179:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
179:     angle   (  0.029,  -0.011,   0.258)  (  0.031,  -0.011,   0.261)  ( 0.01,  0.00,  0.08)
179:     torsion (  0.014,  -0.005,   0.009)  (  0.014,  -0.005,   0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 10 # gradients 
179: ok 11 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-459.477, 649.250, -1124.640)  (-425.030, 600.544, -1040.261)  ( 7.50,  7.50,  7.50)
179:     bond    (-267.083, 377.923, -654.760)  (-267.073, 377.932, -654.759)  ( 0.00,  0.00,  0.00)
179:     angle   (-117.641, 165.638, -286.837)  (-117.636, 165.643, -286.831)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.050,  -0.016,  -0.038)  ( -0.049,  -0.016,  -0.038)  ( 0.00,  0.00,  0.00)
179:     oop     (-74.704, 105.704, -183.005)  (-40.272,  56.984, -98.633)  (46.09, 46.09, 46.10)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (909.379, -95.010, 164.381)  (909.405, -76.714, 132.762)  ( 0.00, 19.26, 19.24)
179:     bond    (886.759,  -0.001,   0.004)  (886.777,   0.015,   0.020)  ( 0.00,  0.00,  0.01)
179:     angle   ( -0.046, -62.174, 107.620)  ( -0.038, -62.166, 107.627)  ( 0.04,  0.01,  0.01)
179:     torsion (  0.000,   0.022,  -0.008)  (  0.000,   0.022,  -0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000, -39.647,  68.632)  (  0.000, -21.376,  36.989)  ( 0.00, 46.09, 46.11)
179:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-248.852, -890.906, 164.380)  (-266.049, -884.780, 132.762)  ( 6.91,  0.69, 19.24)
179:     bond    (-296.159, -835.902,  -0.100)  (-296.142, -835.885,  -0.084)  ( 0.01,  0.00,  0.16)
179:     angle   ( 58.775, -20.921, 107.642)  ( 58.783, -20.913, 107.649)  ( 0.01,  0.04,  0.01)
179:     torsion (  0.022,  -0.008,   0.053)  (  0.023,  -0.008,   0.053)  ( 0.00,  0.00,  0.00)
179:     oop     ( 37.373, -13.235,  68.633)  ( 20.150,  -7.136,  36.989)  (46.09, 46.09, 46.11)
179:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (-249.014, 303.413, 853.488)  (-266.195, 327.787, 832.430)  ( 6.90,  8.03,  2.47)
179:     bond    (-295.509, 418.119, 723.951)  (-295.493, 418.136, 723.968)  ( 0.01,  0.00,  0.00)
179:     angle   ( 58.556, -82.647,  71.621)  ( 58.564, -82.640,  71.629)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.004,   0.020,  -0.014)  ( -0.003,   0.021,  -0.013)  ( 0.00,  0.00,  0.00)
179:     oop     ( 37.330, -52.822,  45.737)  ( 20.122, -28.473,  24.654)  (46.10, 46.10, 46.10)
179:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( 31.733,  91.536,   0.053)  ( 31.739,  91.548,   0.054)  ( 0.02,  0.01,  0.01)
179:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
179:     angle   ( -0.225,  -0.079,  -0.029)  ( -0.223,  -0.079,  -0.027)  ( 0.05,  0.00,  0.01)
179:     torsion ( -0.000,  -0.000,  -0.003)  (  0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-28.241, -39.940,  69.370)  (-28.237, -39.935,  69.380)  ( 0.01,  0.01,  0.01)
179:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
179:     angle   (  0.099,   0.069,   0.081)  (  0.101,   0.070,   0.082)  ( 0.02,  0.01,  0.01)
179:     torsion ( -0.000,   0.009,   0.005)  (  0.000,   0.009,   0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( 32.824, -45.896, -79.574)  ( 32.829, -45.891, -79.564)  ( 0.02,  0.01,  0.01)
179:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
179:     angle   (  0.157,   0.082,  -0.114)  (  0.159,   0.084,  -0.113)  ( 0.03,  0.01,  0.01)
179:     torsion ( -0.000,  -0.015,   0.009)  (  0.000,  -0.015,   0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( 81.326,  -9.696,  -5.838)  ( 81.340,  -9.693,  -5.836)  ( 0.02,  0.03,  0.05)
179:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
179:     angle   ( -0.000,   0.286,  -0.043)  (  0.000,   0.289,  -0.041)  ( 0.00,  0.07,  0.01)
179:     torsion ( -0.000,  -0.000,  -0.004)  (  0.000,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-38.399,  31.454,  64.238)  (-38.395,  31.459,  64.249)  ( 0.01,  0.02,  0.02)
179:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
179:     angle   (  0.079,  -0.100,   0.089)  (  0.081,  -0.098,   0.090)  ( 0.01,  0.02,  0.01)
179:     torsion (  0.000,  -0.000,   0.000)  (  0.001,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-37.018,  19.050, -66.648)  (-37.014,  19.056, -66.638)  ( 0.01,  0.03,  0.02)
179:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
179:     angle   (  0.088,  -0.157,  -0.127)  (  0.090,  -0.155,  -0.126)  ( 0.02,  0.03,  0.01)
179:     torsion (  0.016,  -0.006,  -0.010)  (  0.016,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       ( 81.329,   9.860,   5.501)  ( 81.343,   9.863,   5.504)  ( 0.02,  0.03,  0.05)
179:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
179:     angle   ( -0.000,  -0.153,  -0.202)  ( -0.000,  -0.151,  -0.199)  ( 0.00,  0.03,  0.05)
179:     torsion ( -0.000,   0.019,  -0.011)  ( -0.000,   0.019,  -0.011)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-37.250,  48.120, -49.904)  (-37.246,  48.125, -49.894)  ( 0.01,  0.01,  0.02)
179:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
179:     angle   (  0.058,   0.135,   0.054)  (  0.059,   0.137,   0.055)  ( 0.01,  0.02,  0.00)
179:     torsion ( -0.020,  -0.014,   0.000)  ( -0.020,  -0.014,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-38.494, -71.381,   5.049)  (-38.490, -71.368,   5.051)  ( 0.01,  0.02,  0.05)
179:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
179:     angle   (  0.058,  -0.021,   0.205)  (  0.060,  -0.021,   0.207)  ( 0.01,  0.00,  0.05)
179:     torsion (  0.033,  -0.012,   0.020)  (  0.033,  -0.012,   0.020)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 12 # gradients 
179: ok 13 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-23.613,  -2.210,   2.937)  (-23.569,  -2.180,   2.984)  ( 0.18,  1.36,  1.58)
179:     bond    ( 37.054, -12.937,  -8.013)  ( 37.079, -12.911,  -8.009)  ( 0.07,  0.20,  0.05)
179:     angle   (  8.962,  10.378,   2.516)  (  8.976,  10.387,   2.517)  ( 0.16,  0.08,  0.05)
179:     torsion (  0.413,  -0.973,   2.161)  (  0.413,  -0.970,   2.180)  ( 0.01,  0.23,  0.87)
179:     oop     ( -0.012,   0.041,  -0.132)  ( -0.010,   0.035,  -0.109)  ( 0.00,  0.03,  0.30)
179:     vdw     (-70.030,   1.280,   6.405)  (-70.028,   1.279,   6.405)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (  5.393,  18.793,  11.158)  (  5.423,  18.875,  11.055)  ( 0.56,  0.44,  0.92)
179:     bond    ( 33.675, -25.493, -10.735)  ( 33.703, -25.470, -10.732)  ( 0.08,  0.09,  0.03)
179:     angle   (  5.674, -17.005,  -6.268)  (  5.685, -16.993,  -6.267)  ( 0.19,  0.07,  0.03)
179:     torsion ( -0.145,  -0.448,   2.063)  ( -0.145,  -0.446,   2.082)  ( 0.00,  0.09,  0.93)
179:     oop     (  0.056,  -0.262,   0.769)  (  0.047,  -0.218,   0.643)  ( 0.05,  1.13,  9.71)
179:     vdw     (-33.868,  62.001,  25.328)  (-33.867,  62.002,  25.328)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  1.940,  56.571,  23.255)  (  1.997,  56.545,  23.470)  ( 2.94,  0.05,  0.92)
179:     bond    (-19.349, -52.993, -17.882)  (-19.321, -52.969, -17.878)  ( 0.14,  0.04,  0.02)
179:     angle   ( 19.610,  45.310,  15.043)  ( 19.622,  45.322,  15.044)  ( 0.06,  0.03,  0.01)
179:     torsion (  0.402,  -8.286,  20.372)  (  0.402,  -8.283,  20.392)  ( 0.01,  0.03,  0.10)
179:     oop     ( -0.091,   0.393,  -1.144)  ( -0.076,   0.328,  -0.954)  ( 0.14,  2.57, 16.66)
179:     vdw     (  1.369,  72.147,   6.866)  (  1.370,  72.148,   6.866)  ( 0.11,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (-27.138,  -3.592, -19.127)  (-27.058,  -4.344, -18.348)  ( 0.30, 20.92,  4.08)
179:     bond    (-50.594,  14.579,   8.252)  (-50.560,  14.605,   8.256)  ( 0.07,  0.18,  0.05)
179:     angle   (-30.588, -25.587,  20.635)  (-30.571, -25.572,  20.639)  ( 0.06,  0.06,  0.02)
179:     torsion ( -1.996,  13.629, -22.256)  ( -1.996,  13.632, -22.238)  ( 0.00,  0.02,  0.08)
179:     oop     ( -0.149,   3.849,  -3.856)  ( -0.122,   3.053,  -3.103)  ( 0.41, 20.67, 19.52)
179:     vdw     ( 56.189, -10.062, -21.902)  ( 56.191, -10.062, -21.902)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-31.880, -44.982,  35.045)  (-31.882, -44.749,  34.526)  ( 0.01,  0.52,  1.48)
179:     bond    (-40.420,  41.995,  21.806)  (-40.392,  42.018,  21.810)  ( 0.07,  0.06,  0.02)
179:     angle   (-15.456,  -7.499,  -1.323)  (-15.444,  -7.487,  -1.321)  ( 0.08,  0.16,  0.14)
179:     torsion (  4.465, -13.505,  34.153)  (  4.466, -13.502,  34.172)  ( 0.00,  0.02,  0.06)
179:     oop     (  0.262,  -1.152,   3.243)  (  0.219,  -0.958,   2.700)  ( 1.13, 16.82, 16.74)
179:     vdw     ( 19.269, -64.822, -22.834)  ( 19.270, -64.821, -22.833)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-12.291, -27.965, -12.989)  (-12.245, -27.951, -12.903)  ( 0.37,  0.05,  0.66)
179:     bond    ( 44.261,  36.517,   8.020)  ( 44.289,  36.540,   8.023)  ( 0.06,  0.06,  0.04)
179:     angle   (-13.442,  -1.258,   0.913)  (-13.431,  -1.246,   0.915)  ( 0.08,  0.94,  0.13)
179:     torsion ( -0.065,   2.436,  -2.077)  ( -0.065,   2.438,  -2.058)  ( 0.00,  0.09,  0.91)
179:     oop     ( -0.038,   0.156,  -0.397)  ( -0.032,   0.132,  -0.334)  ( 0.02,  0.39,  2.46)
179:     vdw     (-43.007, -65.816, -19.449)  (-43.007, -65.815, -19.449)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (-25.860,  -1.136, 338.779)  (-25.614,   0.247, 337.431)  ( 0.95, 121.78,  0.40)
179:     bond    ( 65.767, 140.323, 186.598)  ( 65.806, 140.339, 186.620)  ( 0.06,  0.01,  0.01)
179:     angle   (-41.279,  19.132,  42.502)  (-41.263,  19.142,  42.512)  ( 0.04,  0.05,  0.02)
179:     torsion (-46.293, -174.861, 111.475)  (-46.292, -174.854, 111.480)  ( 0.00,  0.00,  0.00)
179:     oop     ( -1.261,  -6.768,   7.409)  ( -1.070,  -5.418,   6.024)  (15.15, 19.95, 18.69)
179:     vdw     ( -2.796,  21.037,  -9.205)  ( -2.795,  21.038,  -9.205)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (  2.007, -141.218, -337.027)  (  1.906, -139.418, -337.650)  ( 5.02,  1.27,  0.18)
179:     bond    (-148.647, -41.584, -55.210)  (-148.617, -41.572, -55.173)  ( 0.02,  0.03,  0.07)
179:     angle   (150.718, -65.909, -63.785)  (150.744, -65.902, -63.775)  ( 0.02,  0.01,  0.02)
179:     torsion (-23.473,  13.213, -231.721)  (-23.472,  13.218, -231.720)  ( 0.00,  0.04,  0.00)
179:     oop     (  1.005, -10.683,   4.518)  (  0.847,  -8.909,   3.846)  (15.73, 16.60, 14.87)
179:     vdw     ( 22.404, -36.254,   9.172)  ( 22.405, -36.253,   9.172)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-40.105,  25.157, -120.469)  (-40.036,  24.105, -119.861)  ( 0.17,  4.18,  0.50)
179:     bond    ( 30.421, -42.975, -81.162)  ( 30.425, -42.968, -81.138)  ( 0.01,  0.02,  0.03)
179:     angle   (-97.973, -21.203, -25.506)  (-97.964, -21.203, -25.506)  ( 0.01,  0.00,  0.00)
179:     torsion ( -6.259, 116.531, -64.058)  ( -6.259, 116.532, -64.058)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.265,   5.425,  -2.973)  ( -0.209,   4.364,  -2.389)  ( 1.47, 19.56, 19.62)
179:     vdw     ( 33.971, -32.620,  53.230)  ( 33.972, -32.619,  53.231)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       ( 91.167,   5.416,  71.329)  ( 91.166,   4.769,  71.373)  ( 0.00, 11.95,  0.06)
179:     bond    (226.913, -56.230, -30.230)  (226.943, -56.204, -30.227)  ( 0.01,  0.05,  0.01)
179:     angle   (-194.316,  65.945, -70.440)  (-194.300,  65.958, -70.436)  ( 0.01,  0.02,  0.01)
179:     torsion ( 32.606, -18.848, 156.550)  ( 32.607, -18.846, 156.563)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.229,   4.708,  -0.230)  (  0.181,   4.020,  -0.205)  ( 1.09, 14.62,  0.56)
179:     vdw     ( 25.735,   9.840,  15.679)  ( 25.736,   9.841,  15.679)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (225.628, -206.652,  69.044)  (225.683, -206.423,  69.714)  ( 0.02,  0.11,  0.97)
179:     bond    ( 93.426, -53.532,   4.505)  ( 93.459, -53.503,   4.510)  ( 0.04,  0.05,  0.10)
179:     angle   (119.389, -90.859, 170.310)  (119.405, -90.843, 170.313)  ( 0.01,  0.02,  0.00)
179:     torsion ( 13.029, -48.793, -96.910)  ( 13.029, -48.791, -96.893)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.069,  -0.913,  -3.501)  ( -0.065,  -0.731,  -2.856)  ( 0.03, 16.60, 18.45)
179:     vdw     ( -0.146, -12.555,  -5.360)  ( -0.146, -12.555,  -5.360)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-93.468, -119.866,  38.940)  (-93.411, -119.855,  38.827)  ( 0.06,  0.01,  0.29)
179:     bond    (-186.226, -17.199,  -4.867)  (-186.184, -17.162,  -4.865)  ( 0.02,  0.21,  0.05)
179:     angle   (100.853, -104.886,  -7.299)  (100.869, -104.868,  -7.296)  ( 0.02,  0.02,  0.04)
179:     torsion ( -3.809,   9.448,  48.069)  ( -3.809,   9.448,  48.091)  ( 0.00,  0.01,  0.04)
179:     oop     ( -0.012,   0.289,   1.060)  ( -0.013,   0.245,   0.920)  ( 0.00,  1.28, 13.28)
179:     vdw     ( -4.274,  -7.518,   1.976)  ( -4.274,  -7.518,   1.977)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (  3.335, 288.444, -76.170)  (  3.362, 288.525, -75.893)  ( 0.82,  0.03,  0.36)
179:     bond    (  4.828, 149.615, -23.114)  (  4.856, 149.648, -23.113)  ( 0.59,  0.02,  0.01)
179:     angle   ( 58.584,  79.414, -45.322)  ( 58.600,  79.429, -45.321)  ( 0.03,  0.02,  0.00)
179:     torsion ( -0.800,  11.926, -13.399)  ( -0.800,  11.927, -13.378)  ( 0.02,  0.01,  0.16)
179:     oop     (  0.110,  -0.159,  -1.678)  (  0.091,  -0.129,  -1.424)  ( 0.21,  0.48, 15.12)
179:     vdw     (-59.388,  47.647,   7.343)  (-59.386,  47.650,   7.343)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       ( 97.961, 147.551, 113.911)  ( 98.001, 147.592, 113.202)  ( 0.04,  0.03,  0.62)
179:     bond    (-154.829, 111.469,  -0.872)  (-154.804, 111.501,  -0.871)  ( 0.02,  0.03,  0.09)
179:     angle   (248.150,  36.634,  82.756)  (248.166,  36.648,  82.756)  ( 0.01,  0.04,  0.00)
179:     torsion ( -1.838,  -9.032,  27.518)  ( -1.838,  -9.032,  27.541)  ( 0.02,  0.00,  0.08)
179:     oop     ( -0.039,   0.000,   3.201)  ( -0.040,  -0.006,   2.469)  ( 0.00,  0.00, 22.88)
179:     vdw     (  6.518,   8.480,   1.307)  (  6.518,   8.480,   1.307)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       (-105.638, -92.389,  26.667)  (-105.524, -92.343,  27.540)  ( 0.11,  0.05,  3.28)
179:     bond    ( 53.724, -43.269, -13.811)  ( 53.752, -43.241, -13.809)  ( 0.05,  0.06,  0.01)
179:     angle   (-150.033, -101.179,  -4.308)  (-150.019, -101.165,  -4.309)  ( 0.01,  0.01,  0.01)
179:     torsion (-12.547,  -1.115,  45.037)  (-12.546,  -1.115,  45.061)  ( 0.00,  0.01,  0.05)
179:     oop     ( -0.413,   0.024,  -4.236)  ( -0.342,   0.027,  -3.386)  ( 2.93,  0.01, 20.05)
179:     vdw     (  3.631,  53.150,   3.984)  (  3.631,  53.151,   3.984)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (-73.437,   0.837,  32.603)  (-73.425,   0.887,  32.365)  ( 0.02,  4.21,  0.73)
179:     bond    ( 50.547, -70.937, -15.049)  ( 50.574, -70.910, -15.048)  ( 0.05,  0.04,  0.01)
179:     angle   (-70.177,  42.637,   8.768)  (-70.165,  42.649,   8.768)  ( 0.02,  0.03,  0.00)
179:     torsion (  3.371,  -2.144,  22.650)  (  3.371,  -2.143,  22.671)  ( 0.02,  0.02,  0.09)
179:     oop     (  0.179,  -0.069,   1.564)  (  0.150,  -0.060,   1.303)  ( 0.52,  0.07, 16.70)
179:     vdw     (-57.357,  31.349,  14.670)  (-57.356,  31.350,  14.670)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (-38.012,   1.098,  26.556)  (-37.969,   1.136,  26.591)  ( 0.11,  3.43,  0.13)
179:     bond    ( 38.128,  64.277,   2.987)  ( 38.153,  64.305,   2.988)  ( 0.07,  0.04,  0.04)
179:     angle   (  4.265, -26.112,  -4.627)  (  4.279, -26.101,  -4.627)  ( 0.32,  0.04,  0.00)
179:     torsion (  3.666,  -2.511,  22.904)  (  3.666,  -2.510,  22.925)  ( 0.01,  0.01,  0.09)
179:     oop     ( -0.014,   0.010,  -0.082)  ( -0.012,   0.008,  -0.069)  ( 0.00,  0.00,  0.11)
179:     vdw     (-84.058, -34.566,   5.374)  (-84.056, -34.565,   5.374)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       ( -6.612, -14.388,   4.623)  ( -6.583, -14.337,   4.539)  ( 0.44,  0.35,  1.82)
179:     bond    (-23.301,  24.678,   5.043)  (-23.273,  24.703,   5.044)  ( 0.12,  0.10,  0.02)
179:     angle   ( 23.724,  18.525,  -0.135)  ( 23.734,  18.539,  -0.135)  ( 0.04,  0.08,  0.00)
179:     torsion (  0.087,  -0.016,   3.427)  (  0.087,  -0.016,   3.448)  ( 0.00,  0.00,  0.62)
179:     oop     (  0.058,  -0.061,   0.636)  (  0.049,  -0.051,   0.530)  ( 0.06,  0.06,  6.75)
179:     vdw     ( -7.180, -57.513,  -4.349)  ( -7.180, -57.512,  -4.349)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( 11.714,  20.273,   5.442)  ( 11.764,  20.303,   5.582)  ( 0.43,  0.14,  2.59)
179:     bond    (  3.716,  51.056,   3.270)  (  3.743,  51.083,   3.271)  ( 0.71,  0.05,  0.02)
179:     angle   (-53.611,  15.132,   7.002)  (-53.599,  15.144,   7.002)  ( 0.02,  0.08,  0.00)
179:     torsion (  1.337,  -0.581,   6.526)  (  1.337,  -0.581,   6.547)  ( 0.01,  0.01,  0.32)
179:     oop     ( -0.057,   0.060,  -0.698)  ( -0.047,   0.050,  -0.579)  ( 0.06,  0.06,  8.29)
179:     vdw     ( 60.329, -45.394, -10.659)  ( 60.330, -45.393, -10.659)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( 85.817,   0.348,   2.069)  ( 85.847,   0.385,   2.035)  ( 0.04,  1.29,  1.64)
179:     bond    (-102.276,  22.499,  12.095)  (-102.251,  22.527,  12.096)  ( 0.02,  0.13,  0.01)
179:     angle   (114.983,   0.338, -13.795)  (114.997,   0.349, -13.795)  ( 0.01,  0.36,  0.00)
179:     torsion (  3.315,   2.200,  13.926)  (  3.315,   2.200,  13.947)  ( 0.01,  0.01,  0.15)
179:     oop     (  0.081,   0.015,   0.475)  (  0.070,   0.011,   0.419)  ( 0.09,  0.01,  2.68)
179:     vdw     ( 69.714, -24.704, -10.632)  ( 69.716, -24.702, -10.632)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (-66.238,  22.367,  95.317)  (-66.197,  22.317,  95.067)  ( 0.06,  0.22,  0.26)
179:     bond    ( 55.099, -110.431, 101.265)  ( 55.118, -110.408, 101.284)  ( 0.03,  0.02,  0.02)
179:     angle   (-100.710,  88.879, -129.473)  (-100.696,  88.891, -129.464)  ( 0.01,  0.01,  0.01)
179:     torsion (-18.856,  33.146, 127.144)  (-18.854,  33.148, 127.149)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.022,   0.319,   1.038)  ( -0.016,   0.233,   0.756)  ( 0.01,  2.77, 27.17)
179:     vdw     ( -1.750,  10.454,  -4.658)  ( -1.749,  10.454,  -4.658)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( 10.945, -26.557,  21.043)  ( 10.974, -26.528,  21.072)  ( 0.26,  0.11,  0.14)
179:     bond    ( 78.061, -32.255, -59.087)  ( 78.080, -32.237, -59.068)  ( 0.02,  0.05,  0.03)
179:     angle   (-71.166, -17.158,  58.672)  (-71.158, -17.148,  58.681)  ( 0.01,  0.05,  0.02)
179:     torsion ( 16.636,   5.460,  15.588)  ( 16.636,   5.461,  15.588)  ( 0.00,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-12.585,  17.395,   5.870)  (-12.584,  17.396,   5.870)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( 33.427, -21.864,   6.423)  ( 33.457, -21.835,   6.452)  ( 0.09,  0.13,  0.45)
179:     bond    (-69.515, -53.766,  16.940)  (-69.496, -53.748,  16.959)  ( 0.03,  0.03,  0.11)
179:     angle   (104.511,   2.138,  -2.504)  (104.521,   2.147,  -2.495)  ( 0.01,  0.41,  0.34)
179:     torsion (  7.290,  -4.506,  14.180)  (  7.291,  -4.505,  14.182)  ( 0.01,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.860,  34.269, -22.193)  ( -8.858,  34.270, -22.193)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (-59.522,  73.111, -61.491)  (-59.480,  73.147, -61.474)  ( 0.07,  0.05,  0.03)
179:     bond    ( -1.423, -127.289,  25.653)  ( -1.396, -127.270,  25.672)  ( 1.85,  0.02,  0.07)
179:     angle   (-73.912, 231.350, -63.017)  (-73.899, 231.367, -63.008)  ( 0.02,  0.01,  0.01)
179:     torsion ( -1.153,  -2.884, -31.550)  ( -1.153,  -2.883, -31.544)  ( 0.07,  0.07,  0.02)
179:     oop     ( -0.002,   0.011,   0.067)  ( -0.002,   0.008,   0.050)  ( 0.00,  0.00,  0.11)
179:     vdw     ( 16.968, -28.077,   7.357)  ( 16.969, -28.076,   7.357)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -9.675,   6.016, -13.876)  ( -9.641,   6.050, -13.844)  ( 0.35,  0.57,  0.23)
179:     bond    (-21.693, 101.511, -10.537)  (-21.673, 101.529, -10.518)  ( 0.09,  0.02,  0.17)
179:     angle   (-41.649, -155.895,   4.820)  (-41.638, -155.882,   4.830)  ( 0.03,  0.01,  0.22)
179:     torsion ( -2.346,  -4.745,  -0.756)  ( -2.345,  -4.743,  -0.754)  ( 0.03,  0.03,  0.21)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 56.013,  65.145,  -7.403)  ( 56.015,  65.146,  -7.403)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (-66.360,  63.008, 151.800)  (-66.326,  63.047, 151.841)  ( 0.05,  0.06,  0.03)
179:     bond    ( 23.914, -31.082, 126.884)  ( 23.934, -31.059, 126.909)  ( 0.08,  0.07,  0.02)
179:     angle   (-80.332, 108.889,  -9.633)  (-80.318, 108.904,  -9.619)  ( 0.02,  0.01,  0.15)
179:     torsion ( -4.548,  -7.157,  32.760)  ( -4.547,  -7.156,  32.761)  ( 0.01,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.395,  -7.642,   1.790)  ( -5.394,  -7.642,   1.790)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -3.335,  28.070,  31.883)  ( -3.302,  28.101,  31.915)  ( 1.00,  0.11,  0.10)
179:     bond    ( -2.543, 116.577,  10.472)  ( -2.523, 116.596,  10.490)  ( 0.81,  0.02,  0.17)
179:     angle   (-14.795, -77.489, -16.820)  (-14.784, -77.477, -16.808)  ( 0.08,  0.02,  0.07)
179:     torsion (  3.122, -17.800,  28.898)  (  3.123, -17.799,  28.899)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.881,   6.781,   9.333)  ( 10.882,   6.781,   9.333)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (-24.969, -88.911, 251.020)  (-24.932, -88.876, 251.061)  ( 0.15,  0.04,  0.02)
179:     bond    ( 27.243, -89.704, 157.951)  ( 27.263, -89.683, 157.978)  ( 0.08,  0.02,  0.02)
179:     angle   (-61.752,   2.506,  67.387)  (-61.736,   2.520,  67.401)  ( 0.03,  0.56,  0.02)
179:     torsion ( 16.304,   4.570,  25.812)  ( 16.305,   4.570,  25.813)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.765,  -6.283,  -0.131)  ( -6.764,  -6.283,  -0.131)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       (121.830, 139.624,   6.344)  (121.601, 140.012,   6.557)  ( 0.19,  0.28,  3.36)
179:     bond    ( 53.237, 119.656,  38.714)  ( 53.256, 119.676,  38.733)  ( 0.04,  0.02,  0.05)
179:     angle   ( 33.866,  64.258, -10.453)  ( 33.877,  64.269, -10.439)  ( 0.03,  0.02,  0.14)
179:     torsion ( 11.309, -24.297,  36.020)  ( 11.309, -24.296,  36.020)  ( 0.00,  0.00,  0.00)
179:     oop     (  2.504,  -3.437,  -1.712)  (  2.244,  -3.079,  -1.533)  (10.38, 10.39, 10.43)
179:     vdw     ( 20.914, -16.557, -56.225)  ( 20.915, -16.557, -56.224)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (-634.732, -306.472, -606.488)  (-632.744, -308.968, -607.724)  ( 0.31,  0.81,  0.20)
179:     bond    (-277.869,  75.610, -564.058)  (-277.851,  75.624, -564.017)  ( 0.01,  0.02,  0.01)
179:     angle   (-406.214, -378.621,   3.969)  (-406.199, -378.612,   3.979)  ( 0.00,  0.00,  0.23)
179:     torsion (  7.598,  -8.679,  14.394)  (  7.598,  -8.679,  14.394)  ( 0.00,  0.01,  0.00)
179:     oop     ( -9.905,  13.111,   6.630)  ( -7.950,  10.593,   5.341)  (19.74, 19.21, 19.44)
179:     vdw     ( 51.658,  -7.894, -67.422)  ( 51.659,  -7.894, -67.421)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (255.888, -20.863, 326.222)  (255.033, -19.748, 326.821)  ( 0.33,  5.34,  0.18)
179:     bond    (-25.278, -142.548, 236.213)  (-25.277, -142.539, 236.238)  ( 0.01,  0.01,  0.01)
179:     angle   (245.224, 135.470, 107.978)  (245.229, 135.472, 107.978)  ( 0.00,  0.00,  0.00)
179:     torsion ( 16.660, -22.922, -12.048)  ( 16.659, -22.923, -12.048)  ( 0.00,  0.00,  0.00)
179:     oop     (  3.710,  -4.857,  -2.534)  (  2.848,  -3.754,  -1.960)  (23.23, 22.71, 22.63)
179:     vdw     ( 15.572,  13.995,  -3.387)  ( 15.573,  13.995,  -3.387)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (714.427, 258.670, -21.571)  (713.613, 259.733, -21.011)  ( 0.11,  0.41,  2.60)
179:     bond    (224.614,   7.051, 333.105)  (224.621,   7.049, 333.121)  ( 0.00,  0.02,  0.01)
179:     angle   (185.180, 209.834, -129.309)  (185.184, 209.837, -129.308)  ( 0.00,  0.00,  0.00)
179:     torsion (-17.793,  24.359,  11.482)  (-17.793,  24.359,  11.482)  ( 0.00,  0.00,  0.00)
179:     oop     (  3.689,  -4.821,  -2.386)  (  2.858,  -3.759,  -1.847)  (22.53, 22.02, 22.57)
179:     vdw     (318.736,  22.247, -234.463)  (318.744,  22.246, -234.459)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       ( 71.242, -142.602,  -9.270)  ( 71.247, -142.570,  -9.245)  ( 0.01,  0.02,  0.27)
179:     bond    ( -6.359, -151.413, -79.773)  ( -6.359, -151.384, -79.756)  ( 0.00,  0.02,  0.02)
179:     angle   ( 74.980, -19.554,  66.012)  ( 74.984, -19.551,  66.020)  ( 0.01,  0.01,  0.01)
179:     torsion ( -8.427,   9.675,  -6.479)  ( -8.427,   9.676,  -6.479)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.049,  18.689,  10.970)  ( 11.050,  18.690,  10.970)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (-57.580,  58.619, -138.104)  (-57.548,  58.623, -138.077)  ( 0.06,  0.01,  0.02)
179:     bond    (-63.307,   3.061, -175.086)  (-63.282,   3.062, -175.065)  ( 0.04,  0.04,  0.01)
179:     angle   ( 11.175,   1.052,   6.951)  ( 11.181,   1.055,   6.956)  ( 0.05,  0.32,  0.08)
179:     torsion ( -3.889,  38.685,   2.208)  ( -3.889,  38.685,   2.208)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.559,  15.821,  27.823)  ( -1.558,  15.821,  27.823)  ( 0.05,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       ( 12.880,  -1.499,  -9.262)  ( 12.896,  -1.500,  -9.241)  ( 0.13,  0.08,  0.23)
179:     bond    ( 16.396,  -0.223,  -1.751)  ( 16.411,  -0.223,  -1.751)  ( 0.09,  0.00,  0.01)
179:     angle   ( -0.183,  -3.658,  -1.246)  ( -0.183,  -3.654,  -1.246)  ( 0.00,  0.10,  0.03)
179:     torsion ( -0.658,   2.290,  -6.462)  ( -0.658,   2.290,  -6.457)  ( 0.00,  0.03,  0.07)
179:     oop     ( -0.010,   0.033,  -0.096)  ( -0.008,   0.028,  -0.080)  ( 0.00,  0.02,  0.16)
179:     vdw     ( -2.666,   0.060,   0.293)  ( -2.666,   0.060,   0.293)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (  1.682, -17.045,   4.237)  (  1.691, -17.045,   4.278)  ( 0.55,  0.00,  0.97)
179:     bond    (  7.488, -13.781,  -5.274)  (  7.491, -13.770,  -5.272)  ( 0.04,  0.08,  0.03)
179:     angle   ( -4.769,  -2.422,  -0.447)  ( -4.766,  -2.421,  -0.447)  ( 0.07,  0.03,  0.00)
179:     torsion (  0.762,  -3.146,   9.292)  (  0.762,  -3.145,   9.297)  ( 0.00,  0.02,  0.05)
179:     oop     ( -0.016,   0.071,  -0.208)  ( -0.013,   0.059,  -0.173)  ( 0.00,  0.08,  0.73)
179:     vdw     ( -1.782,   2.233,   0.873)  ( -1.782,   2.233,   0.873)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (-13.474, -16.279,   2.644)  (-13.472, -16.245,   2.585)  ( 0.02,  0.21,  2.24)
179:     bond    ( -8.186, -13.103,  -3.777)  ( -8.182, -13.093,  -3.776)  ( 0.05,  0.08,  0.02)
179:     angle   ( 16.163,  -8.868,  -4.283)  ( 16.166,  -8.867,  -4.283)  ( 0.02,  0.01,  0.01)
179:     torsion (  1.541,  -5.826,  16.856)  (  1.541,  -5.826,  16.860)  ( 0.00,  0.01,  0.03)
179:     oop     (  0.033,  -0.137,   0.403)  (  0.028,  -0.115,   0.337)  ( 0.02,  0.30,  2.62)
179:     vdw     (-23.026,  11.655,  -6.553)  (-23.025,  11.655,  -6.553)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (  1.702,  16.175, -14.981)  (  1.724,  16.112, -14.751)  ( 1.32,  0.39,  1.54)
179:     bond    ( -5.820,  11.039,   4.124)  ( -5.817,  11.050,   4.125)  ( 0.05,  0.10,  0.04)
179:     angle   ( 12.767,   6.308,   1.110)  ( 12.770,   6.308,   1.110)  ( 0.03,  0.01,  0.00)
179:     torsion ( -1.134,   5.864, -17.312)  ( -1.134,   5.864, -17.307)  ( 0.00,  0.01,  0.03)
179:     oop     ( -0.098,   0.449,  -1.342)  ( -0.082,   0.374,  -1.117)  ( 0.16,  3.39, 16.73)
179:     vdw     ( -4.012,  -7.485,  -1.562)  ( -4.012,  -7.485,  -1.562)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       (  7.581,  16.776, -20.433)  (  7.594,  16.772, -20.382)  ( 0.16,  0.02,  0.25)
179:     bond    (  8.737,  13.297,   3.406)  (  8.741,  13.307,   3.407)  ( 0.05,  0.08,  0.02)
179:     angle   (  2.916,  -1.685,  -0.910)  (  2.919,  -1.685,  -0.910)  ( 0.10,  0.06,  0.02)
179:     torsion ( -2.476,   7.286, -22.114)  ( -2.476,   7.286, -22.110)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.031,   0.090,  -0.274)  ( -0.026,   0.076,  -0.229)  ( 0.02,  0.13,  1.23)
179:     vdw     ( -1.565,  -2.212,  -0.540)  ( -1.565,  -2.212,  -0.540)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 40       ( 32.749,  16.958, -149.806)  ( 32.672,  16.278, -149.079)  ( 0.23,  4.01,  0.49)
179:     bond    ( 33.459, -55.246, -49.387)  ( 33.463, -55.235, -49.378)  ( 0.01,  0.02,  0.02)
179:     angle   (-26.229,  -1.697, -15.875)  (-26.224,  -1.697, -15.874)  ( 0.02,  0.03,  0.01)
179:     torsion ( 34.711,  62.839, -46.773)  ( 34.711,  62.841, -46.772)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.596,   4.195,  -4.289)  (  0.509,   3.503,  -3.573)  ( 5.14, 16.51, 16.70)
179:     vdw     ( -9.787,   6.866, -33.483)  ( -9.786,   6.867, -33.482)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (-65.197, -69.425, -57.284)  (-65.175, -69.429, -57.385)  ( 0.03,  0.01,  0.18)
179:     bond    ( 10.154,  -5.855,   1.667)  ( 10.165,  -5.852,   1.667)  ( 0.11,  0.06,  0.01)
179:     angle   (-38.237, -64.749,   5.881)  (-38.236, -64.745,   5.881)  ( 0.00,  0.01,  0.00)
179:     torsion (  7.173, -12.413, -87.325)  (  7.173, -12.413, -87.319)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.035,   0.067,   0.450)  ( -0.027,   0.051,   0.343)  ( 0.03,  0.10,  4.83)
179:     vdw     (-44.252,  13.526,  22.043)  (-44.251,  13.530,  22.043)  ( 0.00,  0.03,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       ( 12.007,   0.809, -50.538)  ( 12.023,   0.815, -50.506)  ( 0.13,  0.46,  0.06)
179:     bond    (  0.960,  -0.653,  -0.220)  (  0.970,  -0.649,  -0.219)  ( 0.96,  0.29,  0.01)
179:     angle   ( 19.290,  28.705,   0.377)  ( 19.291,  28.708,   0.377)  ( 0.01,  0.01,  0.00)
179:     torsion (-10.675,   8.352, -71.968)  (-10.675,   8.352, -71.964)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.024,   0.019,  -0.163)  ( -0.020,   0.016,  -0.137)  ( 0.01,  0.01,  0.43)
179:     vdw     (  2.457, -35.613,  21.436)  (  2.457, -35.612,  21.436)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       ( 12.317,   5.787,  17.733)  ( 12.331,   5.792,  17.749)  ( 0.12,  0.08,  0.09)
179:     bond    ( 14.478,   6.220,  -0.840)  ( 14.490,   6.223,  -0.840)  ( 0.09,  0.04,  0.01)
179:     angle   ( -1.288,   3.054,   0.437)  ( -1.288,   3.058,   0.437)  ( 0.05,  0.11,  0.00)
179:     torsion (  1.897,  -1.940,  18.353)  (  1.897,  -1.940,  18.358)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.007,   0.007,  -0.068)  ( -0.006,   0.006,  -0.057)  ( 0.00,  0.00,  0.08)
179:     vdw     ( -2.763,  -1.555,  -0.150)  ( -2.763,  -1.555,  -0.150)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       ( -4.598,  11.285,  10.406)  ( -4.591,  11.297,  10.440)  ( 0.16,  0.10,  0.33)
179:     bond    (  1.748,  14.035,   1.261)  (  1.748,  14.050,   1.262)  ( 0.02,  0.10,  0.01)
179:     angle   ( -6.788,   0.776,   0.761)  ( -6.784,   0.776,   0.761)  ( 0.06,  0.00,  0.00)
179:     torsion (  0.817,  -0.896,   8.840)  (  0.817,  -0.896,   8.845)  ( 0.00,  0.01,  0.06)
179:     oop     ( -0.016,   0.017,  -0.169)  ( -0.014,   0.014,  -0.140)  ( 0.00,  0.01,  0.49)
179:     vdw     ( -0.359,  -2.647,  -0.287)  ( -0.358,  -2.647,  -0.287)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       (-18.905,   0.809, -12.324)  (-18.899,   0.821, -12.374)  ( 0.03,  1.03,  0.41)
179:     bond    (-14.221,  10.344,   2.191)  (-14.211,  10.350,   2.191)  ( 0.07,  0.05,  0.01)
179:     angle   ( -5.224,  -7.145,  -0.135)  ( -5.222,  -7.142,  -0.135)  ( 0.03,  0.04,  0.00)
179:     torsion ( -1.335,   1.208, -14.366)  ( -1.335,   1.208, -14.361)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.031,  -0.028,   0.331)  (  0.026,  -0.023,   0.275)  ( 0.02,  0.01,  1.85)
179:     vdw     (  1.844,  -3.571,  -0.344)  (  1.844,  -3.571,  -0.344)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 46       (-28.919, -53.589, -18.437)  (-28.911, -53.576, -18.487)  ( 0.02,  0.02,  0.27)
179:     bond    (-13.365,  -4.730,   1.249)  (-13.352,  -4.729,   1.249)  ( 0.10,  0.04,  0.01)
179:     angle   (-15.396,  44.841,   5.200)  (-15.395,  44.844,   5.200)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.655,   0.154,  -6.424)  ( -0.655,   0.154,  -6.419)  ( 0.00,  0.00,  0.08)
179:     oop     (  0.042,  -0.025,   0.355)  (  0.036,  -0.022,   0.301)  ( 0.03,  0.01,  1.93)
179:     vdw     (  0.455, -93.828, -18.818)  (  0.455, -93.825, -18.818)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 47       (-26.566,  25.212, -28.839)  (-26.560,  25.217, -28.827)  ( 0.02,  0.02,  0.04)
179:     bond    (-11.055,  -3.483, -22.909)  (-11.053,  -3.483, -22.898)  ( 0.02,  0.00,  0.05)
179:     angle   ( -7.141,   8.375,   2.171)  ( -7.139,   8.379,   2.171)  ( 0.04,  0.04,  0.03)
179:     torsion ( -7.520,  25.795,  -0.294)  ( -7.519,  25.796,  -0.294)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.850,  -5.475,  -7.806)  ( -0.850,  -5.475,  -7.806)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       (-24.351, -25.990,   1.795)  (-24.340, -25.984,   1.798)  ( 0.05,  0.02,  0.15)
179:     bond    (-45.915, -22.615,  -5.946)  (-45.904, -22.612,  -5.946)  ( 0.02,  0.01,  0.00)
179:     angle   ( 15.706, -30.909,  -3.723)  ( 15.707, -30.907,  -3.721)  ( 0.00,  0.01,  0.06)
179:     torsion (  6.875, -19.736,  21.983)  (  6.875, -19.736,  21.983)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.017,  47.271, -10.519)  ( -1.016,  47.272, -10.519)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       ( 36.796,  11.520,  38.836)  ( 36.800,  11.522,  38.849)  ( 0.01,  0.02,  0.03)
179:     bond    ( 11.190,  -1.507,  41.064)  ( 11.191,  -1.507,  41.077)  ( 0.01,  0.01,  0.03)
179:     angle   ( 17.459, -15.585,  -5.329)  ( 17.462, -15.583,  -5.329)  ( 0.01,  0.01,  0.00)
179:     torsion ( 12.306,  23.863,  -2.477)  ( 12.306,  23.864,  -2.477)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.159,   4.748,   5.578)  ( -4.159,   4.748,   5.579)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       (-29.076,  33.154, -18.847)  (-29.072,  33.167, -18.843)  ( 0.01,  0.04,  0.02)
179:     bond    ( -5.456,  33.426,  -8.494)  ( -5.455,  33.439,  -8.494)  ( 0.00,  0.04,  0.01)
179:     angle   ( 32.312,   2.037, -12.737)  ( 32.315,   2.037, -12.735)  ( 0.01,  0.01,  0.02)
179:     torsion (-18.145,  -7.077, -16.210)  (-18.144,  -7.077, -16.209)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-37.788,   4.768,  18.595)  (-37.787,   4.768,  18.595)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       (-10.073,  11.672, -43.302)  (-10.064,  11.676, -43.294)  ( 0.08,  0.04,  0.02)
179:     bond    ( 31.678, -13.145, -36.411)  ( 31.683, -13.145, -36.404)  ( 0.02,  0.01,  0.02)
179:     angle   ( -1.895, -34.657,  10.864)  ( -1.893, -34.655,  10.865)  ( 0.07,  0.01,  0.01)
179:     torsion (  7.134,  -5.604,   8.233)  (  7.135,  -5.604,   8.233)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-46.990,  65.079, -25.988)  (-46.989,  65.080, -25.988)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       (-13.218,  31.397, -25.916)  (-13.213,  31.408, -25.912)  ( 0.04,  0.04,  0.01)
179:     bond    (-13.699,  29.311, -10.293)  (-13.697,  29.322, -10.292)  ( 0.02,  0.04,  0.01)
179:     angle   (-26.614,  -9.753,   7.628)  (-26.611,  -9.752,   7.630)  ( 0.01,  0.01,  0.02)
179:     torsion (  0.561,  -1.856,  -6.034)  (  0.561,  -1.856,  -6.034)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 26.533,  13.695, -17.217)  ( 26.534,  13.695, -17.217)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       (  4.736,  13.131,  39.313)  (  4.742,  13.134,  39.324)  ( 0.12,  0.03,  0.03)
179:     bond    ( 21.570,   8.503,  35.884)  ( 21.574,   8.504,  35.894)  ( 0.02,  0.00,  0.03)
179:     angle   ( -3.708, -26.999,   8.623)  ( -3.707, -26.997,   8.624)  ( 0.04,  0.01,  0.01)
179:     torsion ( -2.608,   2.873,   0.887)  ( -2.608,   2.873,   0.887)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.518,  28.753,  -6.080)  (-10.518,  28.754,  -6.080)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       ( 72.754,   0.873, -14.533)  ( 72.760,   0.880, -14.521)  ( 0.01,  0.58,  0.08)
179:     bond    (  1.977,  20.116, -45.686)  (  1.977,  20.119, -45.674)  ( 0.01,  0.01,  0.03)
179:     angle   ( 13.749,  30.884,  14.200)  ( 13.753,  30.886,  14.200)  ( 0.03,  0.01,  0.00)
179:     torsion (  2.619,   9.092,   4.119)  (  2.620,   9.093,   4.119)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 54.409, -59.219,  12.834)  ( 54.410, -59.218,  12.834)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       ( 43.347,  21.559,  39.370)  ( 43.352,  21.568,  39.378)  ( 0.01,  0.04,  0.02)
179:     bond    ( -2.040,  32.043,  31.725)  ( -2.040,  32.050,  31.732)  ( 0.01,  0.02,  0.02)
179:     angle   ( 35.192,  14.594, -12.480)  ( 35.196,  14.595, -12.479)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.882,  -8.652,   8.681)  ( -0.882,  -8.651,   8.681)  ( 0.02,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.077, -16.427,  11.443)  ( 11.078, -16.426,  11.443)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( 20.739, -16.581,  38.050)  ( 20.744, -16.575,  38.062)  ( 0.02,  0.04,  0.03)
179:     bond    ( -1.456, -14.668,  26.526)  ( -1.456, -14.665,  26.536)  ( 0.01,  0.02,  0.04)
179:     angle   ( -7.505,  -1.343,  -1.153)  ( -7.502,  -1.341,  -1.153)  ( 0.04,  0.13,  0.05)
179:     torsion ( 12.012,  -6.112,  -2.718)  ( 12.012,  -6.111,  -2.718)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 17.689,   5.542,  15.396)  ( 17.690,   5.543,  15.396)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( -9.513, -10.340, -51.789)  ( -9.509, -10.332, -51.780)  ( 0.05,  0.08,  0.02)
179:     bond    (  1.529, -22.811, -24.383)  (  1.529, -22.804, -24.376)  ( 0.01,  0.03,  0.03)
179:     angle   (  2.795,   3.734,  -3.320)  (  2.799,   3.735,  -3.319)  ( 0.12,  0.03,  0.03)
179:     torsion (-11.027,  11.386, -11.344)  (-11.027,  11.386, -11.344)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.810,  -2.650, -12.741)  ( -2.809,  -2.649, -12.741)  ( 0.04,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       (  7.764,  -8.888, -82.637)  (  7.767,  -8.880, -82.625)  ( 0.04,  0.09,  0.01)
179:     bond    (  0.583,  21.754, -28.028)  (  0.582,  21.759, -28.020)  ( 0.01,  0.02,  0.03)
179:     angle   ( -6.302,  -6.960,  -5.535)  ( -6.299,  -6.957,  -5.534)  ( 0.05,  0.03,  0.03)
179:     torsion ( 11.584,  -9.359,  -7.027)  ( 11.585,  -9.359,  -7.027)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.899, -14.323, -42.046)  (  1.899, -14.323, -42.045)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( 15.771, -54.382,  11.456)  ( 15.776, -54.374,  11.464)  ( 0.03,  0.01,  0.07)
179:     bond    ( -2.380, -21.430,  23.359)  ( -2.380, -21.424,  23.366)  ( 0.00,  0.03,  0.03)
179:     angle   ( -0.520,   6.883,   6.258)  ( -0.517,   6.884,   6.259)  ( 0.17,  0.02,  0.02)
179:     torsion ( 20.490, -19.643, -15.922)  ( 20.490, -19.642, -15.922)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.819, -20.193,  -2.239)  ( -1.818, -20.192,  -2.239)  ( 0.05,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       (-20.601,  -1.270, -45.454)  (-20.596,  -1.265, -45.443)  ( 0.02,  0.41,  0.02)
179:     bond    ( -2.300, -15.456, -26.859)  ( -2.300, -15.452, -26.849)  ( 0.00,  0.02,  0.04)
179:     angle   ( 20.424,  -0.699,  -1.349)  ( 20.427,  -0.698,  -1.348)  ( 0.02,  0.12,  0.04)
179:     torsion (-15.240,  28.309, -14.988)  (-15.239,  28.309, -14.987)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-23.486, -13.424,  -2.259)  (-23.484, -13.424,  -2.259)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       (-36.188,  29.042, -85.024)  (-36.183,  29.055, -85.019)  ( 0.01,  0.04,  0.01)
179:     bond    ( -2.350,  35.403, -10.280)  ( -2.350,  35.416, -10.279)  ( 0.00,  0.04,  0.01)
179:     angle   ( -5.201,  -7.746, -25.504)  ( -5.198,  -7.746, -25.500)  ( 0.06,  0.00,  0.01)
179:     torsion (-15.969, -16.076, -51.740)  (-15.969, -16.077, -51.740)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-12.668,  17.462,   2.500)  (-12.667,  17.462,   2.500)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       (-15.019, -62.910, -10.944)  (-15.015, -62.898, -10.940)  ( 0.03,  0.02,  0.04)
179:     bond    (  9.749, -31.825,  15.219)  (  9.750, -31.815,  15.221)  ( 0.01,  0.03,  0.01)
179:     angle   ( -8.627,   5.965,  17.990)  ( -8.625,   5.965,  17.993)  ( 0.03,  0.01,  0.01)
179:     torsion (-15.181, -21.195, -34.574)  (-15.181, -21.194, -34.575)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.960, -15.855,  -9.579)  ( -0.960, -15.854,  -9.579)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       (-28.471,  30.602, -47.591)  (-28.466,  30.605, -47.578)  ( 0.02,  0.01,  0.03)
179:     bond    (-13.150,  -6.799, -35.271)  (-13.148,  -6.799, -35.260)  ( 0.01,  0.00,  0.03)
179:     angle   (-17.889,  11.898,   4.374)  (-17.886,  11.901,   4.375)  ( 0.01,  0.02,  0.01)
179:     torsion ( -4.815,  38.873,  -5.700)  ( -4.815,  38.873,  -5.700)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.383, -13.370, -10.993)  (  7.384, -13.369, -10.993)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 64       ( 12.189,  96.663, -26.883)  ( 12.188,  96.685, -26.877)  ( 0.00,  0.02,  0.02)
179:     bond    (  8.251,  84.539, -22.501)  (  8.251,  84.561, -22.500)  ( 0.00,  0.03,  0.00)
179:     angle   (  2.144, -11.923, -44.028)  (  2.144, -11.923, -44.025)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.474,  -0.037,   0.033)  (  0.474,  -0.037,   0.033)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.319,  24.085,  39.613)  (  1.319,  24.085,  39.614)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 65       (-284.611,  11.023, 333.937)  (-284.581,  11.023, 333.948)  ( 0.01,  0.00,  0.00)
179:     bond    (  9.512,   1.540,  -0.214)  (  9.534,   1.541,  -0.214)  ( 0.24,  0.04,  0.00)
179:     angle   ( -0.345,   0.715, -10.236)  ( -0.345,   0.715, -10.232)  ( 0.00,  0.00,  0.04)
179:     torsion ( -0.025,   0.154,   0.012)  ( -0.025,   0.154,   0.012)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-293.753,   8.613, 344.376)  (-293.745,   8.613, 344.383)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 14 # gradients 
179: ok 15 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (301.772, 181.352,  45.300)  (301.694, 180.986,  45.998)  ( 0.03,  0.20,  1.54)
179:     bond    ( -1.833,  -0.557,  -0.639)  ( -1.799,  -0.537,  -0.631)  ( 1.87,  1.12,  0.49)
179:     angle   (290.509, 137.927, 119.299)  (290.523, 137.938, 119.304)  ( 0.00,  0.01,  0.00)
179:     torsion ( 12.278,  42.204, -69.671)  ( 12.279,  42.210, -69.655)  ( 0.00,  0.01,  0.02)
179:     oop     (  0.666,   2.233,  -3.691)  (  0.540,   1.829,  -3.022)  ( 8.41, 18.09, 18.14)
179:     vdw     (  0.152,  -0.454,   0.002)  (  0.152,  -0.454,   0.002)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-247.311, -31.248,  77.114)  (-247.151, -30.869,  76.570)  ( 0.06,  1.21,  0.70)
179:     bond    (  2.768,   2.470,   2.169)  (  2.795,   2.489,   2.176)  ( 0.97,  0.79,  0.33)
179:     angle   (-228.121,  23.105, -12.124)  (-228.109,  23.115, -12.121)  ( 0.01,  0.04,  0.03)
179:     torsion (-18.738, -51.579,  86.865)  (-18.737, -51.574,  86.881)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.643,  -1.871,   3.129)  ( -0.523,  -1.527,   2.559)  ( 7.71, 18.39, 18.22)
179:     vdw     ( -2.578,  -3.373,  -2.925)  ( -2.577,  -3.373,  -2.925)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( 53.994, 107.586, -72.680)  ( 53.960, 107.403, -72.295)  ( 0.06,  0.17,  0.53)
179:     bond    (  4.664,  -1.988,  -0.584)  (  4.689,  -1.967,  -0.575)  ( 0.53,  1.05,  0.52)
179:     angle   ( 30.408,  40.045,  38.844)  ( 30.422,  40.056,  38.849)  ( 0.05,  0.03,  0.01)
179:     torsion ( 23.917,  67.645, -110.408)  ( 23.918,  67.650, -110.396)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.405,   1.150,  -1.877)  (  0.331,   0.931,  -1.519)  ( 3.03, 19.03, 19.05)
179:     vdw     ( -5.400,   0.733,   1.346)  ( -5.400,   0.733,   1.346)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (-219.542, -42.542, -106.540)  (-219.533, -42.595, -106.018)  ( 0.00,  0.13,  0.49)
179:     bond    (  9.694,   0.197,   1.892)  (  9.728,   0.218,   1.902)  ( 0.34,  0.41,  0.51)
179:     angle   (-225.909, -61.230, -28.678)  (-225.892, -61.214, -28.674)  ( 0.01,  0.03,  0.01)
179:     torsion (  5.825,  17.750, -74.597)  (  5.826,  17.757, -74.582)  ( 0.01,  0.04,  0.02)
179:     oop     (  0.187,   0.512,  -1.976)  (  0.145,   0.414,  -1.483)  ( 0.77,  4.98, 24.96)
179:     vdw     ( -9.340,   0.229,  -3.180)  ( -9.339,   0.229,  -3.180)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-103.988, -378.716, -28.757)  (-103.811, -378.276, -29.357)  ( 0.17,  0.12,  2.09)
179:     bond    (  5.906,  -1.531,   0.403)  (  5.943,  -1.502,   0.415)  ( 0.63,  1.85,  0.49)
179:     angle   (-74.604, -284.643, -178.344)  (-74.592, -284.628, -178.339)  ( 0.02,  0.01,  0.00)
179:     torsion (-28.510, -93.641, 147.850)  (-28.509, -93.635, 147.866)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.683,  -2.271,   3.669)  ( -0.556,  -1.881,   3.036)  ( 8.64, 17.19, 17.27)
179:     vdw     ( -6.097,   3.370,  -2.335)  ( -6.097,   3.371,  -2.335)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (234.949,  78.410, 194.466)  (235.045,  78.340, 193.137)  ( 0.04,  0.09,  0.68)
179:     bond    (-10.131,  -0.808,   0.668)  (-10.097,  -0.779,   0.668)  ( 0.34,  2.32,  0.03)
179:     angle   (234.241,  52.030,  46.614)  (234.258,  52.048,  46.615)  ( 0.01,  0.04,  0.00)
179:     torsion (  0.764,  25.463, 141.630)  (  0.765,  25.465, 141.650)  ( 0.02,  0.01,  0.01)
179:     oop     ( -0.150,   0.547,   6.594)  ( -0.106,   0.427,   5.244)  ( 0.65,  6.52, 20.47)
179:     vdw     ( 10.225,   1.178,  -1.039)  ( 10.225,   1.178,  -1.039)  ( 0.00,  0.02,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (103.309, 319.286, -232.860)  (103.306, 319.605, -231.042)  ( 0.00,  0.10,  0.78)
179:     bond    ( -5.496,   0.840,  -0.583)  ( -5.457,   0.878,  -0.582)  ( 0.70,  3.22,  0.04)
179:     angle   ( 99.415, 352.868, -36.595)  ( 99.427, 352.888, -36.595)  ( 0.01,  0.01,  0.00)
179:     torsion (  2.400, -30.742, -183.519)  (  2.401, -30.741, -183.498)  ( 0.01,  0.00,  0.01)
179:     oop     (  0.033,  -1.277,  -9.904)  ( -0.021,  -1.017,  -8.109)  ( 0.18, 20.38, 18.12)
179:     vdw     (  6.957,  -2.403,  -2.258)  (  6.957,  -2.403,  -2.258)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (-313.516, -162.733, 107.280)  (-313.485, -162.746, 106.724)  ( 0.01,  0.01,  0.52)
179:     bond    (  1.436,   0.669,  -0.084)  (  1.470,   0.696,  -0.084)  ( 2.43,  1.81,  0.00)
179:     angle   (-316.967, -170.821,  23.120)  (-316.952, -170.805,  23.121)  ( 0.00,  0.01,  0.00)
179:     torsion (  2.083,   6.673,  80.649)  (  2.083,   6.673,  80.671)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.128,   0.337,   3.437)  (  0.110,   0.281,   2.859)  ( 0.23,  1.88, 16.84)
179:     vdw     ( -0.195,   0.410,   0.157)  ( -0.195,   0.410,   0.157)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (239.221, -18.397,  66.490)  (239.245, -18.405,  66.061)  ( 0.01,  0.05,  0.65)
179:     bond    ( -2.872,  -3.159,   0.473)  ( -2.844,  -3.133,   0.474)  ( 0.96,  0.82,  0.01)
179:     angle   (236.450, -26.016,   1.239)  (236.462, -26.003,   1.239)  ( 0.01,  0.05,  0.03)
179:     torsion (  2.401,   6.602,  63.163)  (  2.401,   6.602,  63.184)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.090,   0.271,   2.597)  (  0.073,   0.223,   2.146)  ( 0.15,  1.31, 17.36)
179:     vdw     (  3.153,   3.905,  -0.983)  (  3.153,   3.905,  -0.983)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-58.372, -59.689, -117.312)  (-58.318, -59.555, -116.461)  ( 0.09,  0.22,  0.72)
179:     bond    ( -4.647,   1.930,  -0.560)  ( -4.622,   1.958,  -0.559)  ( 0.55,  1.48,  0.03)
179:     angle   (-52.538, -44.247,  17.989)  (-52.523, -44.233,  17.990)  ( 0.03,  0.03,  0.01)
179:     torsion ( -6.022, -15.499, -132.273)  ( -6.022, -15.498, -132.259)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.077,  -0.470,  -4.290)  ( -0.064,  -0.379,  -3.455)  ( 0.10,  4.29, 19.46)
179:     vdw     (  4.912,  -1.402,   1.822)  (  4.913,  -1.402,   1.822)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (-151.248, -155.360,  -2.039)  (-151.224, -155.355,  -2.266)  ( 0.02,  0.00, 11.15)
179:     bond    (  0.883,   8.752,  -1.624)  (  0.901,   8.774,  -1.606)  ( 1.55,  0.24,  1.12)
179:     angle   (-164.678, -149.716,  -0.681)  (-164.668, -149.706,  -0.675)  ( 0.01,  0.01,  0.40)
179:     torsion ( 10.920,  -5.505,  -3.117)  ( 10.918,  -5.505,  -3.116)  ( 0.01,  0.01,  0.03)
179:     oop     (  0.013,   0.092,   0.954)  (  0.011,   0.067,   0.702)  ( 0.00,  0.23, 24.07)
179:     vdw     (  1.614,  -8.984,   2.429)  (  1.614,  -8.984,   2.429)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       ( 13.751, -24.647, -39.803)  ( 13.766, -24.624, -39.582)  ( 0.11,  0.09,  0.56)
179:     bond    ( -0.858,  -0.484,   0.045)  ( -0.847,  -0.480,   0.045)  ( 0.97,  0.18,  0.00)
179:     angle   ( 11.796, -20.447,   3.862)  ( 11.797, -20.444,   3.862)  ( 0.01,  0.02,  0.01)
179:     torsion ( -0.709,  -2.781, -43.150)  ( -0.709,  -2.781, -43.144)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.009,  -0.053,  -0.741)  ( -0.007,  -0.037,  -0.525)  ( 0.00,  0.09, 15.98)
179:     vdw     (  3.531,  -0.882,   0.180)  (  3.531,  -0.882,   0.180)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-34.984, -37.445,  -8.191)  (-34.968, -37.411,  -7.953)  ( 0.05,  0.09,  2.90)
179:     bond    ( -2.120,   1.944,  -0.158)  ( -2.112,   1.950,  -0.158)  ( 0.38,  0.35,  0.00)
179:     angle   (-35.398, -37.804,   6.546)  (-35.397, -37.802,   6.545)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.309,  -1.427, -13.490)  ( -0.309,  -1.427, -13.484)  ( 0.00,  0.01,  0.04)
179:     oop     ( -0.021,  -0.100,  -0.952)  ( -0.015,  -0.075,  -0.719)  ( 0.01,  0.25, 22.11)
179:     vdw     (  2.865,  -0.058,  -0.137)  (  2.865,  -0.058,  -0.137)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (166.639, 130.450,  95.534)  (166.694, 130.564,  95.423)  ( 0.03,  0.09,  0.12)
179:     bond    ( -0.427,  -7.502,  -4.745)  ( -0.410,  -7.481,  -4.726)  ( 0.73,  0.28,  0.40)
179:     angle   (171.435, 135.443,  86.513)  (171.445, 135.451,  86.520)  ( 0.01,  0.01,  0.01)
179:     torsion ( -1.753,  -4.467,   7.534)  ( -1.753,  -4.466,   7.537)  ( 0.01,  0.02,  0.03)
179:     oop     ( -0.107,  -0.320,   0.527)  ( -0.079,  -0.235,   0.388)  ( 0.30,  2.71,  7.32)
179:     vdw     ( -2.509,   7.296,   5.704)  ( -2.508,   7.296,   5.704)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       (-13.714,  13.703,  11.933)  (-13.644,  13.889,  11.645)  ( 0.51,  1.35,  2.42)
179:     bond    (  0.886,   0.415,   0.424)  (  0.896,   0.417,   0.427)  ( 0.92,  0.09,  0.10)
179:     angle   (-10.001,  17.493,   3.901)  ( -9.999,  17.496,   3.901)  ( 0.01,  0.01,  0.01)
179:     torsion ( -1.208,  -4.254,   6.691)  ( -1.207,  -4.253,   6.695)  ( 0.01,  0.04,  0.07)
179:     oop     ( -0.196,  -0.624,   1.022)  ( -0.139,  -0.445,   0.726)  ( 1.13, 11.17, 28.95)
179:     vdw     ( -3.195,   0.674,  -0.104)  ( -3.195,   0.674,  -0.104)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( 32.568,  31.600,  21.423)  ( 32.536,  31.483,  21.634)  ( 0.10,  0.37,  0.98)
179:     bond    (  2.020,  -1.650,  -0.589)  (  2.029,  -1.644,  -0.588)  ( 0.43,  0.34,  0.04)
179:     angle   ( 32.320,  30.184,  27.103)  ( 32.321,  30.186,  27.104)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.868,   2.390,  -3.694)  (  0.868,   2.391,  -3.690)  ( 0.01,  0.06,  0.11)
179:     oop     (  0.170,   0.510,  -0.839)  (  0.128,   0.384,  -0.634)  ( 0.72,  6.42, 17.23)
179:     vdw     ( -2.810,   0.165,  -0.558)  ( -2.810,   0.166,  -0.558)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( 83.517,  16.992, -11.075)  ( 83.468,  16.852, -10.802)  ( 0.06,  0.82,  2.46)
179:     bond    ( -0.553,   4.541,   2.614)  ( -0.553,   4.557,   2.619)  ( 0.01,  0.36,  0.21)
179:     angle   ( 82.083,  -0.222,  17.717)  ( 82.087,  -0.222,  17.717)  ( 0.01,  0.00,  0.00)
179:     torsion (  5.269,  15.175, -25.296)  (  5.270,  15.177, -25.292)  ( 0.00,  0.01,  0.02)
179:     oop     (  0.230,   0.713,  -1.192)  (  0.176,   0.555,  -0.929)  ( 1.25, 11.24, 22.05)
179:     vdw     ( -3.512,  -3.215,  -4.917)  ( -3.512,  -3.215,  -4.917)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (-90.967,  16.173, 118.304)  (-90.929,  16.057, 117.521)  ( 0.04,  0.72,  0.66)
179:     bond    (  0.210,  -4.745,   0.834)  (  0.210,  -4.724,   0.834)  ( 0.00,  0.45,  0.06)
179:     angle   (-93.772,  -4.843,  -3.809)  (-93.768,  -4.843,  -3.809)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.467,  21.186, 120.314)  ( -1.467,  21.186, 120.320)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.035,   0.621,   3.525)  ( -0.002,   0.483,   2.736)  ( 0.12,  8.56, 22.38)
179:     vdw     (  4.097,   3.955,  -2.560)  (  4.097,   3.955,  -2.560)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (-87.215, -43.200, -51.128)  (-87.208, -43.194, -51.123)  ( 0.01,  0.01,  0.01)
179:     bond    ( -0.306,   0.292,   0.237)  ( -0.301,   0.298,   0.240)  ( 0.16,  0.15,  0.08)
179:     angle   (-88.178, -61.843, -33.686)  (-88.176, -61.842, -33.684)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.338,  15.260, -20.588)  ( -1.338,  15.260, -20.588)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.607,   3.090,   2.908)  (  2.607,   3.090,   2.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (-27.197, -58.402,  -2.711)  (-27.190, -58.398,  -2.703)  ( 0.02,  0.01,  0.29)
179:     bond    ( -1.957,   0.921,  -2.164)  ( -1.952,   0.923,  -2.157)  ( 0.29,  0.12,  0.32)
179:     angle   ( -7.421, -59.431, -18.712)  ( -7.420, -59.428, -18.711)  ( 0.01,  0.00,  0.00)
179:     torsion (-18.345,  -1.997,  15.745)  (-18.345,  -1.997,  15.745)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.527,   2.104,   2.420)  (  0.527,   2.104,   2.420)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       ( 11.122, -50.089, -42.997)  ( 11.128, -50.082, -42.990)  ( 0.05,  0.01,  0.02)
179:     bond    ( -1.164,  -1.398,   1.214)  ( -1.160,  -1.393,   1.218)  ( 0.34,  0.40,  0.36)
179:     angle   ( -6.372, -37.992, -49.495)  ( -6.370, -37.991, -49.493)  ( 0.02,  0.00,  0.00)
179:     torsion ( 19.921, -12.925,   4.198)  ( 19.921, -12.925,   4.198)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.263,   2.227,   1.086)  ( -1.263,   2.227,   1.086)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( -0.246,  86.674,  -3.924)  ( -0.234,  86.677,  -3.920)  ( 0.28,  0.00,  0.10)
179:     bond    (  2.839,   0.011,  -1.453)  (  2.850,   0.011,  -1.450)  ( 0.39,  0.00,  0.20)
180: # Testing molecular formal charges...
180: ok 1
180: 1..1
163/219 Test #180: test_formalcharge_1 ..............   Passed    9.38 sec
test 195
        Start 195: test_pdbreadfile_3
195: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "3"
195: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
195: Environment variables: 
195:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
195:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
195: Test timeout computed to be: 6000
181: # Unit tests for OBFormat 
181: 1..4
181: ok 1
181: ok 2
181: ok 3
181: ok 4
164/219 Test #181: test_format_1 ....................   Passed    9.34 sec
test 196
        Start 196: test_pdbreadfile_4
196: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "4"
196: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
196: Environment variables: 
196:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
196:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
196: Test timeout computed to be: 6000
182: # Testing molecular formulas...
182: ok 1 # molecular formula
182: ok 2 # molecular weight
182: ok 3 # molecular exact mass
182: ok 4 # molecular hydrogen-added formula
182: ok 5 # molecule + hydrogens weight
182: ok 6 # molecular exact mass after hydrogen addition
182: ok 7 # molecular formula
182: ok 8 # molecular weight
182: ok 9 # molecular exact mass
182: ok 10 # molecular hydrogen-added formula
182: ok 11 # molecule + hydrogens weight
182: ok 12 # molecular exact mass after hydrogen addition
182: ok 13 # molecular formula
182: ok 14 # molecular weight
182: ok 15 # molecular exact mass
182: ok 16 # molecular hydrogen-added formula
182: ok 17 # molecule + hydrogens weight
182: ok 18 # molecular exact mass after hydrogen addition
182: ok 19 # molecular formula
182: ok 20 # molecular weight
182: ok 21 # molecular exact mass
182: ok 22 # molecular hydrogen-added formula
182: ok 23 # molecule + hydrogens weight
182: ok 24 # molecular exact mass after hydrogen addition
182: ok 25 # molecular formula
182: ok 26 # molecular weight
182: ok 27 # molecular exact mass
182: ok 28 # molecular hydrogen-added formula
182: ok 29 # molecule + hydrogens weight
182: ok 30 # molecular exact mass after hydrogen addition
182: ok 31 # molecular formula
182: ok 32 # molecular weight
182: ok 33 # molecular exact mass
182: ok 34 # molecular hydrogen-added formula
182: ok 35 # molecule + hydrogens weight
182: ok 36 # molecular exact mass after hydrogen addition
182: ok 37 # molecular formula
182: ok 38 # molecular weight
182: ok 39 # molecular exact mass
182: ok 40 # molecular hydrogen-added formula
182: ok 41 # molecule + hydrogens weight
182: ok 42 # molecular exact mass after hydrogen addition
182: ok 43 # molecular formula
182: ok 44 # molecular weight
182: ok 45 # molecular exact mass
182: ok 46 # molecular hydrogen-added formula
182: ok 47 # molecule + hydrogens weight
182: ok 48 # molecular exact mass after hydrogen addition
182: ok 49 # molecular formula
182: ok 50 # molecular weight
182: ok 51 # molecular exact mass
182: ok 52 # molecular hydrogen-added formula
182: ok 53 # molecule + hydrogens weight
182: ok 54 # molecular exact mass after hydrogen addition
182: ok 55 # molecular formula
182: ok 56 # molecular weight
182: ok 57 # molecular exact mass
182: ok 58 # molecular hydrogen-added formula
182: ok 59 # molecule + hydrogens weight
182: ok 60 # molecular exact mass after hydrogen addition
182: ok 61 # molecular formula
182: ok 62 # molecular weight
182: ok 63 # molecular exact mass
182: ok 64 # molecular hydrogen-added formula
182: ok 65 # molecule + hydrogens weight
182: ok 66 # molecular exact mass after hydrogen addition
182: ok 67 # molecular formula
182: ok 68 # molecular weight
182: ok 69 # molecular exact mass
182: ok 70 # molecular hydrogen-added formula
182: ok 71 # molecule + hydrogens weight
182: ok 72 # molecular exact mass after hydrogen addition
182: ok 73 # molecular formula
182: ok 74 # molecular weight
182: ok 75 # molecular exact mass
182: ok 76 # molecular hydrogen-added formula
182: ok 77 # molecule + hydrogens weight
182: ok 78 # molecular exact mass after hydrogen addition
182: ok 79 # molecular formula
182: ok 80 # molecular weight
182: ok 81 # molecular exact mass
182: ok 82 # molecular hydrogen-added formula
182: ok 83 # molecule + hydrogens weight
182: ok 84 # molecular exact mass after hydrogen addition
182: ok 85 # molecular formula
182: ok 86 # molecular weight
182: ok 87 # molecular exact mass
182: ok 88 # molecular hydrogen-added formula
182: ok 89 # molecule + hydrogens weight
182: ok 90 # molecular exact mass after hydrogen addition
182: ok 91 # molecular formula
182: ok 92 # molecular weight
182: ok 93 # molecular exact mass
182: ok 94 # molecular hydrogen-added formula
182: ok 95 # molecule + hydrogens weight
182: ok 96 # molecular exact mass after hydrogen addition
182: ok 97 # molecular formula
182: ok 98 # molecular weight
182: ok 99 # molecular exact mass
182: ok 100 # molecular hydrogen-added formula
182: ok 101 # molecule + hydrogens weight
182: ok 102 # molecular exact mass after hydrogen addition
182: ok 103 # molecular formula
182: ok 104 # molecular weight
182: ok 105 # molecular exact mass
182: ok 106 # molecular hydrogen-added formula
182: ok 107 # molecule + hydrogens weight
182: ok 108 # molecular exact mass after hydrogen addition
182: ok 109 # molecular formula
182: ok 110 # molecular weight
182: ok 111 # molecular exact mass
182: ok 112 # molecular hydrogen-added formula
182: ok 113 # molecule + hydrogens weight
182: ok 114 # molecular exact mass after hydrogen addition
182: ok 115 # molecular formula
182: ok 116 # molecular weight
182: ok 117 # molecular exact mass
182: ok 118 # molecular hydrogen-added formula
182: ok 119 # molecule + hydrogens weight
182: ok 120 # molecular exact mass after hydrogen addition
182: ok 121 # molecular formula
182: ok 122 # molecular weight
182: ok 123 # molecular exact mass
182: ok 124 # molecular hydrogen-added formula
182: ok 125 # molecule + hydrogens weight
182: ok 126 # molecular exact mass after hydrogen addition
182: ok 127 # molecular formula
182: ok 128 # molecular weight
182: ok 129 # molecular exact mass
182: ok 130 # molecular hydrogen-added formula
182: ok 131 # molecule + hydrogens weight
182: ok 132 # molecular exact mass after hydrogen addition
182: ok 133 # molecular formula
182: ok 134 # molecular weight
182: ok 135 # molecular exact mass
182: ok 136 # molecular hydrogen-added formula
182: ok 137 # molecule + hydrogens weight
182: ok 138 # molecular exact mass after hydrogen addition
182: ok 139 # molecular formula
182: ok 140 # molecular weight
182: ok 141 # molecular exact mass
182: ok 142 # molecular hydrogen-added formula
182: ok 143 # molecule + hydrogens weight
182: ok 144 # molecular exact mass after hydrogen addition
182: ok 145 # molecular formula
182: ok 146 # molecular weight
182: ok 147 # molecular exact mass
182: ok 148 # molecular hydrogen-added formula
182: ok 149 # molecule + hydrogens weight
182: ok 150 # molecular exact mass after hydrogen addition
182: ok 151 # molecular formula
182: ok 152 # molecular weight
182: ok 153 # molecular exact mass
182: ok 154 # molecular hydrogen-added formula
182: ok 155 # molecule + hydrogens weight
182: ok 156 # molecular exact mass after hydrogen addition
182: ok 157 # molecular formula
182: ok 158 # molecular weight
182: ok 159 # molecular exact mass
182: ok 160 # molecular hydrogen-added formula
182: ok 161 # molecule + hydrogens weight
182: ok 162 # molecular exact mass after hydrogen addition
182: ok 163 # molecular formula
182: ok 164 # molecular weight
182: ok 165 # molecular exact mass
182: ok 166 # molecular hydrogen-added formula
182: ok 167 # molecule + hydrogens weight
182: ok 168 # molecular exact mass after hydrogen addition
182: ok 169 # molecular formula
182: ok 170 # molecular weight
182: ok 171 # molecular exact mass
182: ok 172 # molecular hydrogen-added formula
182: ok 173 # molecule + hydrogens weight
182: ok 174 # molecular exact mass after hydrogen addition
182: ok 175 # molecular formula
182: ok 176 # molecular weight
182: ok 177 # molecular exact mass
182: ok 178 # molecular hydrogen-added formula
182: ok 179 # molecule + hydrogens weight
182: ok 180 # molecular exact mass after hydrogen addition
182: ok 181 # molecular formula
182: ok 182 # molecular weight
182: ok 183 # molecular exact mass
182: ok 184 # molecular hydrogen-added formula
182: ok 185 # molecule + hydrogens weight
182: ok 186 # molecular exact mass after hydrogen addition
182: ok 187 # molecular formula
182: ok 188 # molecular weight
182: ok 189 # molecular exact mass
182: ok 190 # molecular hydrogen-added formula
182: ok 191 # molecule + hydrogens weight
182: ok 192 # molecular exact mass after hydrogen addition
182: ok 193 # molecular formula
182: ok 194 # molecular weight
182: ok 195 # molecular exact mass
182: ok 196 # molecular hydrogen-added formula
182: ok 197 # molecule + hydrogens weight
182: ok 198 # molecular exact mass after hydrogen addition
182: ok 199 # molecular formula
182: ok 200 # molecular weight
182: ok 201 # molecular exact mass
182: ok 202 # molecular hydrogen-added formula
182: ok 203 # molecule + hydrogens weight
182: ok 204 # molecular exact mass after hydrogen addition
182: ok 205 # molecular formula
182: ok 206 # molecular weight
182: ok 207 # molecular exact mass
182: ok 208 # molecular hydrogen-added formula
182: ok 209 # molecule + hydrogens weight
182: ok 210 # molecular exact mass after hydrogen addition
182: ok 211 # molecular formula
182: ok 212 # molecular weight
182: ok 213 # molecular exact mass
182: ok 214 # molecular hydrogen-added formula
182: ok 215 # molecule + hydrogens weight
182: ok 216 # molecular exact mass after hydrogen addition
182: ok 217 # molecular formula
182: ok 218 # molecular weight
182: ok 219 # molecular exact mass
182: ok 220 # molecular hydrogen-added formula
182: ok 221 # molecule + hydrogens weight
182: ok 222 # molecular exact mass after hydrogen addition
182: ok 223 # molecular formula
182: ok 224 # molecular weight
182: ok 225 # molecular exact mass
182: ok 226 # molecular hydrogen-added formula
182: ok 227 # molecule + hydrogens weight
182: ok 228 # molecular exact mass after hydrogen addition
182: ok 229 # molecular formula
182: ok 230 # molecular weight
182: ok 231 # molecular exact mass
182: ok 232 # molecular hydrogen-added formula
182: ok 233 # molecule + hydrogens weight
182: ok 234 # molecular exact mass after hydrogen addition
182: ok 235 # molecular formula
182: ok 236 # molecular weight
182: ok 237 # molecular exact mass
182: ok 238 # molecular hydrogen-added formula
182: ok 239 # molecule + hydrogens weight
182: ok 240 # molecular exact mass after hydrogen addition
182: ok 241 # molecular formula
182: ok 242 # molecular weight
182: ok 243 # molecular exact mass
182: ok 244 # molecular hydrogen-added formula
182: ok 245 # molecule + hydrogens weight
182: ok 246 # molecular exact mass after hydrogen addition
182: ok 247 # molecular formula
182: ok 248 # molecular weight
182: ok 249 # molecular exact mass
182: ok 250 # molecular hydrogen-added formula
182: ok 251 # molecule + hydrogens weight
182: ok 252 # molecular exact mass after hydrogen addition
182: ok 253 # molecular formula
182: ok 254 # molecular weight
182: ok 255 # molecular exact mass
182: ok 256 # molecular hydrogen-added formula
182: ok 257 # molecule + hydrogens weight
182: ok 258 # molecular exact mass after hydrogen addition
182: ok 259 # molecular formula
182: ok 260 # molecular weight
182: ok 261 # molecular exact mass
182: ok 262 # molecular hydrogen-added formula
182: ok 263 # molecule + hydrogens weight
182: ok 264 # molecular exact mass after hydrogen addition
182: ok 265 # molecular formula
182: ok 266 # molecular weight
182: ok 267 # molecular exact mass
182: ok 268 # molecular hydrogen-added formula
182: ok 269 # molecule + hydrogens weight
182: ok 270 # molecular exact mass after hydrogen addition
182: ok 271 # molecular formula
182: ok 272 # molecular weight
182: ok 273 # molecular exact mass
182: ok 274 # molecular hydrogen-added formula
182: ok 275 # molecule + hydrogens weight
182: ok 276 # molecular exact mass after hydrogen addition
182: ok 277 # molecular formula
182: ok 278 # molecular weight
182: ok 279 # molecular exact mass
182: ok 280 # molecular hydrogen-added formula
182: ok 281 # molecule + hydrogens weight
182: ok 282 # molecular exact mass after hydrogen addition
182: ok 283 # molecular formula
182: ok 284 # molecular weight
182: ok 285 # molecular exact mass
182: ok 286 # molecular hydrogen-added formula
182: ok 287 # molecule + hydrogens weight
182: ok 288 # molecular exact mass after hydrogen addition
182: ok 289 # molecular formula
182: ok 290 # molecular weight
182: ok 291 # molecular exact mass
182: ok 292 # molecular hydrogen-added formula
182: ok 293 # molecule + hydrogens weight
182: ok 294 # molecular exact mass after hydrogen addition
182: ok 295 # molecular formula
182: ok 296 # molecular weight
182: ok 297 # molecular exact mass
182: ok 298 # molecular hydrogen-added formula
182: ok 299 # molecule + hydrogens weight
182: ok 300 # molecular exact mass after hydrogen addition
182: ok 301 # molecular formula
182: ok 302 # molecular weight
182: ok 303 # molecular exact mass
182: ok 304 # molecular hydrogen-added formula
182: ok 305 # molecule + hydrogens weight
182: ok 306 # molecular exact mass after hydrogen addition
182: ok 307 # molecular formula
182: ok 308 # molecular weight
182: ok 309 # molecular exact mass
182: ok 310 # molecular hydrogen-added formula
182: ok 311 # molecule + hydrogens weight
182: ok 312 # molecular exact mass after hydrogen addition
182: ok 313 # molecular formula
182: ok 314 # molecular weight
182: ok 315 # molecular exact mass
182: ok 316 # molecular hydrogen-added formula
182: ok 317 # molecule + hydrogens weight
182: ok 318 # molecular exact mass after hydrogen addition
182: ok 319 # molecular formula
182: ok 320 # molecular weight
182: ok 321 # molecular exact mass
182: ok 322 # molecular hydrogen-added formula
182: ok 323 # molecule + hydrogens weight
182: ok 324 # molecular exact mass after hydrogen addition
182: ok 325 # molecular formula
182: ok 326 # molecular weight
182: ok 327 # molecular exact mass
182: ok 328 # molecular hydrogen-added formula
182: ok 329 # molecule + hydrogens weight
182: ok 330 # molecular exact mass after hydrogen addition
182: ok 331 # molecular formula
182: ok 332 # molecular weight
182: ok 333 # molecular exact mass
182: ok 334 # molecular hydrogen-added formula
182: ok 335 # molecule + hydrogens weight
182: ok 336 # molecular exact mass after hydrogen addition
182: ok 337 # molecular formula
182: ok 338 # molecular weight
182: ok 339 # molecular exact mass
182: ok 340 # molecular hydrogen-added formula
182: ok 341 # molecule + hydrogens weight
182: ok 342 # molecular exact mass after hydrogen addition
182: ok 343 # molecular formula
182: ok 344 # molecular weight
182: ok 345 # molecular exact mass
182: ok 346 # molecular hydrogen-added formula
182: ok 347 # molecule + hydrogens weight
182: ok 348 # molecular exact mass after hydrogen addition
182: ok 349 # molecular formula
182: ok 350 # molecular weight
182: ok 351 # molecular exact mass
182: ok 352 # molecular hydrogen-added formula
182: ok 353 # molecule + hydrogens weight
182: ok 354 # molecular exact mass after hydrogen addition
182: ok 355 # molecular formula
182: ok 356 # molecular weight
182: ok 357 # molecular exact mass
182: ok 358 # molecular hydrogen-added formula
182: ok 359 # molecule + hydrogens weight
182: ok 360 # molecular exact mass after hydrogen addition
182: ok 361 # molecular formula
182: ok 362 # molecular weight
182: ok 363 # molecular exact mass
182: ok 364 # molecular hydrogen-added formula
182: ok 365 # molecule + hydrogens weight
182: ok 366 # molecular exact mass after hydrogen addition
182: ok 367 # molecular formula
182: ok 368 # molecular weight
182: ok 369 # molecular exact mass
182: ok 370 # molecular hydrogen-added formula
182: ok 371 # molecule + hydrogens weight
182: ok 372 # molecular exact mass after hydrogen addition
182: ok 373 # molecular formula
182: ok 374 # molecular weight
182: ok 375 # molecular exact mass
182: ok 376 # molecular hydrogen-added formula
182: ok 377 # molecule + hydrogens weight
182: ok 378 # molecular exact mass after hydrogen addition
182: ok 379 # molecular formula
182: ok 380 # molecular weight
182: ok 381 # molecular exact mass
182: ok 382 # molecular hydrogen-added formula
182: ok 383 # molecule + hydrogens weight
182: ok 384 # molecular exact mass after hydrogen addition
182: ok 385 # molecular formula
182: ok 386 # molecular weight
182: ok 387 # molecular exact mass
182: ok 388 # molecular hydrogen-added formula
182: ok 389 # molecule + hydrogens weight
182: ok 390 # molecular exact mass after hydrogen addition
182: ok 391 # molecular formula
182: ok 392 # molecular weight
182: ok 393 # molecular exact mass
182: ok 394 # molecular hydrogen-added formula
182: ok 395 # molecule + hydrogens weight
182: ok 396 # molecular exact mass after hydrogen addition
182: ok 397 # molecular formula
182: ok 398 # molecular weight
182: ok 399 # molecular exact mass
182: ok 400 # molecular hydrogen-added formula
182: ok 401 # molecule + hydrogens weight
182: ok 402 # molecular exact mass after hydrogen addition
182: ok 403 # molecular formula
182: ok 404 # molecular weight
182: ok 405 # molecular exact mass
182: ok 406 # molecular hydrogen-added formula
182: ok 407 # molecule + hydrogens weight
182: ok 408 # molecular exact mass after hydrogen addition
182: ok 409 # molecular formula
182: ok 410 # molecular weight
182: ok 411 # molecular exact mass
182: ok 412 # molecular hydrogen-added formula
182: ok 413 # molecule + hydrogens weight
182: ok 414 # molecular exact mass after hydrogen addition
182: ok 415 # molecular formula
182: ok 416 # molecular weight
182: ok 417 # molecular exact mass
182: ok 418 # molecular hydrogen-added formula
182: ok 419 # molecule + hydrogens weight
182: ok 420 # molecular exact mass after hydrogen addition
182: ok 421 # molecular formula
182: ok 422 # molecular weight
182: ok 423 # molecular exact mass
182: ok 424 # molecular hydrogen-added formula
182: ok 425 # molecule + hydrogens weight
182: ok 426 # molecular exact mass after hydrogen addition
182: ok 427 # molecular formula
182: ok 428 # molecular weight
182: ok 429 # molecular exact mass
182: ok 430 # molecular hydrogen-added formula
182: ok 431 # molecule + hydrogens weight
182: ok 432 # molecular exact mass after hydrogen addition
182: ok 433 # molecular formula
182: ok 434 # molecular weight
182: ok 435 # molecular exact mass
182: ok 436 # molecular hydrogen-added formula
182: ok 437 # molecule + hydrogens weight
182: ok 438 # molecular exact mass after hydrogen addition
182: ok 439 # molecular formula
182: ok 440 # molecular weight
182: ok 441 # molecular exact mass
182: ok 442 # molecular hydrogen-added formula
182: ok 443 # molecule + hydrogens weight
182: ok 444 # molecular exact mass after hydrogen addition
182: ok 445 # molecular formula
182: ok 446 # molecular weight
182: ok 447 # molecular exact mass
182: ok 448 # molecular hydrogen-added formula
182: ok 449 # molecule + hydrogens weight
182: ok 450 # molecular exact mass after hydrogen addition
182: ok 451 # molecular formula
182: ok 452 # molecular weight
182: ok 453 # molecular exact mass
182: ok 454 # molecular hydrogen-added formula
182: ok 455 # molecule + hydrogens weight
182: ok 456 # molecular exact mass after hydrogen addition
182: ok 457 # molecular formula
182: ok 458 # molecular weight
182: ok 459 # molecular exact mass
182: ok 460 # molecular hydrogen-added formula
182: ok 461 # molecule + hydrogens weight
182: ok 462 # molecular exact mass after hydrogen addition
182: ok 463 # molecular formula
182: ok 464 # molecular weight
182: ok 465 # molecular exact mass
182: ok 466 # molecular hydrogen-added formula
182: ok 467 # molecule + hydrogens weight
182: ok 468 # molecular exact mass after hydrogen addition
182: ok 469 # molecular formula
182: ok 470 # molecular weight
182: ok 471 # molecular exact mass
182: ok 472 # molecular hydrogen-added formula
182: ok 473 # molecule + hydrogens weight
182: ok 474 # molecular exact mass after hydrogen addition
182: ok 475 # molecular formula
182: ok 476 # molecular weight
182: ok 477 # molecular exact mass
182: ok 478 # molecular hydrogen-added formula
182: ok 479 # molecule + hydrogens weight
182: ok 480 # molecular exact mass after hydrogen addition
182: ok 481 # molecular formula
182: ok 482 # molecular weight
182: ok 483 # molecular exact mass
182: ok 484 # molecular hydrogen-added formula
182: ok 485 # molecule + hydrogens weight
182: ok 486 # molecular exact mass after hydrogen addition
182: ok 487 # molecular formula
182: ok 488 # molecular weight
182: ok 489 # molecular exact mass
182: ok 490 # molecular hydrogen-added formula
182: ok 491 # molecule + hydrogens weight
182: ok 492 # molecular exact mass after hydrogen addition
182: ok 493 # molecular formula
182: ok 494 # molecular weight
182: ok 495 # molecular exact mass
182: ok 496 # molecular hydrogen-added formula
182: ok 497 # molecule + hydrogens weight
182: ok 498 # molecular exact mass after hydrogen addition
182: ok 499 # molecular formula
182: ok 500 # molecular weight
182: ok 501 # molecular exact mass
182: ok 502 # molecular hydrogen-added formula
182: ok 503 # molecule + hydrogens weight
182: ok 504 # molecular exact mass after hydrogen addition
182: ok 505 # molecular formula
182: ok 506 # molecular weight
182: ok 507 # molecular exact mass
182: ok 508 # molecular hydrogen-added formula
182: ok 509 # molecule + hydrogens weight
182: ok 510 # molecular exact mass after hydrogen addition
182: ok 511 # molecular formula
182: ok 512 # molecular weight
182: ok 513 # molecular exact mass
182: ok 514 # molecular hydrogen-added formula
182: ok 515 # molecule + hydrogens weight
182: ok 516 # molecular exact mass after hydrogen addition
182: ok 517 # molecular formula
182: ok 518 # molecular weight
182: ok 519 # molecular exact mass
182: ok 520 # molecular hydrogen-added formula
182: ok 521 # molecule + hydrogens weight
182: ok 522 # molecular exact mass after hydrogen addition
182: ok 523 # molecular formula
182: ok 524 # molecular weight
182: ok 525 # molecular exact mass
182: ok 526 # molecular hydrogen-added formula
182: ok 527 # molecule + hydrogens weight
182: ok 528 # molecular exact mass after hydrogen addition
182: ok 529 # molecular formula
182: ok 530 # molecular weight
182: ok 531 # molecular exact mass
182: ok 532 # molecular hydrogen-added formula
182: ok 533 # molecule + hydrogens weight
182: ok 534 # molecular exact mass after hydrogen addition
182: ok 535 # molecular formula
182: ok 536 # molecular weight
182: ok 537 # molecular exact mass
182: ok 538 # molecular hydrogen-added formula
182: ok 539 # molecule + hydrogens weight
182: ok 540 # molecular exact mass after hydrogen addition
182: ok 541 # molecular formula
182: ok 542 # molecular weight
182: ok 543 # molecular exact mass
182: ok 544 # molecular hydrogen-added formula
182: ok 545 # molecule + hydrogens weight
182: ok 546 # molecular exact mass after hydrogen addition
182: ok 547 # molecular formula
182: ok 548 # molecular weight
182: ok 549 # molecular exact mass
182: ok 550 # molecular hydrogen-added formula
182: ok 551 # molecule + hydrogens weight
182: ok 552 # molecular exact mass after hydrogen addition
182: ok 553 # molecular formula
182: ok 554 # molecular weight
182: ok 555 # molecular exact mass
182: ok 556 # molecular hydrogen-added formula
182: ok 557 # molecule + hydrogens weight
182: ok 558 # molecular exact mass after hydrogen addition
182: ok 559 # molecular formula
182: ok 560 # molecular weight
182: ok 561 # molecular exact mass
182: ok 562 # molecular hydrogen-added formula
182: ok 563 # molecule + hydrogens weight
182: ok 564 # molecular exact mass after hydrogen addition
182: ok 565 # molecular formula
182: ok 566 # molecular weight
182: ok 567 # molecular exact mass
182: ok 568 # molecular hydrogen-added formula
182: ok 569 # molecule + hydrogens weight
182: ok 570 # molecular exact mass after hydrogen addition
182: ok 571 # molecular formula
182: ok 572 # molecular weight
182: ok 573 # molecular exact mass
182: ok 574 # molecular hydrogen-added formula
182: ok 575 # molecule + hydrogens weight
182: ok 576 # molecular exact mass after hydrogen addition
182: ok 577 # molecular formula
182: ok 578 # molecular weight
182: ok 579 # molecular exact mass
182: ok 580 # molecular hydrogen-added formula
182: ok 581 # molecule + hydrogens weight
182: ok 582 # molecular exact mass after hydrogen addition
182: ok 583 # molecular formula
182: ok 584 # molecular weight
182: ok 585 # molecular exact mass
182: ok 586 # molecular hydrogen-added formula
182: ok 587 # molecule + hydrogens weight
182: ok 588 # molecular exact mass after hydrogen addition
182: ok 589 # molecular formula
182: ok 590 # molecular weight
182: ok 591 # molecular exact mass
182: ok 592 # molecular hydrogen-added formula
182: ok 593 # molecule + hydrogens weight
182: ok 594 # molecular exact mass after hydrogen addition
182: ok 595 # molecular formula
182: ok 596 # molecular weight
182: ok 597 # molecular exact mass
182: ok 598 # molecular hydrogen-added formula
182: ok 599 # molecule + hydrogens weight
182: ok 600 # molecular exact mass after hydrogen addition
182: ok 601 # molecular formula
182: ok 602 # molecular weight
182: ok 603 # molecular exact mass
182: ok 604 # molecular hydrogen-added formula
182: ok 605 # molecule + hydrogens weight
182: ok 606 # molecular exact mass after hydrogen addition
182: ok 607 # molecular formula
182: ok 608 # molecular weight
182: ok 609 # molecular exact mass
182: ok 610 # molecular hydrogen-added formula
182: ok 611 # molecule + hydrogens weight
182: ok 612 # molecular exact mass after hydrogen addition
182: ok 613 # molecular formula
182: ok 614 # molecular weight
182: ok 615 # molecular exact mass
182: ok 616 # molecular hydrogen-added formula
182: ok 617 # molecule + hydrogens weight
182: ok 618 # molecular exact mass after hydrogen addition
182: ok 619 # molecular formula
182: ok 620 # molecular weight
182: ok 621 # molecular exact mass
182: ok 622 # molecular hydrogen-added formula
182: ok 623 # molecule + hydrogens weight
182: ok 624 # molecular exact mass after hydrogen addition
182: ok 625 # molecular formula
182: ok 626 # molecular weight
182: ok 627 # molecular exact mass
182: ok 628 # molecular hydrogen-added formula
182: ok 629 # molecule + hydrogens weight
182: ok 630 # molecular exact mass after hydrogen addition
182: ok 631 # molecular formula
182: ok 632 # molecular weight
182: ok 633 # molecular exact mass
182: ok 634 # molecular hydrogen-added formula
182: ok 635 # molecule + hydrogens weight
182: ok 636 # molecular exact mass after hydrogen addition
182: ok 637 # molecular formula
182: ok 638 # molecular weight
182: ok 639 # molecular exact mass
182: ok 640 # molecular hydrogen-added formula
182: ok 641 # molecule + hydrogens weight
182: ok 642 # molecular exact mass after hydrogen addition
182: ok 643 # molecular formula
182: ok 644 # molecular weight
182: ok 645 # molecular exact mass
182: ok 646 # molecular hydrogen-added formula
182: ok 647 # molecule + hydrogens weight
182: ok 648 # molecular exact mass after hydrogen addition
182: ok 649 # molecular formula
182: ok 650 # molecular weight
182: ok 651 # molecular exact mass
182: ok 652 # molecular hydrogen-added formula
182: ok 653 # molecule + hydrogens weight
182: ok 654 # molecular exact mass after hydrogen addition
182: ok 655 # molecular formula
182: ok 656 # molecular weight
182: ok 657 # molecular exact mass
182: ok 658 # molecular hydrogen-added formula
182: ok 659 # molecule + hydrogens weight
182: ok 660 # molecular exact mass after hydrogen addition
182: ok 661 # molecular formula
182: ok 662 # molecular weight
182: ok 663 # molecular exact mass
182: ok 664 # molecular hydrogen-added formula
182: ok 665 # molecule + hydrogens weight
182: ok 666 # molecular exact mass after hydrogen addition
182: ok 667 # molecular formula
182: ok 668 # molecular weight
182: ok 669 # molecular exact mass
182: ok 670 # molecular hydrogen-added formula
182: ok 671 # molecule + hydrogens weight
182: ok 672 # molecular exact mass after hydrogen addition
182: ok 673 # molecular formula
182: ok 674 # molecular weight
182: ok 675 # molecular exact mass
182: ok 676 # molecular hydrogen-added formula
182: ok 677 # molecule + hydrogens weight
182: ok 678 # molecular exact mass after hydrogen addition
182: ok 679 # molecular formula
182: ok 680 # molecular weight
182: ok 681 # molecular exact mass
182: ok 682 # molecular hydrogen-added formula
182: ok 683 # molecule + hydrogens weight
182: ok 684 # molecular exact mass after hydrogen addition
182: ok 685 # molecular formula
182: ok 686 # molecular weight
182: ok 687 # molecular exact mass
182: ok 688 # molecular hydrogen-added formula
182: ok 689 # molecule + hydrogens weight
182: ok 690 # molecular exact mass after hydrogen addition
182: ok 691 # molecular formula
182: ok 692 # molecular weight
182: ok 693 # molecular exact mass
182: ok 694 # molecular hydrogen-added formula
182: ok 695 # molecule + hydrogens weight
182: ok 696 # molecular exact mass after hydrogen addition
182: ok 697 # molecular formula
182: ok 698 # molecular weight
182: ok 699 # molecular exact mass
182: ok 700 # molecular hydrogen-added formula
182: ok 701 # molecule + hydrogens weight
182: ok 702 # molecular exact mass after hydrogen addition
182: ok 703 # molecular formula
182: ok 704 # molecular weight
182: ok 705 # molecular exact mass
182: ok 706 # molecular hydrogen-added formula
182: ok 707 # molecule + hydrogens weight
182: ok 708 # molecular exact mass after hydrogen addition
182: ok 709 # molecular formula
182: ok 710 # molecular weight
182: ok 711 # molecular exact mass
182: ok 712 # molecular hydrogen-added formula
182: ok 713 # molecule + hydrogens weight
182: ok 714 # molecular exact mass after hydrogen addition
182: ok 715 # molecular formula
182: ok 716 # molecular weight
182: ok 717 # molecular exact mass
182: ok 718 # molecular hydrogen-added formula
182: ok 719 # molecule + hydrogens weight
182: ok 720 # molecular exact mass after hydrogen addition
182: ok 721 # molecular formula
182: ok 722 # molecular weight
182: ok 723 # molecular exact mass
182: ok 724 # molecular hydrogen-added formula
182: ok 725 # molecule + hydrogens weight
182: ok 726 # molecular exact mass after hydrogen addition
182: ok 727 # molecular formula
182: ok 728 # molecular weight
182: ok 729 # molecular exact mass
182: ok 730 # molecular hydrogen-added formula
182: ok 731 # molecule + hydrogens weight
182: ok 732 # molecular exact mass after hydrogen addition
182: ok 733 # molecular formula
182: ok 734 # molecular weight
182: ok 735 # molecular exact mass
182: ok 736 # molecular hydrogen-added formula
182: ok 737 # molecule + hydrogens weight
182: ok 738 # molecular exact mass after hydrogen addition
182: ok 739 # molecular formula
182: ok 740 # molecular weight
182: ok 741 # molecular exact mass
182: ok 742 # molecular hydrogen-added formula
182: ok 743 # molecule + hydrogens weight
182: ok 744 # molecular exact mass after hydrogen addition
182: ok 745 # molecular formula
182: ok 746 # molecular weight
182: ok 747 # molecular exact mass
182: ok 748 # molecular hydrogen-added formula
182: ok 749 # molecule + hydrogens weight
182: ok 750 # molecular exact mass after hydrogen addition
182: ok 751 # molecular formula
182: ok 752 # molecular weight
182: ok 753 # molecular exact mass
182: ok 754 # molecular hydrogen-added formula
182: ok 755 # molecule + hydrogens weight
182: ok 756 # molecular exact mass after hydrogen addition
182: ok 757 # molecular formula
182: ok 758 # molecular weight
182: ok 759 # molecular exact mass
182: ok 760 # molecular hydrogen-added formula
182: ok 761 # molecule + hydrogens weight
182: ok 762 # molecular exact mass after hydrogen addition
182: ok 763 # molecular formula
182: ok 764 # molecular weight
182: ok 765 # molecular exact mass
182: ok 766 # molecular hydrogen-added formula
182: ok 767 # molecule + hydrogens weight
182: ok 768 # molecular exact mass after hydrogen addition
182: ok 769 # molecular formula
182: ok 770 # molecular weight
182: ok 771 # molecular exact mass
182: ok 772 # molecular hydrogen-added formula
182: ok 773 # molecule + hydrogens weight
182: ok 774 # molecular exact mass after hydrogen addition
182: ok 775 # molecular formula
182: ok 776 # molecular weight
182: ok 777 # molecular exact mass
182: ok 778 # molecular hydrogen-added formula
182: ok 779 # molecule + hydrogens weight
182: ok 780 # molecular exact mass after hydrogen addition
182: ok 781 # molecular formula
182: ok 782 # molecular weight
182: ok 783 # molecular exact mass
182: ok 784 # molecular hydrogen-added formula
182: ok 785 # molecule + hydrogens weight
182: ok 786 # molecular exact mass after hydrogen addition
182: ok 787 # molecular formula
182: ok 788 # molecular weight
182: ok 789 # molecular exact mass
182: ok 790 # molecular hydrogen-added formula
182: ok 791 # molecule + hydrogens weight
182: ok 792 # molecular exact mass after hydrogen addition
182: ok 793 # molecular formula
182: ok 794 # molecular weight
182: ok 795 # molecular exact mass
182: ok 796 # molecular hydrogen-added formula
182: ok 797 # molecule + hydrogens weight
182: ok 798 # molecular exact mass after hydrogen addition
182: ok 799 # molecular formula
182: ok 800 # molecular weight
182: ok 801 # molecular exact mass
182: ok 802 # molecular hydrogen-added formula
182: ok 803 # molecule + hydrogens weight
182: ok 804 # molecular exact mass after hydrogen addition
182: ok 805 # molecular formula
182: ok 806 # molecular weight
182: ok 807 # molecular exact mass
182: ok 808 # molecular hydrogen-added formula
182: ok 809 # molecule + hydrogens weight
182: ok 810 # molecular exact mass after hydrogen addition
182: ok 811 # molecular formula
182: ok 812 # molecular weight
182: ok 813 # molecular exact mass
182: ok 814 # molecular hydrogen-added formula
182: ok 815 # molecule + hydrogens weight
182: ok 816 # molecular exact mass after hydrogen addition
182: ok 817 # molecular formula
182: ok 818 # molecular weight
182: ok 819 # molecular exact mass
182: ok 820 # molecular hydrogen-added formula
182: ok 821 # molecule + hydrogens weight
182: ok 822 # molecular exact mass after hydrogen addition
182: ok 823 # molecular formula
182: ok 824 # molecular weight
182: ok 825 # molecular exact mass
182: ok 826 # molecular hydrogen-added formula
182: ok 827 # molecule + hydrogens weight
182: ok 828 # molecular exact mass after hydrogen addition
182: ok 829 # molecular formula
182: ok 830 # molecular weight
182: ok 831 # molecular exact mass
182: ok 832 # molecular hydrogen-added formula
182: ok 833 # molecule + hydrogens weight
182: ok 834 # molecular exact mass after hydrogen addition
182: ok 835 # molecular formula
182: ok 836 # molecular weight
182: ok 837 # molecular exact mass
182: ok 838 # molecular hydrogen-added formula
182: ok 839 # molecule + hydrogens weight
182: ok 840 # molecular exact mass after hydrogen addition
182: ok 841 # molecular formula
182: ok 842 # molecular weight
182: ok 843 # molecular exact mass
182: ok 844 # molecular hydrogen-added formula
182: ok 845 # molecule + hydrogens weight
182: ok 846 # molecular exact mass after hydrogen addition
182: ok 847 # molecular formula
182: ok 848 # molecular weight
182: ok 849 # molecular exact mass
182: ok 850 # molecular hydrogen-added formula
182: ok 851 # molecule + hydrogens weight
182: ok 852 # molecular exact mass after hydrogen addition
182: ok 853 # molecular formula
182: ok 854 # molecular weight
182: ok 855 # molecular exact mass
182: ok 856 # molecular hydrogen-added formula
182: ok 857 # molecule + hydrogens weight
182: ok 858 # molecular exact mass after hydrogen addition
182: ok 859 # molecular formula
182: ok 860 # molecular weight
182: ok 861 # molecular exact mass
182: ok 862 # molecular hydrogen-added formula
182: ok 863 # molecule + hydrogens weight
182: ok 864 # molecular exact mass after hydrogen addition
182: ok 865 # molecular formula
182: ok 866 # molecular weight
182: ok 867 # molecular exact mass
182: ok 868 # molecular hydrogen-added formula
182: ok 869 # molecule + hydrogens weight
182: ok 870 # molecular exact mass after hydrogen addition
182: ok 871 # molecular formula
182: ok 872 # molecular weight
182: ok 873 # molecular exact mass
182: ok 874 # molecular hydrogen-added formula
182: ok 875 # molecule + hydrogens weight
182: ok 876 # molecular exact mass after hydrogen addition
182: ok 877 # molecular formula
182: ok 878 # molecular weight
182: ok 879 # molecular exact mass
182: ok 880 # molecular hydrogen-added formula
182: ok 881 # molecule + hydrogens weight
182: ok 882 # molecular exact mass after hydrogen addition
182: ok 883 # molecular formula
182: ok 884 # molecular weight
182: ok 885 # molecular exact mass
182: ok 886 # molecular hydrogen-added formula
182: ok 887 # molecule + hydrogens weight
182: ok 888 # molecular exact mass after hydrogen addition
182: ok 889 # molecular formula
182: ok 890 # molecular weight
182: ok 891 # molecular exact mass
182: ok 892 # molecular hydrogen-added formula
182: ok 893 # molecule + hydrogens weight
182: ok 894 # molecular exact mass after hydrogen addition
182: ok 895 # molecular formula
182: ok 896 # molecular weight
182: ok 897 # molecular exact mass
182: ok 898 # molecular hydrogen-added formula
182: ok 899 # molecule + hydrogens weight
182: ok 900 # molecular exact mass after hydrogen addition
182: ok 901 # molecular formula
182: ok 902 # molecular weight
182: ok 903 # molecular exact mass
182: ok 904 # molecular hydrogen-added formula
182: ok 905 # molecule + hydrogens weight
182: ok 906 # molecular exact mass after hydrogen addition
182: ok 907 # molecular formula
182: ok 908 # molecular weight
182: ok 909 # molecular exact mass
182: ok 910 # molecular hydrogen-added formula
182: ok 911 # molecule + hydrogens weight
182: ok 912 # molecular exact mass after hydrogen addition
182: ok 913 # molecular formula
182: ok 914 # molecular weight
182: ok 915 # molecular exact mass
182: ok 916 # molecular hydrogen-added formula
182: ok 917 # molecule + hydrogens weight
182: ok 918 # molecular exact mass after hydrogen addition
182: ok 919 # molecular formula
182: ok 920 # molecular weight
182: ok 921 # molecular exact mass
182: ok 922 # molecular hydrogen-added formula
182: ok 923 # molecule + hydrogens weight
182: ok 924 # molecular exact mass after hydrogen addition
182: ok 925 # molecular formula
182: ok 926 # molecular weight
182: ok 927 # molecular exact mass
182: ok 928 # molecular hydrogen-added formula
182: ok 929 # molecule + hydrogens weight
182: ok 930 # molecular exact mass after hydrogen addition
182: ok 931 # molecular formula
182: ok 932 # molecular weight
182: ok 933 # molecular exact mass
182: ok 934 # molecular hydrogen-added formula
182: ok 935 # molecule + hydrogens weight
182: ok 936 # molecular exact mass after hydrogen addition
182: ok 937 # molecular formula
182: ok 938 # molecular weight
182: ok 939 # molecular exact mass
182: ok 940 # molecular hydrogen-added formula
182: ok 941 # molecule + hydrogens weight
182: ok 942 # molecular exact mass after hydrogen addition
182: ok 943 # molecular formula
182: ok 944 # molecular weight
182: ok 945 # molecular exact mass
182: ok 946 # molecular hydrogen-added formula
182: ok 947 # molecule + hydrogens weight
182: ok 948 # molecular exact mass after hydrogen addition
182: ok 949 # molecular formula
182: ok 950 # molecular weight
182: ok 951 # molecular exact mass
182: ok 952 # molecular hydrogen-added formula
182: ok 953 # molecule + hydrogens weight
182: ok 954 # molecular exact mass after hydrogen addition
182: ok 955 # molecular formula
182: ok 956 # molecular weight
182: ok 957 # molecular exact mass
182: ok 958 # molecular hydrogen-added formula
182: ok 959 # molecule + hydrogens weight
182: ok 960 # molecular exact mass after hydrogen addition
182: ok 961 # molecular formula
182: ok 962 # molecular weight
182: ok 963 # molecular exact mass
182: ok 964 # molecular hydrogen-added formula
182: ok 965 # molecule + hydrogens weight
182: ok 966 # molecular exact mass after hydrogen addition
182: ok 967 # molecular formula
182: ok 968 # molecular weight
182: ok 969 # molecular exact mass
182: ok 970 # molecular hydrogen-added formula
182: ok 971 # molecule + hydrogens weight
182: ok 972 # molecular exact mass after hydrogen addition
182: ok 973 # molecular formula
182: ok 974 # molecular weight
182: ok 975 # molecular exact mass
182: ok 976 # molecular hydrogen-added formula
182: ok 977 # molecule + hydrogens weight
182: ok 978 # molecular exact mass after hydrogen addition
182: ok 979 # molecular formula
182: ok 980 # molecular weight
182: ok 981 # molecular exact mass
182: ok 982 # molecular hydrogen-added formula
182: ok 983 # molecule + hydrogens weight
182: ok 984 # molecular exact mass after hydrogen addition
182: ok 985 # molecular formula
182: ok 986 # molecular weight
182: ok 987 # molecular exact mass
182: ok 988 # molecular hydrogen-added formula
182: ok 989 # molecule + hydrogens weight
182: ok 990 # molecular exact mass after hydrogen addition
182: ok 991 # molecular formula
182: ok 992 # molecular weight
182: ok 993 # molecular exact mass
182: ok 994 # molecular hydrogen-added formula
182: ok 995 # molecule + hydrogens weight
182: ok 996 # molecular exact mass after hydrogen addition
182: ok 997 # molecular formula
182: ok 998 # molecular weight
182: ok 999 # molecular exact mass
182: ok 1000 # molecular hydrogen-added formula
182: ok 1001 # molecule + hydrogens weight
182: ok 1002 # molecular exact mass after hydrogen addition
182: ok 1003 # molecular formula
182: ok 1004 # molecular weight
182: ok 1005 # molecular exact mass
182: ok 1006 # molecular hydrogen-added formula
182: ok 1007 # molecule + hydrogens weight
182: ok 1008 # molecular exact mass after hydrogen addition
182: ok 1009 # molecular formula
182: ok 1010 # molecular weight
182: ok 1011 # molecular exact mass
182: ok 1012 # molecular hydrogen-added formula
182: ok 1013 # molecule + hydrogens weight
182: ok 1014 # molecular exact mass after hydrogen addition
182: ok 1015 # molecular formula
182: ok 1016 # molecular weight
182: ok 1017 # molecular exact mass
182: ok 1018 # molecular hydrogen-added formula
182: ok 1019 # molecule + hydrogens weight
182: ok 1020 # molecular exact mass after hydrogen addition
182: ok 1021 # molecular formula
182: ok 1022 # molecular weight
182: ok 1023 # molecular exact mass
182: ok 1024 # molecular hydrogen-added formula
182: ok 1025 # molecule + hydrogens weight
182: ok 1026 # molecular exact mass after hydrogen addition
182: ok 1027 # molecular formula
182: ok 1028 # molecular weight
182: ok 1029 # molecular exact mass
182: ok 1030 # molecular hydrogen-added formula
182: ok 1031 # molecule + hydrogens weight
182: ok 1032 # molecular exact mass after hydrogen addition
182: ok 1033 # molecular formula
182: ok 1034 # molecular weight
182: ok 1035 # molecular exact mass
182: ok 1036 # molecular hydrogen-added formula
182: ok 1037 # molecule + hydrogens weight
182: ok 1038 # molecular exact mass after hydrogen addition
182: ok 1039 # molecular formula
182: ok 1040 # molecular weight
182: ok 1041 # molecular exact mass
182: ok 1042 # molecular hydrogen-added formula
182: ok 1043 # molecule + hydrogens weight
182: ok 1044 # molecular exact mass after hydrogen addition
182: ok 1045 # molecular formula
182: ok 1046 # molecular weight
182: ok 1047 # molecular exact mass
182: ok 1048 # molecular hydrogen-added formula
182: ok 1049 # molecule + hydrogens weight
182: ok 1050 # molecular exact mass after hydrogen addition
182: ok 1051 # molecular formula
182: ok 1052 # molecular weight
182: ok 1053 # molecular exact mass
182: ok 1054 # molecular hydrogen-added formula
182: ok 1055 # molecule + hydrogens weight
182: ok 1056 # molecular exact mass after hydrogen addition
182: ok 1057 # molecular formula
182: ok 1058 # molecular weight
182: ok 1059 # molecular exact mass
182: ok 1060 # molecular hydrogen-added formula
182: ok 1061 # molecule + hydrogens weight
182: ok 1062 # molecular exact mass after hydrogen addition
182: ok 1063 # molecular formula
182: ok 1064 # molecular weight
182: ok 1065 # molecular exact mass
182: ok 1066 # molecular hydrogen-added formula
182: ok 1067 # molecule + hydrogens weight
182: ok 1068 # molecular exact mass after hydrogen addition
182: ok 1069 # molecular formula
182: ok 1070 # molecular weight
182: ok 1071 # molecular exact mass
182: ok 1072 # molecular hydrogen-added formula
182: ok 1073 # molecule + hydrogens weight
182: ok 1074 # molecular exact mass after hydrogen addition
182: ok 1075 # molecular formula
182: ok 1076 # molecular weight
182: ok 1077 # molecular exact mass
182: ok 1078 # molecular hydrogen-added formula
182: ok 1079 # molecule + hydrogens weight
182: ok 1080 # molecular exact mass after hydrogen addition
182: ok 1081 # molecular formula
182: ok 1082 # molecular weight
182: ok 1083 # molecular exact mass
182: ok 1084 # molecular hydrogen-added formula
182: ok 1085 # molecule + hydrogens weight
182: ok 1086 # molecular exact mass after hydrogen addition
182: ok 1087 # molecular formula
182: ok 1088 # molecular weight
182: ok 1089 # molecular exact mass
182: ok 1090 # molecular hydrogen-added formula
182: ok 1091 # molecule + hydrogens weight
182: ok 1092 # molecular exact mass after hydrogen addition
182: ok 1093 # molecular formula
182: ok 1094 # molecular weight
182: ok 1095 # molecular exact mass
182: ok 1096 # molecular hydrogen-added formula
182: ok 1097 # molecule + hydrogens weight
182: ok 1098 # molecular exact mass after hydrogen addition
182: ok 1099 # molecular formula
182: ok 1100 # molecular weight
182: ok 1101 # molecular exact mass
182: ok 1102 # molecular hydrogen-added formula
182: ok 1103 # molecule + hydrogens weight
182: ok 1104 # molecular exact mass after hydrogen addition
182: ok 1105 # molecular formula
182: ok 1106 # molecular weight
182: ok 1107 # molecular exact mass
182: ok 1108 # molecular hydrogen-added formula
182: ok 1109 # molecule + hydrogens weight
182: ok 1110 # molecular exact mass after hydrogen addition
182: ok 1111 # molecular formula
182: ok 1112 # molecular weight
182: ok 1113 # molecular exact mass
182: ok 1114 # molecular hydrogen-added formula
182: ok 1115 # molecule + hydrogens weight
182: ok 1116 # molecular exact mass after hydrogen addition
182: ok 1117 # molecular formula
182: ok 1118 # molecular weight
182: ok 1119 # molecular exact mass
182: ok 1120 # molecular hydrogen-added formula
182: ok 1121 # molecule + hydrogens weight
182: ok 1122 # molecular exact mass after hydrogen addition
182: ok 1123 # molecular formula
182: ok 1124 # molecular weight
182: ok 1125 # molecular exact mass
182: ok 1126 # molecular hydrogen-added formula
182: ok 1127 # molecule + hydrogens weight
182: ok 1128 # molecular exact mass after hydrogen addition
182: ok 1129 # molecular formula
182: ok 1130 # molecular weight
182: ok 1131 # molecular exact mass
182: ok 1132 # molecular hydrogen-added formula
182: ok 1133 # molecule + hydrogens weight
182: ok 1134 # molecular exact mass after hydrogen addition
182: ok 1135 # molecular formula
182: ok 1136 # molecular weight
182: ok 1137 # molecular exact mass
182: ok 1138 # molecular hydrogen-added formula
182: ok 1139 # molecule + hydrogens weight
182: ok 1140 # molecular exact mass after hydrogen addition
182: ok 1141 # molecular formula
182: ok 1142 # molecular weight
182: ok 1143 # molecular exact mass
182: ok 1144 # molecular hydrogen-added formula
182: ok 1145 # molecule + hydrogens weight
182: ok 1146 # molecular exact mass after hydrogen addition
182: ok 1147 # molecular formula
182: ok 1148 # molecular weight
182: ok 1149 # molecular exact mass
182: ok 1150 # molecular hydrogen-added formula
182: ok 1151 # molecule + hydrogens weight
182: ok 1152 # molecular exact mass after hydrogen addition
182: ok 1153 # molecular formula
182: ok 1154 # molecular weight
182: ok 1155 # molecular exact mass
182: ok 1156 # molecular hydrogen-added formula
182: ok 1157 # molecule + hydrogens weight
182: ok 1158 # molecular exact mass after hydrogen addition
182: ok 1159 # molecular formula
182: ok 1160 # molecular weight
182: ok 1161 # molecular exact mass
182: ok 1162 # molecular hydrogen-added formula
182: ok 1163 # molecule + hydrogens weight
182: ok 1164 # molecular exact mass after hydrogen addition
182: ok 1165 # molecular formula
182: ok 1166 # molecular weight
182: ok 1167 # molecular exact mass
182: ok 1168 # molecular hydrogen-added formula
182: ok 1169 # molecule + hydrogens weight
182: ok 1170 # molecular exact mass after hydrogen addition
182: ok 1171 # molecular formula
182: ok 1172 # molecular weight
182: ok 1173 # molecular exact mass
182: ok 1174 # molecular hydrogen-added formula
182: ok 1175 # molecule + hydrogens weight
182: ok 1176 # molecular exact mass after hydrogen addition
182: ok 1177 # molecular formula
182: ok 1178 # molecular weight
182: ok 1179 # molecular exact mass
182: ok 1180 # molecular hydrogen-added formula
182: ok 1181 # molecule + hydrogens weight
182: ok 1182 # molecular exact mass after hydrogen addition
182: ok 1183 # molecular formula
182: ok 1184 # molecular weight
182: ok 1185 # molecular exact mass
182: ok 1186 # molecular hydrogen-added formula
182: ok 1187 # molecule + hydrogens weight
182: ok 1188 # molecular exact mass after hydrogen addition
182: ok 1189 # molecular formula
182: ok 1190 # molecular weight
182: ok 1191 # molecular exact mass
182: ok 1192 # molecular hydrogen-added formula
182: ok 1193 # molecule + hydrogens weight
182: ok 1194 # molecular exact mass after hydrogen addition
182: ok 1195 # molecular formula
182: ok 1196 # molecular weight
182: ok 1197 # molecular exact mass
182: ok 1198 # molecular hydrogen-added formula
182: ok 1199 # molecule + hydrogens weight
182: ok 1200 # molecular exact mass after hydrogen addition
182: ok 1201 # molecular formula
182: ok 1202 # molecular weight
182: ok 1203 # molecular exact mass
182: ok 1204 # molecular hydrogen-added formula
182: ok 1205 # molecule + hydrogens weight
182: ok 1206 # molecular exact mass after hydrogen addition
182: ok 1207 # molecular formula
182: ok 1208 # molecular weight
182: ok 1209 # molecular exact mass
182: ok 1210 # molecular hydrogen-added formula
182: ok 1211 # molecule + hydrogens weight
182: ok 1212 # molecular exact mass after hydrogen addition
182: ok 1213 # molecular formula
182: ok 1214 # molecular weight
182: ok 1215 # molecular exact mass
182: ok 1216 # molecular hydrogen-added formula
182: ok 1217 # molecule + hydrogens weight
182: ok 1218 # molecular exact mass after hydrogen addition
182: ok 1219 # molecular formula
182: ok 1220 # molecular weight
182: ok 1221 # molecular exact mass
182: ok 1222 # molecular hydrogen-added formula
182: ok 1223 # molecule + hydrogens weight
182: ok 1224 # molecular exact mass after hydrogen addition
182: ok 1225 # molecular formula
182: ok 1226 # molecular weight
182: ok 1227 # molecular exact mass
182: ok 1228 # molecular hydrogen-added formula
182: ok 1229 # molecule + hydrogens weight
182: ok 1230 # molecular exact mass after hydrogen addition
182: ok 1231 # molecular formula
182: ok 1232 # molecular weight
182: ok 1233 # molecular exact mass
182: ok 1234 # molecular hydrogen-added formula
182: ok 1235 # molecule + hydrogens weight
182: ok 1236 # molecular exact mass after hydrogen addition
182: ok 1237 # molecular formula
182: ok 1238 # molecular weight
182: ok 1239 # molecular exact mass
182: ok 1240 # molecular hydrogen-added formula
182: ok 1241 # molecule + hydrogens weight
182: ok 1242 # molecular exact mass after hydrogen addition
182: ok 1243 # molecular formula
182: ok 1244 # molecular weight
182: ok 1245 # molecular exact mass
182: ok 1246 # molecular hydrogen-added formula
182: ok 1247 # molecule + hydrogens weight
182: ok 1248 # molecular exact mass after hydrogen addition
182: ok 1249 # molecular formula
182: ok 1250 # molecular weight
182: ok 1251 # molecular exact mass
182: ok 1252 # molecular hydrogen-added formula
182: ok 1253 # molecule + hydrogens weight
182: ok 1254 # molecular exact mass after hydrogen addition
182: ok 1255 # molecular formula
182: ok 1256 # molecular weight
182: ok 1257 # molecular exact mass
182: ok 1258 # molecular hydrogen-added formula
182: ok 1259 # molecule + hydrogens weight
182: ok 1260 # molecular exact mass after hydrogen addition
182: ok 1261 # molecular formula
182: ok 1262 # molecular weight
182: ok 1263 # molecular exact mass
182: ok 1264 # molecular hydrogen-added formula
182: ok 1265 # molecule + hydrogens weight
182: ok 1266 # molecular exact mass after hydrogen addition
182: ok 1267 # molecular formula
182: ok 1268 # molecular weight
182: ok 1269 # molecular exact mass
182: ok 1270 # molecular hydrogen-added formula
182: ok 1271 # molecule + hydrogens weight
182: ok 1272 # molecular exact mass after hydrogen addition
182: ok 1273 # molecular formula
182: ok 1274 # molecular weight
182: ok 1275 # molecular exact mass
182: ok 1276 # molecular hydrogen-added formula
182: ok 1277 # molecule + hydrogens weight
182: ok 1278 # molecular exact mass after hydrogen addition
182: ok 1279 # molecular formula
182: ok 1280 # molecular weight
182: ok 1281 # molecular exact mass
182: ok 1282 # molecular hydrogen-added formula
182: ok 1283 # molecule + hydrogens weight
182: ok 1284 # molecular exact mass after hydrogen addition
182: ok 1285 # molecular formula
182: ok 1286 # molecular weight
182: ok 1287 # molecular exact mass
182: ok 1288 # molecular hydrogen-added formula
182: ok 1289 # molecule + hydrogens weight
182: ok 1290 # molecular exact mass after hydrogen addition
182: ok 1291 # molecular formula
182: ok 1292 # molecular weight
182: ok 1293 # molecular exact mass
182: ok 1294 # molecular hydrogen-added formula
182: ok 1295 # molecule + hydrogens weight
182: ok 1296 # molecular exact mass after hydrogen addition
182: ok 1297 # molecular formula
182: ok 1298 # molecular weight
182: ok 1299 # molecular exact mass
182: ok 1300 # molecular hydrogen-added formula
182: ok 1301 # molecule + hydrogens weight
182: ok 1302 # molecular exact mass after hydrogen addition
182: ok 1303 # molecular formula
182: ok 1304 # molecular weight
182: ok 1305 # molecular exact mass
182: ok 1306 # molecular hydrogen-added formula
182: ok 1307 # molecule + hydrogens weight
182: ok 1308 # molecular exact mass after hydrogen addition
182: ok 1309 # molecular formula
182: ok 1310 # molecular weight
182: ok 1311 # molecular exact mass
182: ok 1312 # molecular hydrogen-added formula
182: ok 1313 # molecule + hydrogens weight
182: ok 1314 # molecular exact mass after hydrogen addition
182: ok 1315 # molecular formula
182: ok 1316 # molecular weight
182: ok 1317 # molecular exact mass
182: ok 1318 # molecular hydrogen-added formula
182: ok 1319 # molecule + hydrogens weight
182: ok 1320 # molecular exact mass after hydrogen addition
182: ok 1321 # molecular formula
182: ok 1322 # molecular weight
182: ok 1323 # molecular exact mass
182: ok 1324 # molecular hydrogen-added formula
182: ok 1325 # molecule + hydrogens weight
182: ok 1326 # molecular exact mass after hydrogen addition
182: ok 1327 # molecular formula
182: ok 1328 # molecular weight
182: ok 1329 # molecular exact mass
182: ok 1330 # molecular hydrogen-added formula
182: ok 1331 # molecule + hydrogens weight
182: ok 1332 # molecular exact mass after hydrogen addition
182: ok 1333 # molecular formula
182: ok 1334 # molecular weight
182: ok 1335 # molecular exact mass
182: ok 1336 # molecular hydrogen-added formula
182: ok 1337 # molecule + hydrogens weight
182: ok 1338 # molecular exact mass after hydrogen addition
182: ok 1339 # molecular formula
182: ok 1340 # molecular weight
182: ok 1341 # molecular exact mass
182: ok 1342 # molecular hydrogen-added formula
182: ok 1343 # molecule + hydrogens weight
182: ok 1344 # molecular exact mass after hydrogen addition
182: ok 1345 # molecular formula
182: ok 1346 # molecular weight
182: ok 1347 # molecular exact mass
182: ok 1348 # molecular hydrogen-added formula
182: ok 1349 # molecule + hydrogens weight
182: ok 1350 # molecular exact mass after hydrogen addition
182: ok 1351 # molecular formula
182: ok 1352 # molecular weight
182: ok 1353 # molecular exact mass
182: ok 1354 # molecular hydrogen-added formula
182: ok 1355 # molecule + hydrogens weight
182: ok 1356 # molecular exact mass after hydrogen addition
182: ok 1357 # molecular formula
182: ok 1358 # molecular weight
182: ok 1359 # molecular exact mass
182: ok 1360 # molecular hydrogen-added formula
182: ok 1361 # molecule + hydrogens weight
182: ok 1362 # molecular exact mass after hydrogen addition
182: ok 1363 # molecular formula
182: ok 1364 # molecular weight
182: ok 1365 # molecular exact mass
182: ok 1366 # molecular hydrogen-added formula
182: ok 1367 # molecule + hydrogens weight
182: ok 1368 # molecular exact mass after hydrogen addition
182: ok 1369 # molecular formula
182: ok 1370 # molecular weight
182: ok 1371 # molecular exact mass
182: ok 1372 # molecular hydrogen-added formula
182: ok 1373 # molecule + hydrogens weight
182: ok 1374 # molecular exact mass after hydrogen addition
182: ok 1375 # molecular formula
182: ok 1376 # molecular weight
182: ok 1377 # molecular exact mass
182: ok 1378 # molecular hydrogen-added formula
182: ok 1379 # molecule + hydrogens weight
182: ok 1380 # molecular exact mass after hydrogen addition
182: ok 1381 # molecular formula
182: ok 1382 # molecular weight
182: ok 1383 # molecular exact mass
182: ok 1384 # molecular hydrogen-added formula
182: ok 1385 # molecule + hydrogens weight
182: ok 1386 # molecular exact mass after hydrogen addition
182: ok 1387 # molecular formula
182: ok 1388 # molecular weight
182: ok 1389 # molecular exact mass
182: ok 1390 # molecular hydrogen-added formula
182: ok 1391 # molecule + hydrogens weight
182: ok 1392 # molecular exact mass after hydrogen addition
182: ok 1393 # molecular formula
182: ok 1394 # molecular weight
182: ok 1395 # molecular exact mass
182: ok 1396 # molecular hydrogen-added formula
182: ok 1397 # molecule + hydrogens weight
182: ok 1398 # molecular exact mass after hydrogen addition
182: ok 1399 # molecular formula
182: ok 1400 # molecular weight
182: ok 1401 # molecular exact mass
182: ok 1402 # molecular hydrogen-added formula
182: ok 1403 # molecule + hydrogens weight
182: ok 1404 # molecular exact mass after hydrogen addition
182: ok 1405 # molecular formula
182: ok 1406 # molecular weight
182: ok 1407 # molecular exact mass
182: ok 1408 # molecular hydrogen-added formula
182: ok 1409 # molecule + hydrogens weight
182: ok 1410 # molecular exact mass after hydrogen addition
182: ok 1411 # molecular formula
182: ok 1412 # molecular weight
182: ok 1413 # molecular exact mass
182: ok 1414 # molecular hydrogen-added formula
182: ok 1415 # molecule + hydrogens weight
182: ok 1416 # molecular exact mass after hydrogen addition
182: ok 1417 # molecular formula
182: ok 1418 # molecular weight
182: ok 1419 # molecular exact mass
182: ok 1420 # molecular hydrogen-added formula
182: ok 1421 # molecule + hydrogens weight
182: ok 1422 # molecular exact mass after hydrogen addition
182: ok 1423 # molecular formula
182: ok 1424 # molecular weight
182: ok 1425 # molecular exact mass
182: ok 1426 # molecular hydrogen-added formula
182: ok 1427 # molecule + hydrogens weight
182: ok 1428 # molecular exact mass after hydrogen addition
182: ok 1429 # molecular formula
182: ok 1430 # molecular weight
182: ok 1431 # molecular exact mass
182: ok 1432 # molecular hydrogen-added formula
182: ok 1433 # molecule + hydrogens weight
182: ok 1434 # molecular exact mass after hydrogen addition
182: ok 1435 # molecular formula
182: ok 1436 # molecular weight
182: ok 1437 # molecular exact mass
182: ok 1438 # molecular hydrogen-added formula
182: ok 1439 # molecule + hydrogens weight
182: ok 1440 # molecular exact mass after hydrogen addition
182: ok 1441 # molecular formula
182: ok 1442 # molecular weight
182: ok 1443 # molecular exact mass
182: ok 1444 # molecular hydrogen-added formula
182: ok 1445 # molecule + hydrogens weight
182: ok 1446 # molecular exact mass after hydrogen addition
182: ok 1447 # molecular formula
182: ok 1448 # molecular weight
182: ok 1449 # molecular exact mass
182: ok 1450 # molecular hydrogen-added formula
182: ok 1451 # molecule + hydrogens weight
182: ok 1452 # molecular exact mass after hydrogen addition
182: ok 1453 # molecular formula
182: ok 1454 # molecular weight
182: ok 1455 # molecular exact mass
182: ok 1456 # molecular hydrogen-added formula
182: ok 1457 # molecule + hydrogens weight
182: ok 1458 # molecular exact mass after hydrogen addition
182: ok 1459 # molecular formula
182: ok 1460 # molecular weight
182: ok 1461 # molecular exact mass
182: ok 1462 # molecular hydrogen-added formula
182: ok 1463 # molecule + hydrogens weight
182: ok 1464 # molecular exact mass after hydrogen addition
182: ok 1465 # molecular formula
182: ok 1466 # molecular weight
182: ok 1467 # molecular exact mass
182: ok 1468 # molecular hydrogen-added formula
182: ok 1469 # molecule + hydrogens weight
182: ok 1470 # molecular exact mass after hydrogen addition
182: ok 1471 # molecular formula
182: ok 1472 # molecular weight
182: ok 1473 # molecular exact mass
182: ok 1474 # molecular hydrogen-added formula
182: ok 1475 # molecule + hydrogens weight
182: ok 1476 # molecular exact mass after hydrogen addition
182: ok 1477 # molecular formula
182: ok 1478 # molecular weight
182: ok 1479 # molecular exact mass
182: ok 1480 # molecular hydrogen-added formula
182: ok 1481 # molecule + hydrogens weight
182: ok 1482 # molecular exact mass after hydrogen addition
182: ok 1483 # molecular formula
182: ok 1484 # molecular weight
182: ok 1485 # molecular exact mass
182: ok 1486 # molecular hydrogen-added formula
182: ok 1487 # molecule + hydrogens weight
182: ok 1488 # molecular exact mass after hydrogen addition
182: ok 1489 # molecular formula
182: ok 1490 # molecular weight
182: ok 1491 # molecular exact mass
182: ok 1492 # molecular hydrogen-added formula
182: ok 1493 # molecule + hydrogens weight
182: ok 1494 # molecular exact mass after hydrogen addition
182: ok 1495 # molecular formula
182: ok 1496 # molecular weight
182: ok 1497 # molecular exact mass
182: ok 1498 # molecular hydrogen-added formula
182: ok 1499 # molecule + hydrogens weight
182: ok 1500 # molecular exact mass after hydrogen addition
182: ok 1501 # molecular formula
182: ok 1502 # molecular weight
182: ok 1503 # molecular exact mass
182: ok 1504 # molecular hydrogen-added formula
182: ok 1505 # molecule + hydrogens weight
182: ok 1506 # molecular exact mass after hydrogen addition
182: ok 1507 # molecular formula
182: ok 1508 # molecular weight
182: ok 1509 # molecular exact mass
182: ok 1510 # molecular hydrogen-added formula
182: ok 1511 # molecule + hydrogens weight
182: ok 1512 # molecular exact mass after hydrogen addition
182: ok 1513 # molecular formula
182: ok 1514 # molecular weight
182: ok 1515 # molecular exact mass
182: ok 1516 # molecular hydrogen-added formula
182: ok 1517 # molecule + hydrogens weight
182: ok 1518 # molecular exact mass after hydrogen addition
182: ok 1519 # molecular formula
182: ok 1520 # molecular weight
182: ok 1521 # molecular exact mass
182: ok 1522 # molecular hydrogen-added formula
182: ok 1523 # molecule + hydrogens weight
182: ok 1524 # molecular exact mass after hydrogen addition
182: ok 1525 # molecular formula
182: ok 1526 # molecular weight
182: ok 1527 # molecular exact mass
182: ok 1528 # molecular hydrogen-added formula
182: ok 1529 # molecule + hydrogens weight
182: ok 1530 # molecular exact mass after hydrogen addition
182: ok 1531 # molecular formula
182: ok 1532 # molecular weight
182: ok 1533 # molecular exact mass
182: ok 1534 # molecular hydrogen-added formula
182: ok 1535 # molecule + hydrogens weight
182: ok 1536 # molecular exact mass after hydrogen addition
182: ok 1537 # molecular formula
182: ok 1538 # molecular weight
182: ok 1539 # molecular exact mass
182: ok 1540 # molecular hydrogen-added formula
182: ok 1541 # molecule + hydrogens weight
182: ok 1542 # molecular exact mass after hydrogen addition
182: ok 1543 # molecular formula
182: ok 1544 # molecular weight
182: ok 1545 # molecular exact mass
182: ok 1546 # molecular hydrogen-added formula
182: ok 1547 # molecule + hydrogens weight
182: ok 1548 # molecular exact mass after hydrogen addition
182: ok 1549 # molecular formula
182: ok 1550 # molecular weight
182: ok 1551 # molecular exact mass
182: ok 1552 # molecular hydrogen-added formula
182: ok 1553 # molecule + hydrogens weight
182: ok 1554 # molecular exact mass after hydrogen addition
182: ok 1555 # molecular formula
182: ok 1556 # molecular weight
182: ok 1557 # molecular exact mass
182: ok 1558 # molecular hydrogen-added formula
182: ok 1559 # molecule + hydrogens weight
182: ok 1560 # molecular exact mass after hydrogen addition
182: ok 1561 # molecular formula
182: ok 1562 # molecular weight
182: ok 1563 # molecular exact mass
182: ok 1564 # molecular hydrogen-added formula
182: ok 1565 # molecule + hydrogens weight
182: ok 1566 # molecular exact mass after hydrogen addition
182: ok 1567 # molecular formula
182: ok 1568 # molecular weight
182: ok 1569 # molecular exact mass
182: ok 1570 # molecular hydrogen-added formula
182: ok 1571 # molecule + hydrogens weight
182: ok 1572 # molecular exact mass after hydrogen addition
182: ok 1573 # molecular formula
182: ok 1574 # molecular weight
182: ok 1575 # molecular exact mass
182: ok 1576 # molecular hydrogen-added formula
182: ok 1577 # molecule + hydrogens weight
182: ok 1578 # molecular exact mass after hydrogen addition
182: ok 1579 # molecular formula
182: ok 1580 # molecular weight
182: ok 1581 # molecular exact mass
182: ok 1582 # molecular hydrogen-added formula
182: ok 1583 # molecule + hydrogens weight
182: ok 1584 # molecular exact mass after hydrogen addition
182: ok 1585 # molecular formula
182: ok 1586 # molecular weight
182: ok 1587 # molecular exact mass
182: ok 1588 # molecular hydrogen-added formula
182: ok 1589 # molecule + hydrogens weight
182: ok 1590 # molecular exact mass after hydrogen addition
182: ok 1591 # molecular formula
182: ok 1592 # molecular weight
182: ok 1593 # molecular exact mass
182: ok 1594 # molecular hydrogen-added formula
182: ok 1595 # molecule + hydrogens weight
182: ok 1596 # molecular exact mass after hydrogen addition
182: ok 1597 # molecular formula
182: ok 1598 # molecular weight
182: ok 1599 # molecular exact mass
182: ok 1600 # molecular hydrogen-added formula
182: ok 1601 # molecule + hydrogens weight
182: ok 1602 # molecular exact mass after hydrogen addition
182: ok 1603 # molecular formula
182: ok 1604 # molecular weight
182: ok 1605 # molecular exact mass
182: ok 1606 # molecular hydrogen-added formula
182: ok 1607 # molecule + hydrogens weight
182: ok 1608 # molecular exact mass after hydrogen addition
182: ok 1609 # molecular formula
182: ok 1610 # molecular weight
182: ok 1611 # molecular exact mass
182: ok 1612 # molecular hydrogen-added formula
182: ok 1613 # molecule + hydrogens weight
182: ok 1614 # molecular exact mass after hydrogen addition
182: ok 1615 # molecular formula
182: ok 1616 # molecular weight
182: ok 1617 # molecular exact mass
182: ok 1618 # molecular hydrogen-added formula
182: ok 1619 # molecule + hydrogens weight
182: ok 1620 # molecular exact mass after hydrogen addition
182: ok 1621 # molecular formula
182: ok 1622 # molecular weight
182: ok 1623 # molecular exact mass
182: ok 1624 # molecular hydrogen-added formula
182: ok 1625 # molecule + hydrogens weight
182: ok 1626 # molecular exact mass after hydrogen addition
182: ok 1627 # molecular formula
182: ok 1628 # molecular weight
182: ok 1629 # molecular exact mass
182: ok 1630 # molecular hydrogen-added formula
182: ok 1631 # molecule + hydrogens weight
182: ok 1632 # molecular exact mass after hydrogen addition
182: 1..1632
165/219 Test #182: test_formula_1 ...................   Passed    9.83 sec
test 197
        Start 197: test_phmodel_1
197: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "phmodel" "1"
197: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
197: Environment variables: 
197:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
197:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
197: Test timeout computed to be: 6000
183: # Unit tests for z-matrix conversion 
183: 1..2
183: ok 1
183: ok 2
166/219 Test #183: test_internalcoord_1 .............   Passed    9.81 sec
test 198
        Start 198: test_residue_1
198: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "residue" "1"
198: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
198: Environment variables: 
198:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
198:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
198: Test timeout computed to be: 6000
184: # Testing invalid SMARTS parsing...
184: ok 1
184: ok 2
184: ok 3
184: ok 4
184: ok 5
184: ok 6
184: ok 7
184: ok 8
184: ok 9
184: ok 10
184: ok 11
184: ok 12
184: ok 13
184: ok 14
184: ok 15
184: ok 16
184: ok 17
184: ok 18
184: ok 19
184: ok 20 # random data #1 
184: # read 104188
184: ok 21 # random data #2 
184: # read 77768
184: ok 22 # random data #3 
184: # read 100058
184: 1..22
167/219 Test #184: test_invalidsmarts_1 .............   Passed    9.81 sec
test 199
        Start 199: test_ringtest_1
199: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "ringtest" "1"
199: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
199: Environment variables: 
199:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
199:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
199: Test timeout computed to be: 6000
185: Usage: invalid-smiles
185:    Tests Open Babel SMILES parsing - rejecting invalid patterns.
168/219 Test #185: test_invalidsmiles_1 .............   Passed    9.82 sec
test 200
        Start 200: test_smartstest_1
200: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "smartstest" "1"
200: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
200: Environment variables: 
200:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
200:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
200: Test timeout computed to be: 6000
186: 
186: # Testing iterators...  
186: ok 1
186: ok 2
186: ok 3
186: ok 4
186: ok 5
186: ok 6
186: ok 7
186: ok 8
186: ok 9
186: ok 10
186: ok 11
186: ok 12
186: ok 13
186: ok 14
186: ok 15
186: ok 16
186: ok 17
186: ok 18
186: ok 19
186: ok 20
186: ok 21
186: ok 22
186: ok 23
186: ok 24
186: ok 25
186: ok 26
186: ok 27
186: ok 28
186: ok 29
186: ok 30
186: ok 31
186: ok 32
186: ok 33
186: ok 34
186: ok 35
186: ok 36
186: ok 37
186: ok 38
186: ok 39
186: ok 40
186: ok 41
186: ok 42
186: ok 43
186: ok 44
186: ok 45
186: ok 46
186: ok 47
186: ok 48
186: ok 49
186: ok 50
186: ok 51
186: ok 52
186: ok 53
186: ok 54
186: ok 55
186: ok 56
186: ok 57
186: ok 58
186: ok 59
186: ok 60
186: ok 61
186: ok 62
186: ok 63
186: ok 64
186: ok 65
186: ok 66
186: ok 67
186: ok 68
186: ok 69
186: ok 70
186: ok 71
186: ok 72
186: ok 73
186: ok 74
186: ok 75
186: ok 76
186: ok 77
186: ok 78
186: ok 79
186: ok 80
186: ok 81
186: ok 82
186: ok 83
186: ok 84
186: ok 85
186: ok 86
186: ok 87
186: ok 88
186: ok 89
186: ok 90
186: ok 91
186: ok 92
186: ok 93
186: ok 94
186: ok 95
186: ok 96
186: ok 97
186: ok 98
186: ok 99
186: ok 100
186: ok 101
186: ok 102
186: ok 103
186: ok 104
186: ok 105
186: ok 106
186: ok 107
186: ok 108
186: ok 109
186: ok 110
186: ok 111
186: ok 112
186: ok 113
186: ok 114
186: ok 115
186: ok 116
186: ok 117
186: ok 118
186: ok 119
186: ok 120
186: ok 121
186: ok 122
186: ok 123
186: ok 124
186: ok 125
186: ok 126
186: ok 127
186: ok 128
186: ok 129
186: ok 130
186: ok 131
186: ok 132
186: ok 133
186: ok 134
186: ok 135
186: ok 136
186: ok 137
186: ok 138
186: ok 139
186: ok 140
186: ok 141
186: ok 142
186: ok 143
186: ok 144
186: ok 145
186: ok 146
186: ok 147
186: ok 148
186: ok 149
186: ok 150
186: ok 151
186: ok 152
186: ok 153
186: ok 154
186: ok 155
186: ok 156
186: ok 157
186: ok 158
186: ok 159
186: ok 160
186: ok 161
186: ok 162
186: ok 163
186: ok 164
186: ok 165
186: ok 166
186: ok 167
186: ok 168
186: ok 169
186: ok 170
186: ok 171
186: ok 172
186: ok 173
186: ok 174
186: ok 175
186: ok 176
186: ok 177
186: ok 178
186: ok 179
186: ok 180
186: ok 181
186: ok 182
186: ok 183
186: ok 184
186: ok 185
186: ok 186
186: ok 187
186: ok 188
186: ok 189
186: ok 190
186: ok 191
186: ok 192
186: ok 193
186: ok 194
186: ok 195
186: ok 196
186: ok 197
186: ok 198
186: ok 199
186: ok 200
186: ok 201
186: ok 202
186: ok 203
186: ok 204
186: ok 205
186: ok 206
186: ok 207
186: ok 208
186: ok 209
186: ok 210
186: ok 211
186: ok 212
186: ok 213
186: ok 214
186: ok 215
186: ok 216
186: ok 217
186: ok 218
186: ok 219
186: ok 220
186: ok 221
186: ok 222
186: ok 223
186: ok 224
186: ok 225
186: ok 226
186: ok 227
186: ok 228
186: ok 229
186: ok 230
186: ok 231
186: ok 232
186: ok 233
186: ok 234
186: ok 235
186: ok 236
186: ok 237
186: ok 238
186: ok 239
186: ok 240
186: ok 241
186: ok 242
186: ok 243
186: ok 244
186: ok 245
186: ok 246
186: ok 247
186: ok 248
186: ok 249
186: ok 250
186: ok 251
186: ok 252
186: ok 253
186: ok 254
186: ok 255
186: ok 256
186: ok 257
186: ok 258
186: ok 259
186: ok 260
186: ok 261
186: ok 262
186: ok 263
186: ok 264
186: ok 265
186: ok 266
186: ok 267
186: ok 268
186: ok 269
186: ok 270
186: ok 271
186: ok 272
186: ok 273
186: ok 274
186: ok 275
186: ok 276
186: ok 277
186: ok 278
186: ok 279
186: ok 280
186: ok 281
186: ok 282
186: ok 283
186: ok 284
186: ok 285
186: ok 286
186: ok 287
186: ok 288
186: ok 289
186: ok 290
186: ok 291
186: ok 292
186: ok 293
186: ok 294
186: ok 295
186: ok 296
186: ok 297
186: ok 298
186: ok 299
186: ok 300
186: ok 301
186: ok 302
186: ok 303
186: ok 304
186: ok 305
186: ok 306
186: ok 307
186: ok 308
186: ok 309
186: ok 310
186: ok 311
186: ok 312
186: ok 313
186: ok 314
186: ok 315
186: ok 316
186: ok 317
186: ok 318
186: ok 319
186: ok 320
186: ok 321
186: ok 322
186: ok 323
186: ok 324
186: ok 325
186: ok 326
186: ok 327
186: ok 328
186: ok 329
186: ok 330
186: ok 331
186: ok 332
186: ok 333
186: ok 334
186: ok 335
186: ok 336
186: ok 337
186: ok 338
186: ok 339
186: ok 340
186: ok 341
186: ok 342
186: ok 343
186: ok 344
186: ok 345
186: ok 346
186: ok 347
186: ok 348
186: ok 349
186: ok 350
186: ok 351
186: ok 352
186: ok 353
186: ok 354
186: ok 355
186: ok 356
186: ok 357
186: ok 358
186: ok 359
186: ok 360
186: ok 361
186: ok 362
186: ok 363
186: ok 364
186: ok 365
186: ok 366
186: ok 367
186: ok 368
186: ok 369
186: ok 370
186: ok 371
186: ok 372
186: ok 373
186: ok 374
186: ok 375
186: ok 376
186: ok 377
186: ok 378
186: ok 379
186: ok 380
186: ok 381
186: ok 382
186: ok 383
186: ok 384
186: ok 385
186: ok 386
186: ok 387
186: ok 388
186: ok 389
186: ok 390
186: ok 391
186: ok 392
186: ok 393
186: ok 394
186: ok 395
186: ok 396
186: ok 397
186: ok 398
186: ok 399
186: ok 400
186: ok 401
186: ok 402
186: ok 403
186: ok 404
186: ok 405
186: ok 406
186: ok 407
186: ok 408
186: ok 409
186: ok 410
186: ok 411
186: ok 412
186: ok 413
186: ok 414
186: ok 415
186: ok 416
186: ok 417
186: ok 418
186: ok 419
186: ok 420
186: ok 421
186: ok 422
186: ok 423
186: ok 424
186: ok 425
186: ok 426
186: ok 427
186: ok 428
186: ok 429
186: ok 430
186: ok 431
186: ok 432
186: ok 433
186: ok 434
186: ok 435
186: ok 436
186: ok 437
186: ok 438
186: ok 439
186: ok 440
186: ok 441
186: ok 442
186: ok 443
186: ok 444
186: ok 445
186: ok 446
186: ok 447
186: ok 448
186: ok 449
186: ok 450
186: ok 451
186: ok 452
186: ok 453
186: ok 454
186: ok 455
186: ok 456
186: ok 457
186: ok 458
186: ok 459
186: ok 460
186: ok 461
186: ok 462
186: ok 463
186: ok 464
186: ok 465
186: ok 466
186: ok 467
186: ok 468
186: ok 469
186: ok 470
186: ok 471
186: ok 472
186: ok 473
186: ok 474
186: ok 475
186: ok 476
186: ok 477
186: ok 478
186: ok 479
186: ok 480
186: ok 481
186: ok 482
186: ok 483
186: ok 484
186: ok 485
186: ok 486
186: ok 487
186: ok 488
186: ok 489
186: ok 490
186: ok 491
186: ok 492
186: ok 493
186: ok 494
186: ok 495
186: ok 496
186: ok 497
186: ok 498
186: ok 499
186: ok 500
186: ok 501
186: ok 502
186: ok 503
186: ok 504
186: ok 505
186: ok 506
186: ok 507
186: ok 508
186: ok 509
186: ok 510
186: ok 511
186: ok 512
186: ok 513
186: ok 514
186: ok 515
186: ok 516
186: ok 517
186: ok 518
186: ok 519
186: ok 520
186: ok 521
186: ok 522
186: ok 523
186: ok 524
186: ok 525
186: ok 526
186: ok 527
186: ok 528
186: ok 529
186: ok 530
186: ok 531
186: ok 532
186: ok 533
186: ok 534
186: ok 535
186: ok 536
186: ok 537
186: ok 538
186: ok 539
186: ok 540
186: ok 541
186: ok 542
186: ok 543
186: ok 544
186: ok 545
186: ok 546
186: ok 547
186: ok 548
186: ok 549
186: ok 550
186: ok 551
186: ok 552
186: ok 553
186: ok 554
186: ok 555
186: ok 556
186: ok 557
186: ok 558
186: ok 559
186: ok 560
186: ok 561
186: ok 562
186: ok 563
186: ok 564
186: ok 565
186: ok 566
186: ok 567
186: ok 568
186: ok 569
186: ok 570
186: ok 571
186: ok 572
186: ok 573
186: ok 574
186: ok 575
186: ok 576
186: ok 577
186: ok 578
186: ok 579
186: ok 580
186: ok 581
186: ok 582
186: ok 583
186: ok 584
186: ok 585
186: ok 586
186: ok 587
186: ok 588
186: ok 589
186: ok 590
186: ok 591
186: ok 592
186: ok 593
186: ok 594
186: ok 595
186: ok 596
186: ok 597
186: ok 598
186: ok 599
186: ok 600
186: ok 601
186: ok 602
186: ok 603
186: ok 604
186: ok 605
186: ok 606
186: ok 607
186: ok 608
186: ok 609
186: ok 610
186: ok 611
186: ok 612
186: ok 613
186: ok 614
186: ok 615
186: ok 616
186: ok 617
186: ok 618
186: ok 619
186: ok 620
186: ok 621
186: ok 622
186: ok 623
186: ok 624
186: ok 625
186: ok 626
186: ok 627
186: ok 628
186: ok 629
186: ok 630
186: ok 631
186: ok 632
186: ok 633
186: ok 634
186: ok 635
186: ok 636
186: ok 637
186: ok 638
186: ok 639
186: ok 640
186: ok 641
186: ok 642
186: ok 643
186: ok 644
186: ok 645
186: ok 646
186: ok 647
186: ok 648
186: ok 649
186: ok 650
186: ok 651
186: ok 652
186: ok 653
186: ok 654
186: ok 655
186: ok 656
186: ok 657
186: ok 658
186: ok 659
186: ok 660
186: ok 661
186: ok 662
186: ok 663
186: ok 664
186: ok 665
186: ok 666
186: ok 667
186: ok 668
186: ok 669
186: ok 670
186: ok 671
186: ok 672
186: ok 673
186: ok 674
186: ok 675
186: ok 676
186: ok 677
186: ok 678
186: ok 679
186: ok 680
186: ok 681
186: ok 682
186: ok 683
186: ok 684
186: ok 685
186: ok 686
186: ok 687
186: ok 688
186: ok 689
186: ok 690
186: ok 691
186: ok 692
186: ok 693
186: ok 694
186: ok 695
186: ok 696
186: ok 697
186: ok 698
186: ok 699
186: ok 700
186: ok 701
186: ok 702
186: ok 703
186: ok 704
186: ok 705
186: ok 706
186: ok 707
186: ok 708
186: ok 709
186: ok 710
186: ok 711
186: ok 712
186: ok 713
186: ok 714
186: ok 715
186: ok 716
186: ok 717
186: ok 718
186: ok 719
186: ok 720
186: ok 721
186: ok 722
186: ok 723
186: ok 724
186: ok 725
186: ok 726
186: ok 727
186: ok 728
186: ok 729
186: ok 730
186: ok 731
186: ok 732
186: ok 733
186: ok 734
186: ok 735
186: ok 736
186: ok 737
186: ok 738
186: ok 739
186: ok 740
186: ok 741
186: ok 742
186: ok 743
186: ok 744
186: ok 745
186: ok 746
186: ok 747
186: ok 748
186: ok 749
186: ok 750
186: ok 751
186: ok 752
186: ok 753
186: ok 754
186: ok 755
186: ok 756
186: ok 757
186: ok 758
186: ok 759
186: ok 760
186: ok 761
186: ok 762
186: ok 763
186: ok 764
186: ok 765
186: ok 766
186: ok 767
186: ok 768
186: ok 769
186: ok 770
186: ok 771
186: ok 772
186: ok 773
186: ok 774
186: ok 775
186: ok 776
186: ok 777
186: ok 778
186: ok 779
186: ok 780
186: ok 781
186: ok 782
186: ok 783
186: ok 784
186: ok 785
186: ok 786
186: ok 787
186: ok 788
186: ok 789
186: ok 790
186: ok 791
186: ok 792
186: ok 793
186: ok 794
186: ok 795
186: ok 796
186: ok 797
186: ok 798
186: ok 799
186: ok 800
186: ok 801
186: ok 802
186: ok 803
186: ok 804
186: ok 805
186: ok 806
186: ok 807
186: ok 808
186: ok 809
186: ok 810
186: ok 811
186: ok 812
186: ok 813
186: ok 814
186: ok 815
186: ok 816
186: ok 817
186: ok 818
186: ok 819
186: ok 820
186: ok 821
186: ok 822
186: ok 823
186: ok 824
186: ok 825
186: ok 826
186: ok 827
186: ok 828
186: ok 829
186: ok 830
186: ok 831
186: ok 832
186: ok 833
186: ok 834
186: ok 835
186: ok 836
186: ok 837
186: ok 838
186: ok 839
186: ok 840
186: ok 841
186: ok 842
186: ok 843
186: ok 844
186: ok 845
186: ok 846
186: ok 847
186: ok 848
186: ok 849
186: ok 850
186: ok 851
186: ok 852
186: ok 853
186: ok 854
186: ok 855
186: ok 856
186: ok 857
186: ok 858
186: ok 859
186: ok 860
186: ok 861
186: ok 862
186: ok 863
186: ok 864
186: ok 865
186: ok 866
186: ok 867
186: ok 868
186: ok 869
186: ok 870
186: ok 871
186: ok 872
186: ok 873
186: ok 874
186: ok 875
186: ok 876
186: ok 877
186: ok 878
186: ok 879
186: ok 880
186: ok 881
186: ok 882
186: ok 883
186: ok 884
186: ok 885
186: ok 886
186: ok 887
186: ok 888
186: ok 889
186: ok 890
186: ok 891
186: ok 892
186: ok 893
186: ok 894
186: ok 895
186: ok 896
186: ok 897
186: ok 898
186: ok 899
186: ok 900
186: ok 901
186: ok 902
186: ok 903
186: ok 904
186: ok 905
186: ok 906
186: ok 907
186: ok 908
186: ok 909
186: ok 910
186: ok 911
186: ok 912
186: ok 913
186: ok 914
186: ok 915
186: ok 916
186: ok 917
186: ok 918
186: ok 919
186: ok 920
186: ok 921
186: ok 922
186: ok 923
186: ok 924
186: ok 925
186: ok 926
186: ok 927
186: ok 928
186: ok 929
186: ok 930
186: ok 931
186: ok 932
186: ok 933
186: ok 934
186: ok 935
186: ok 936
186: ok 937
186: ok 938
186: ok 939
186: ok 940
186: ok 941
186: ok 942
186: ok 943
186: ok 944
186: ok 945
186: ok 946
186: ok 947
186: ok 948
186: ok 949
186: ok 950
186: ok 951
186: ok 952
186: ok 953
186: ok 954
186: ok 955
186: ok 956
186: ok 957
186: ok 958
186: ok 959
186: ok 960
186: ok 961
186: ok 962
186: ok 963
186: ok 964
186: ok 965
186: ok 966
186: ok 967
186: ok 968
186: ok 969
186: ok 970
186: ok 971
186: ok 972
186: ok 973
186: ok 974
186: ok 975
186: ok 976
186: ok 977
186: ok 978
186: ok 979
186: ok 980
186: ok 981
186: ok 982
186: ok 983
186: ok 984
186: ok 985
186: ok 986
186: ok 987
186: ok 988
186: ok 989
186: ok 990
186: ok 991
186: ok 992
186: ok 993
186: ok 994
186: ok 995
186: ok 996
186: ok 997
186: ok 998
186: ok 999
186: ok 1000
186: ok 1001
186: ok 1002
186: ok 1003
186: ok 1004
186: ok 1005
186: ok 1006
186: ok 1007
186: ok 1008
186: ok 1009
186: ok 1010
186: ok 1011
186: ok 1012
186: ok 1013
186: ok 1014
186: ok 1015
186: ok 1016
186: ok 1017
186: ok 1018
186: ok 1019
186: ok 1020
186: ok 1021
186: ok 1022
186: ok 1023
186: ok 1024
186: ok 1025
186: ok 1026
186: ok 1027
186: ok 1028
186: ok 1029
186: ok 1030
186: ok 1031
186: ok 1032
186: ok 1033
186: ok 1034
186: ok 1035
186: ok 1036
186: ok 1037
186: ok 1038
186: ok 1039
186: ok 1040
186: ok 1041
186: ok 1042
186: ok 1043
186: ok 1044
186: ok 1045
186: ok 1046
186: ok 1047
186: ok 1048
186: ok 1049
186: ok 1050
186: ok 1051
186: ok 1052
186: ok 1053
186: ok 1054
186: ok 1055
186: ok 1056
186: ok 1057
186: ok 1058
186: ok 1059
186: ok 1060
186: ok 1061
186: ok 1062
186: ok 1063
186: ok 1064
186: ok 1065
186: ok 1066
186: ok 1067
186: ok 1068
186: ok 1069
186: ok 1070
186: ok 1071
186: ok 1072
186: ok 1073
186: ok 1074
186: ok 1075
186: ok 1076
186: ok 1077
186: ok 1078
186: ok 1079
186: ok 1080
186: ok 1081
186: ok 1082
186: ok 1083
186: ok 1084
186: ok 1085
186: ok 1086
186: ok 1087
186: ok 1088
186: ok 1089
186: ok 1090
186: ok 1091
186: ok 1092
186: ok 1093
186: ok 1094
186: ok 1095
186: ok 1096
186: ok 1097
186: ok 1098
186: ok 1099
186: ok 1100
186: ok 1101
186: ok 1102
186: ok 1103
186: ok 1104
186: ok 1105
186: ok 1106
186: ok 1107
186: ok 1108
186: ok 1109
186: ok 1110
186: ok 1111
186: ok 1112
186: ok 1113
186: ok 1114
186: ok 1115
186: ok 1116
186: ok 1117
186: ok 1118
186: ok 1119
186: ok 1120
186: ok 1121
186: ok 1122
186: ok 1123
186: ok 1124
186: ok 1125
186: ok 1126
186: ok 1127
186: ok 1128
186: ok 1129
186: ok 1130
186: ok 1131
186: ok 1132
186: ok 1133
186: ok 1134
186: ok 1135
186: ok 1136
186: ok 1137
186: ok 1138
186: ok 1139
186: ok 1140
186: ok 1141
186: ok 1142
186: ok 1143
186: ok 1144
186: ok 1145
186: ok 1146
186: ok 1147
186: ok 1148
186: ok 1149
186: ok 1150
186: ok 1151
186: ok 1152
186: ok 1153
186: ok 1154
186: ok 1155
186: ok 1156
186: ok 1157
186: ok 1158
186: ok 1159
186: ok 1160
186: ok 1161
186: ok 1162
186: ok 1163
186: ok 1164
186: ok 1165
186: ok 1166
186: ok 1167
186: ok 1168
186: ok 1169
186: ok 1170
186: ok 1171
186: ok 1172
186: ok 1173
186: ok 1174
186: ok 1175
186: ok 1176
186: ok 1177
186: ok 1178
186: ok 1179
186: ok 1180
186: ok 1181
186: ok 1182
186: ok 1183
186: ok 1184
186: ok 1185
186: ok 1186
186: ok 1187
186: ok 1188
186: ok 1189
186: ok 1190
186: ok 1191
186: ok 1192
186: ok 1193
186: ok 1194
186: ok 1195
186: ok 1196
186: ok 1197
186: ok 1198
186: ok 1199
186: ok 1200
186: ok 1201
186: ok 1202
186: ok 1203
186: ok 1204
186: ok 1205
186: ok 1206
186: ok 1207
186: ok 1208
186: ok 1209
186: ok 1210
186: ok 1211
186: ok 1212
186: ok 1213
186: ok 1214
186: ok 1215
186: ok 1216
186: ok 1217
186: ok 1218
186: ok 1219
186: ok 1220
186: ok 1221
186: ok 1222
186: ok 1223
186: ok 1224
186: ok 1225
186: ok 1226
186: ok 1227
186: ok 1228
186: ok 1229
186: ok 1230
186: ok 1231
186: ok 1232
186: ok 1233
186: ok 1234
186: ok 1235
186: ok 1236
186: ok 1237
186: ok 1238
186: ok 1239
186: ok 1240
186: ok 1241
186: ok 1242
186: ok 1243
186: ok 1244
186: ok 1245
186: ok 1246
186: ok 1247
186: ok 1248
186: ok 1249
186: ok 1250
186: ok 1251
186: ok 1252
186: ok 1253
186: ok 1254
186: ok 1255
186: ok 1256
186: ok 1257
186: ok 1258
186: ok 1259
186: ok 1260
186: ok 1261
186: ok 1262
186: ok 1263
186: ok 1264
186: ok 1265
186: ok 1266
186: ok 1267
186: ok 1268
186: ok 1269
186: ok 1270
186: ok 1271
186: ok 1272
186: ok 1273
186: ok 1274
186: ok 1275
186: ok 1276
186: ok 1277
186: ok 1278
186: ok 1279
186: ok 1280
186: ok 1281
186: ok 1282
186: ok 1283
186: ok 1284
186: ok 1285
186: ok 1286
186: ok 1287
186: ok 1288
186: ok 1289
186: ok 1290
186: ok 1291
186: ok 1292
186: ok 1293
186: ok 1294
186: ok 1295
186: ok 1296
186: ok 1297
186: ok 1298
186: ok 1299
186: ok 1300
186: ok 1301
186: ok 1302
186: ok 1303
186: ok 1304
186: ok 1305
186: ok 1306
186: ok 1307
186: ok 1308
186: ok 1309
186: ok 1310
186: ok 1311
186: ok 1312
186: ok 1313
186: ok 1314
186: ok 1315
186: ok 1316
186: ok 1317
186: ok 1318
186: ok 1319
186: ok 1320
186: ok 1321
186: ok 1322
186: ok 1323
186: ok 1324
186: ok 1325
186: ok 1326
186: ok 1327
186: ok 1328
186: ok 1329
186: ok 1330
186: ok 1331
186: ok 1332
186: ok 1333
186: ok 1334
186: ok 1335
186: ok 1336
186: ok 1337
186: ok 1338
186: ok 1339
186: ok 1340
186: ok 1341
186: ok 1342
186: 1..1342
169/219 Test #186: test_iterators_1 .................   Passed    9.76 sec
test 201
        Start 201: test_smartsparse_1
201: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "smartsparse" "1"
201: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
201: Environment variables: 
201:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
201:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
201: Test timeout computed to be: 6000
187: # Unit tests for OBLogP and OBPSA 
187: 1..7
187: ok 1
187: ok 2 # 1.4008
187: ok 3 # 29.46
187: ok 4 # 2.5815
187: ok 5 # 0
187: ok 6 # 2.0264
187: ok 7 # 29.1
170/219 Test #187: test_logp_psa_1 ..................   Passed    9.62 sec
test 202
        Start 202: test_smilesmatch_1
202: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "smilesmatch" "1"
202: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
202: Environment variables: 
202:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
202:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
202: Test timeout computed to be: 6000
188: # math: repeating each test 1000 times
188: # Testing MMFF94 Force Field...
188: # math: entering testBasics_vector3
188: ok 1
188: ok 2
188: ok 3
188: ok 4
188: ok 5
188: ok 6
188: ok 7
188: ok 8
188: ok 9
188: ok 10
188: ok 11
188: ok 12
188: ok 13
188: ok 14
188: ok 15
188: ok 16
188: ok 17
188: ok 18
188: ok 19
188: ok 20
188: ok 21
188: ok 22
188: ok 23
188: ok 24
188: ok 25
188: ok 26
188: ok 27
188: ok 28
188: ok 29
188: ok 30
188: ok 31
188: ok 32
188: ok 33
188: ok 34
188: ok 35
188: ok 36
188: ok 37
188: ok 38
188: ok 39
188: ok 40
188: ok 41
188: ok 42
188: ok 43
188: ok 44
188: ok 45
188: ok 46
188: ok 47
188: ok 48
188: ok 49
188: ok 50
188: ok 51
188: ok 52
188: ok 53
188: ok 54
188: ok 55
188: ok 56
188: ok 57
188: ok 58
188: ok 59
188: ok 60
188: ok 61
188: ok 62
188: ok 63
188: ok 64
188: ok 65
188: ok 66
188: ok 67
188: ok 68
188: ok 69
188: ok 70
188: ok 71
188: ok 72
188: ok 73
188: ok 74
188: ok 75
188: ok 76
188: ok 77
188: ok 78
188: ok 79
188: ok 80
188: ok 81
188: ok 82
188: ok 83
188: ok 84
188: ok 85
188: ok 86
188: ok 87
188: ok 88
188: ok 89
188: ok 90
188: ok 91
188: ok 92
188: ok 93
188: ok 94
188: ok 95
188: ok 96
188: ok 97
188: ok 98
188: ok 99
188: ok 100
188: ok 101
188: ok 102
188: ok 103
188: ok 104
188: ok 105
188: ok 106
188: ok 107
188: ok 108
188: ok 109
188: ok 110
188: ok 111
188: ok 112
188: ok 113
188: ok 114
188: ok 115
188: ok 116
188: ok 117
188: ok 118
188: ok 119
188: ok 120
188: ok 121
188: ok 122
188: ok 123
188: ok 124
188: ok 125
188: ok 126
188: ok 127
188: ok 128
188: ok 129
188: ok 130
188: ok 131
188: ok 132
188: ok 133
188: ok 134
188: ok 135
188: ok 136
188: ok 137
188: ok 138
188: ok 139
188: ok 140
188: ok 141
188: ok 142
188: ok 143
188: ok 144
188: ok 145
188: ok 146
188: ok 147
188: ok 148
188: ok 149
188: ok 150
188: ok 151
188: ok 152
188: ok 153
188: ok 154
188: ok 155
188: ok 156
188: ok 157
188: ok 158
188: ok 159
188: ok 160
188: ok 161
188: ok 162
188: ok 163
188: ok 164
188: ok 165
188: ok 166
188: ok 167
188: ok 168
188: ok 169
188: ok 170
188: ok 171
188: ok 172
188: ok 173
188: ok 174
188: ok 175
188: ok 176
188: ok 177
188: ok 178
188: ok 179
188: ok 180
188: ok 181
188: ok 182
188: ok 183
188: ok 184
188: ok 185
188: ok 186
188: ok 187
188: ok 188
188: ok 189
188: ok 190
188: ok 191
188: ok 192
188: ok 193
188: ok 194
188: ok 195
188: ok 196
188: ok 197
188: ok 198
188: ok 199
188: ok 200
188: ok 201
188: ok 202
188: ok 203
188: ok 204
188: ok 205
188: ok 206
188: ok 207
188: ok 208
188: ok 209
188: ok 210
188: ok 211
188: ok 212
188: ok 213
188: ok 214
188: ok 215
188: ok 216
188: ok 217
188: ok 218
188: ok 219
188: ok 220
188: ok 221
188: ok 222
188: ok 223
188: ok 224
188: ok 225
188: ok 226
188: ok 227
188: ok 228
188: ok 229
188: ok 230
188: ok 231
188: ok 232
188: ok 233
188: ok 234
188: ok 235
188: ok 236
188: ok 237
188: ok 238
188: ok 239
188: ok 240
188: ok 241
188: ok 242
188: ok 243
188: ok 244
188: ok 245
188: ok 246
188: ok 247
188: ok 248
188: ok 249
188: ok 250
188: ok 251
188: ok 252
188: ok 253
188: ok 254
188: ok 255
188: ok 256
188: ok 257
188: ok 258
188: ok 259
188: ok 260
188: ok 261
188: ok 262
188: ok 263
188: ok 264
188: ok 265
188: ok 266
188: ok 267
188: ok 268
188: ok 269
188: ok 270
188: ok 271
188: ok 272
188: ok 273
188: ok 274
188: ok 275
188: ok 276
188: ok 277
188: ok 278
188: ok 279
188: ok 280
188: ok 281
188: ok 282
188: ok 283
188: ok 284
188: ok 285
188: ok 286
188: ok 287
188: ok 288
188: ok 289
188: ok 290
188: ok 291
188: ok 292
188: ok 293
188: ok 294
188: ok 295
188: ok 296
188: ok 297
188: ok 298
188: ok 299
188: ok 300
188: ok 301
188: ok 302
188: ok 303
188: ok 304
188: ok 305
188: ok 306
188: ok 307
188: ok 308
188: ok 309
188: ok 310
188: ok 311
188: ok 312
188: ok 313
188: ok 314
188: ok 315
188: ok 316
188: ok 317
188: ok 318
188: ok 319
188: ok 320
188: ok 321
188: ok 322
188: ok 323
188: ok 324
188: ok 325
188: ok 326
188: ok 327
188: ok 328
188: ok 329
188: ok 330
188: ok 331
188: ok 332
188: ok 333
188: ok 334
188: ok 335
188: ok 336
188: ok 337
188: ok 338
188: ok 339
188: ok 340
188: ok 341
188: ok 342
188: ok 343
188: ok 344
188: ok 345
188: ok 346
188: ok 347
188: ok 348
188: ok 349
188: ok 350
188: ok 351
188: ok 352
188: ok 353
188: ok 354
188: ok 355
188: ok 356
188: ok 357
188: ok 358
188: ok 359
188: ok 360
188: ok 361
188: ok 362
188: ok 363
188: ok 364
188: ok 365
188: ok 366
188: ok 367
188: ok 368
188: ok 369
188: ok 370
188: ok 371
188: ok 372
188: ok 373
188: ok 374
188: ok 375
188: ok 376
188: ok 377
188: ok 378
188: ok 379
188: ok 380
188: ok 381
188: ok 382
188: ok 383
188: ok 384
188: ok 385
188: ok 386
188: ok 387
188: ok 388
188: ok 389
188: ok 390
188: ok 391
188: ok 392
188: ok 393
188: ok 394
188: ok 395
188: ok 396
188: ok 397
188: ok 398
188: ok 399
188: ok 400
188: ok 401
188: ok 402
188: ok 403
188: ok 404
188: ok 405
188: ok 406
188: ok 407
188: ok 408
188: ok 409
188: ok 410
188: ok 411
188: ok 412
188: ok 413
188: ok 414
188: ok 415
188: ok 416
188: ok 417
188: ok 418
188: ok 419
188: ok 420
188: ok 421
188: ok 422
188: ok 423
188: ok 424
188: ok 425
188: ok 426
188: ok 427
188: ok 428
188: ok 429
188: ok 430
188: ok 431
188: ok 432
188: ok 433
188: ok 434
188: ok 435
188: ok 436
188: ok 437
188: ok 438
188: ok 439
188: ok 440
188: ok 441
188: ok 442
188: ok 443
188: ok 444
188: ok 445
188: ok 446
188: ok 447
188: ok 448
188: ok 449
188: ok 450
188: ok 451
188: ok 452
188: ok 453
188: ok 454
188: ok 455
188: ok 456
188: ok 457
188: ok 458
188: ok 459
188: ok 460
188: ok 461
188: ok 462
188: ok 463
188: ok 464
188: ok 465
188: ok 466
188: ok 467
188: ok 468
188: ok 469
188: ok 470
188: ok 471
188: ok 472
188: ok 473
188: ok 474
188: ok 475
188: ok 476
188: ok 477
188: ok 478
188: ok 479
188: ok 480
188: ok 481
188: ok 482
188: ok 483
188: ok 484
188: ok 485
188: ok 486
188: ok 487
188: ok 488
188: ok 489
188: ok 490
188: ok 491
188: ok 492
188: ok 493
188: ok 494
188: ok 495
188: ok 496
188: ok 497
188: ok 498
188: ok 499
188: ok 500
188: ok 501
188: ok 502
188: ok 503
188: ok 504
188: ok 505
188: ok 506
188: ok 507
188: ok 508
188: ok 509
188: ok 510
188: ok 511
188: ok 512
188: ok 513
188: ok 514
188: ok 515
188: ok 516
188: ok 517
188: ok 518
188: ok 519
188: ok 520
188: ok 521
188: ok 522
188: ok 523
188: ok 524
188: ok 525
188: ok 526
188: ok 527
188: ok 528
188: ok 529
188: ok 530
188: ok 531
188: ok 532
188: ok 533
188: ok 534
188: ok 535
188: ok 536
188: ok 537
188: ok 538
188: ok 539
188: ok 540
188: ok 541
188: ok 542
188: ok 543
188: ok 544
188: ok 545
188: ok 546
188: ok 547
188: ok 548
188: ok 549
188: ok 550
188: ok 551
188: ok 552
188: ok 553
188: ok 554
188: ok 555
188: ok 556
188: ok 557
188: ok 558
188: ok 559
188: ok 560
188: ok 561
188: ok 562
188: ok 563
188: ok 564
188: ok 565
188: ok 566
188: ok 567
188: ok 568
188: ok 569
188: ok 570
188: ok 571
188: ok 572
188: ok 573
188: ok 574
188: ok 575
188: ok 576
188: ok 577
188: ok 578
188: ok 579
188: ok 580
188: ok 581
188: ok 582
188: ok 583
188: ok 584
188: ok 585
188: ok 586
188: ok 587
188: ok 588
188: ok 589
188: ok 590
188: ok 591
188: ok 592
188: ok 593
188: ok 594
188: ok 595
188: ok 596
188: ok 597
188: ok 598
188: ok 599
188: ok 600
188: ok 601
188: ok 602
188: ok 603
188: ok 604
188: ok 605
188: ok 606
188: ok 607
188: ok 608
188: ok 609
188: ok 610
188: ok 611
188: ok 612
188: ok 613
188: ok 614
188: ok 615
188: ok 616
188: ok 617
188: ok 618
188: ok 619
188: ok 620
188: ok 621
188: ok 622
188: ok 623
188: ok 624
188: ok 625
188: ok 626
188: ok 627
188: ok 628
188: ok 629
188: ok 630
188: ok 631
188: ok 632
188: ok 633
188: ok 634
188: ok 635
188: ok 636
188: ok 637
188: ok 638
188: ok 639
188: ok 640
188: ok 641
188: ok 642
188: ok 643
188: ok 644
188: ok 645
188: ok 646
188: ok 647
188: ok 648
188: ok 649
188: ok 650
188: ok 651
188: ok 652
188: ok 653
188: ok 654
188: ok 655
188: ok 656
188: ok 657
188: ok 658
188: ok 659
188: ok 660
188: ok 661
188: ok 662
188: ok 663
188: ok 664
188: ok 665
188: ok 666
188: ok 667
188: ok 668
188: ok 669
188: ok 670
188: ok 671
188: ok 672
188: ok 673
188: ok 674
188: ok 675
188: ok 676
188: ok 677
188: ok 678
188: ok 679
188: ok 680
188: ok 681
188: ok 682
188: ok 683
188: ok 684
188: ok 685
188: ok 686
188: ok 687
188: ok 688
188: ok 689
188: ok 690
188: ok 691
188: ok 692
188: ok 693
188: ok 694
188: ok 695
188: ok 696
188: ok 697
188: ok 698
188: ok 699
188: ok 700
188: ok 701
188: ok 702
188: ok 703
188: ok 704
188: ok 705
188: ok 706
188: ok 707
188: ok 708
188: ok 709
188: ok 710
188: ok 711
188: ok 712
188: ok 713
188: ok 714
188: ok 715
188: ok 716
188: ok 717
188: ok 718
188: ok 719
188: ok 720
188: ok 721
188: ok 722
188: ok 723
188: ok 724
188: ok 725
188: ok 726
188: ok 727
188: ok 728
188: ok 729
188: ok 730
188: ok 731
188: ok 732
188: ok 733
188: ok 734
188: ok 735
188: ok 736
188: ok 737
188: ok 738
188: ok 739
188: ok 740
188: ok 741
188: ok 742
188: ok 743
188: ok 744
188: ok 745
188: ok 746
188: ok 747
188: ok 748
188: ok 749
188: ok 750
188: ok 751
188: ok 752
188: ok 753
188: ok 754
188: ok 755
188: ok 756
188: ok 757
188: ok 758
188: ok 759
188: ok 760
188: ok 761
188: ok 762
188: ok 763
188: ok 764
188: ok 765
188: ok 766
188: ok 767
188: ok 768
188: ok 769
188: ok 770
188: ok 771
188: ok 772
188: ok 773
188: ok 774
188: ok 775
188: ok 776
188: ok 777
188: ok 778
188: ok 779
188: ok 780
188: ok 781
188: ok 782
188: ok 783
188: ok 784
188: ok 785
188: ok 786
188: ok 787
188: ok 788
188: ok 789
188: ok 790
188: ok 791
188: ok 792
188: ok 793
188: ok 794
188: ok 795
188: ok 796
188: ok 797
188: ok 798
188: ok 799
188: ok 800
188: ok 801
188: ok 802
188: ok 803
188: ok 804
188: ok 805
188: ok 806
188: ok 807
188: ok 808
188: ok 809
188: ok 810
188: ok 811
188: ok 812
188: ok 813
188: ok 814
188: ok 815
188: ok 816
188: ok 817
188: ok 818
188: ok 819
188: ok 820
188: ok 821
188: ok 822
188: ok 823
188: ok 824
188: ok 825
188: ok 826
188: ok 827
188: ok 828
188: ok 829
188: ok 830
188: ok 831
188: ok 832
188: ok 833
188: ok 834
188: ok 835
188: ok 836
188: ok 837
188: ok 838
188: ok 839
188: ok 840
188: ok 841
188: ok 842
188: ok 843
188: ok 844
188: ok 845
188: ok 846
188: ok 847
188: ok 848
188: ok 849
188: ok 850
188: ok 851
188: ok 852
188: ok 853
188: ok 854
188: ok 855
188: ok 856
188: ok 857
188: ok 858
188: ok 859
188: ok 860
188: ok 861
188: ok 862
188: ok 863
188: ok 864
188: ok 865
188: ok 866
188: ok 867
188: ok 868
188: ok 869
188: ok 870
188: ok 871
188: ok 872
188: ok 873
188: ok 874
188: ok 875
188: ok 876
188: ok 877
188: ok 878
188: ok 879
188: ok 880
188: ok 881
188: ok 882
188: ok 883
188: ok 884
188: ok 885
188: ok 886
188: ok 887
188: ok 888
188: ok 889
188: ok 890
188: ok 891
188: ok 892
188: ok 893
188: ok 894
188: ok 895
188: ok 896
188: ok 897
188: ok 898
188: ok 899
188: ok 900
188: ok 901
188: ok 902
188: ok 903
188: ok 904
188: ok 905
188: ok 906
188: ok 907
188: ok 908
188: ok 909
188: ok 910
188: ok 911
188: ok 912
188: ok 913
188: ok 914
188: ok 915
188: ok 916
188: ok 917
188: ok 918
188: ok 919
188: ok 920
188: ok 921
188: ok 922
188: ok 923
188: ok 924
188: ok 925
188: ok 926
188: ok 927
188: ok 928
188: ok 929
188: ok 930
188: ok 931
188: ok 932
188: ok 933
188: ok 934
188: ok 935
188: ok 936
188: ok 937
188: ok 938
188: ok 939
188: ok 940
188: ok 941
188: ok 942
188: ok 943
188: ok 944
188: ok 945
188: ok 946
188: ok 947
188: ok 948
188: ok 949
188: ok 950
188: ok 951
188: ok 952
188: ok 953
188: ok 954
188: ok 955
188: ok 956
188: ok 957
188: ok 958
188: ok 959
188: ok 960
188: ok 961
188: ok 962
188: ok 963
188: ok 964
188: ok 965
188: ok 966
188: ok 967
188: ok 968
188: ok 969
188: ok 970
188: ok 971
188: ok 972
188: ok 973
188: ok 974
188: ok 975
188: ok 976
188: ok 977
188: ok 978
188: ok 979
188: ok 980
188: ok 981
188: ok 982
188: ok 983
188: ok 984
188: ok 985
188: ok 986
188: ok 987
188: ok 988
188: ok 989
188: ok 990
188: ok 991
188: ok 992
188: ok 993
188: ok 994
188: ok 995
188: ok 996
188: ok 997
188: ok 998
188: ok 999
188: ok 1000
188: ok 1001
188: ok 1002
188: ok 1003
188: ok 1004
188: ok 1005
188: ok 1006
188: ok 1007
188: ok 1008
188: ok 1009
188: ok 1010
188: ok 1011
188: ok 1012
188: ok 1013
188: ok 1014
188: ok 1015
188: ok 1016
188: ok 1017
188: ok 1018
188: ok 1019
188: ok 1020
188: ok 1021
188: ok 1022
188: ok 1023
188: ok 1024
188: ok 1025
188: ok 1026
188: ok 1027
188: ok 1028
188: ok 1029
188: ok 1030
188: ok 1031
188: ok 1032
188: ok 1033
188: ok 1034
188: ok 1035
188: ok 1036
188: ok 1037
188: ok 1038
188: ok 1039
188: ok 1040
188: ok 1041
188: ok 1042
188: ok 1043
188: ok 1044
188: ok 1045
188: ok 1046
188: ok 1047
188: ok 1048
188: ok 1049
188: ok 1050
188: ok 1051
188: ok 1052
188: ok 1053
188: ok 1054
188: ok 1055
188: ok 1056
188: ok 1057
188: ok 1058
188: ok 1059
188: ok 1060
188: ok 1061
188: ok 1062
188: ok 1063
188: ok 1064
188: ok 1065
188: ok 1066
188: ok 1067
188: ok 1068
188: ok 1069
188: ok 1070
188: ok 1071
188: ok 1072
188: ok 1073
188: ok 1074
188: ok 1075
188: ok 1076
188: ok 1077
188: ok 1078
188: ok 1079
188: ok 1080
188: ok 1081
188: ok 1082
188: ok 1083
188: ok 1084
188: ok 1085
188: ok 1086
188: ok 1087
188: ok 1088
188: ok 1089
188: ok 1090
188: ok 1091
188: ok 1092
188: ok 1093
188: ok 1094
188: ok 1095
188: ok 1096
188: ok 1097
188: ok 1098
188: ok 1099
188: ok 1100
188: ok 1101
188: ok 1102
188: ok 1103
188: ok 1104
188: ok 1105
188: ok 1106
188: ok 1107
188: ok 1108
188: ok 1109
188: ok 1110
188: ok 1111
188: ok 1112
188: ok 1113
188: ok 1114
188: ok 1115
188: ok 1116
188: ok 1117
188: ok 1118
188: ok 1119
188: ok 1120
188: ok 1121
188: ok 1122
188: ok 1123
188: ok 1124
188: ok 1125
188: ok 1126
188: ok 1127
188: ok 1128
188: ok 1129
188: ok 1130
188: ok 1131
188: ok 1132
188: ok 1133
188: ok 1134
188: ok 1135
188: ok 1136
188: ok 1137
188: ok 1138
188: ok 1139
188: ok 1140
188: ok 1141
188: ok 1142
188: ok 1143
188: ok 1144
188: ok 1145
188: ok 1146
188: ok 1147
188: ok 1148
188: ok 1149
188: ok 1150
188: ok 1151
188: ok 1152
188: ok 1153
188: ok 1154
188: ok 1155
188: ok 1156
188: ok 1157
188: ok 1158
188: ok 1159
188: ok 1160
188: ok 1161
188: ok 1162
188: ok 1163
188: ok 1164
188: ok 1165
188: ok 1166
188: ok 1167
188: ok 1168
188: ok 1169
188: ok 1170
188: ok 1171
188: ok 1172
188: ok 1173
188: ok 1174
188: ok 1175
188: ok 1176
188: ok 1177
188: ok 1178
188: ok 1179
188: ok 1180
188: ok 1181
188: ok 1182
188: ok 1183
188: ok 1184
188: ok 1185
188: ok 1186
188: ok 1187
188: ok 1188
188: ok 1189
188: ok 1190
188: ok 1191
188: ok 1192
188: ok 1193
188: ok 1194
188: ok 1195
188: ok 1196
188: ok 1197
188: ok 1198
188: ok 1199
188: ok 1200
188: ok 1201
188: ok 1202
188: ok 1203
188: ok 1204
188: ok 1205
188: ok 1206
188: ok 1207
188: ok 1208
188: ok 1209
188: ok 1210
188: ok 1211
188: ok 1212
188: ok 1213
188: ok 1214
188: ok 1215
188: ok 1216
188: ok 1217
188: ok 1218
188: ok 1219
188: ok 1220
188: ok 1221
188: ok 1222
188: ok 1223
188: ok 1224
188: ok 1225
188: ok 1226
188: ok 1227
188: ok 1228
188: ok 1229
188: ok 1230
188: ok 1231
188: ok 1232
188: ok 1233
188: ok 1234
188: ok 1235
188: ok 1236
188: ok 1237
188: ok 1238
188: ok 1239
188: ok 1240
188: ok 1241
188: ok 1242
188: ok 1243
188: ok 1244
188: ok 1245
188: ok 1246
188: ok 1247
188: ok 1248
188: ok 1249
188: ok 1250
188: ok 1251
188: ok 1252
188: ok 1253
188: ok 1254
188: ok 1255
188: ok 1256
188: ok 1257
188: ok 1258
188: ok 1259
188: ok 1260
188: ok 1261
188: ok 1262
188: ok 1263
188: ok 1264
188: ok 1265
188: ok 1266
188: ok 1267
188: ok 1268
188: ok 1269
188: ok 1270
188: ok 1271
188: ok 1272
188: ok 1273
188: ok 1274
188: ok 1275
188: ok 1276
188: ok 1277
188: ok 1278
188: ok 1279
188: ok 1280
188: ok 1281
188: ok 1282
188: ok 1283
188: ok 1284
188: ok 1285
188: ok 1286
188: ok 1287
188: ok 1288
188: ok 1289
188: ok 1290
188: ok 1291
188: ok 1292
188: ok 1293
188: ok 1294
188: ok 1295
188: ok 1296
188: ok 1297
188: ok 1298
188: ok 1299
188: ok 1300
188: ok 1301
188: ok 1302
188: ok 1303
188: ok 1304
188: ok 1305
188: ok 1306
188: ok 1307
188: ok 1308
188: ok 1309
188: ok 1310
188: ok 1311
188: ok 1312
188: ok 1313
188: ok 1314
188: ok 1315
188: ok 1316
188: ok 1317
188: ok 1318
188: ok 1319
188: ok 1320
188: ok 1321
188: ok 1322
188: ok 1323
188: ok 1324
188: ok 1325
188: ok 1326
188: ok 1327
188: ok 1328
188: ok 1329
188: ok 1330
188: ok 1331
188: ok 1332
188: ok 1333
188: ok 1334
188: ok 1335
188: ok 1336
188: ok 1337
188: ok 1338
188: ok 1339
188: ok 1340
188: ok 1341
188: ok 1342
188: ok 1343
188: ok 1344
188: ok 1345
188: ok 1346
188: ok 1347
188: ok 1348
188: ok 1349
188: ok 1350
188: ok 1351
188: ok 1352
188: ok 1353
188: ok 1354
188: ok 1355
188: ok 1356
188: ok 1357
188: ok 1358
188: ok 1359
188: ok 1360
188: ok 1361
188: ok 1362
188: ok 1363
188: ok 1364
188: ok 1365
188: ok 1366
188: ok 1367
188: ok 1368
188: ok 1369
188: ok 1370
188: ok 1371
188: ok 1372
188: ok 1373
188: ok 1374
188: ok 1375
188: ok 1376
188: ok 1377
188: ok 1378
188: ok 1379
188: ok 1380
188: ok 1381
188: ok 1382
188: ok 1383
188: ok 1384
188: ok 1385
188: ok 1386
188: ok 1387
188: ok 1388
188: ok 1389
188: ok 1390
188: ok 1391
188: ok 1392
188: ok 1393
188: ok 1394
188: ok 1395
188: ok 1396
188: ok 1397
188: ok 1398
188: ok 1399
188: ok 1400
188: ok 1401
188: ok 1402
188: ok 1403
188: ok 1404
188: ok 1405
188: ok 1406
188: ok 1407
188: ok 1408
188: ok 1409
188: ok 1410
188: ok 1411
188: ok 1412
188: ok 1413
188: ok 1414
188: ok 1415
188: ok 1416
188: ok 1417
188: ok 1418
188: ok 1419
188: ok 1420
188: ok 1421
188: ok 1422
188: ok 1423
188: ok 1424
188: ok 1425
188: ok 1426
188: ok 1427
188: ok 1428
188: ok 1429
188: ok 1430
188: ok 1431
188: ok 1432
188: ok 1433
188: ok 1434
188: ok 1435
188: ok 1436
188: ok 1437
188: ok 1438
188: ok 1439
188: ok 1440
188: ok 1441
188: ok 1442
188: ok 1443
188: ok 1444
188: ok 1445
188: ok 1446
188: ok 1447
188: ok 1448
188: ok 1449
188: ok 1450
188: ok 1451
188: ok 1452
188: ok 1453
188: ok 1454
188: ok 1455
188: ok 1456
188: ok 1457
188: ok 1458
188: ok 1459
188: ok 1460
188: ok 1461
188: ok 1462
188: ok 1463
188: ok 1464
188: ok 1465
188: ok 1466
188: ok 1467
188: ok 1468
188: ok 1469
188: ok 1470
188: ok 1471
188: ok 1472
188: ok 1473
188: ok 1474
188: ok 1475
188: ok 1476
188: ok 1477
188: ok 1478
188: ok 1479
188: ok 1480
188: ok 1481
188: ok 1482
188: ok 1483
188: ok 1484
188: ok 1485
188: ok 1486
188: ok 1487
188: ok 1488
188: ok 1489
188: ok 1490
188: ok 1491
188: ok 1492
188: ok 1493
188: ok 1494
188: ok 1495
188: ok 1496
188: ok 1497
188: ok 1498
188: ok 1499
188: ok 1500
188: ok 1501
188: ok 1502
188: ok 1503
188: ok 1504
188: ok 1505
188: ok 1506
188: ok 1507
188: ok 1508
188: ok 1509
188: ok 1510
188: ok 1511
188: ok 1512
188: ok 1513
188: ok 1514
188: ok 1515
188: ok 1516
188: ok 1517
188: ok 1518
188: ok 1519
188: ok 1520
188: ok 1521
188: ok 1522
188: ok 1523
188: ok 1524
188: ok 1525
188: ok 1526
188: ok 1527
188: ok 1528
188: ok 1529
188: ok 1530
188: ok 1531
188: ok 1532
188: ok 1533
188: ok 1534
188: ok 1535
188: ok 1536
188: ok 1537
188: ok 1538
188: ok 1539
188: ok 1540
188: ok 1541
188: ok 1542
188: ok 1543
188: ok 1544
188: ok 1545
188: ok 1546
188: ok 1547
188: ok 1548
188: ok 1549
188: ok 1550
188: ok 1551
188: ok 1552
188: ok 1553
188: ok 1554
188: ok 1555
188: ok 1556
188: ok 1557
188: ok 1558
188: ok 1559
188: ok 1560
188: ok 1561
188: ok 1562
188: ok 1563
188: ok 1564
188: ok 1565
188: ok 1566
188: ok 1567
188: ok 1568
188: ok 1569
188: ok 1570
188: ok 1571
188: ok 1572
188: ok 1573
188: ok 1574
188: ok 1575
188: ok 1576
188: ok 1577
188: ok 1578
188: ok 1579
188: ok 1580
188: ok 1581
188: ok 1582
188: ok 1583
188: ok 1584
188: ok 1585
188: ok 1586
188: ok 1587
188: ok 1588
188: ok 1589
188: ok 1590
188: ok 1591
188: ok 1592
188: ok 1593
188: ok 1594
188: ok 1595
188: ok 1596
188: ok 1597
188: ok 1598
188: ok 1599
188: ok 1600
188: ok 1601
188: ok 1602
188: ok 1603
188: ok 1604
188: ok 1605
188: ok 1606
188: ok 1607
188: ok 1608
188: ok 1609
188: ok 1610
188: ok 1611
188: ok 1612
188: ok 1613
188: ok 1614
188: ok 1615
188: ok 1616
188: ok 1617
188: ok 1618
188: ok 1619
188: ok 1620
188: ok 1621
188: ok 1622
188: ok 1623
188: ok 1624
188: ok 1625
188: ok 1626
188: ok 1627
188: ok 1628
188: ok 1629
188: ok 1630
188: ok 1631
188: ok 1632
188: ok 1633
188: ok 1634
188: ok 1635
188: ok 1636
188: ok 1637
188: ok 1638
188: ok 1639
188: ok 1640
188: ok 1641
188: ok 1642
188: ok 1643
188: ok 1644
188: ok 1645
188: ok 1646
188: ok 1647
188: ok 1648
188: ok 1649
188: ok 1650
188: ok 1651
188: ok 1652
188: ok 1653
188: ok 1654
188: ok 1655
188: ok 1656
188: ok 1657
188: ok 1658
188: ok 1659
188: ok 1660
188: ok 1661
188: ok 1662
188: ok 1663
188: ok 1664
188: ok 1665
188: ok 1666
188: ok 1667
188: ok 1668
188: ok 1669
188: ok 1670
188: ok 1671
188: ok 1672
188: ok 1673
188: ok 1674
188: ok 1675
188: ok 1676
188: ok 1677
188: ok 1678
188: ok 1679
188: ok 1680
188: ok 1681
188: ok 1682
188: ok 1683
188: ok 1684
188: ok 1685
188: ok 1686
188: ok 1687
188: ok 1688
188: ok 1689
188: ok 1690
188: ok 1691
188: ok 1692
188: ok 1693
188: ok 1694
188: ok 1695
188: ok 1696
188: ok 1697
188: ok 1698
188: ok 1699
188: ok 1700
188: ok 1701
188: ok 1702
188: ok 1703
188: ok 1704
188: ok 1705
188: ok 1706
188: ok 1707
188: ok 1708
188: ok 1709
188: ok 1710
188: ok 1711
188: ok 1712
188: ok 1713
188: ok 1714
188: ok 1715
188: ok 1716
188: ok 1717
188: ok 1718
188: ok 1719
188: ok 1720
188: ok 1721
188: ok 1722
188: ok 1723
188: ok 1724
188: ok 1725
188: ok 1726
188: ok 1727
188: ok 1728
188: ok 1729
188: ok 1730
188: ok 1731
188: ok 1732
188: ok 1733
188: ok 1734
188: ok 1735
188: ok 1736
188: ok 1737
188: ok 1738
188: ok 1739
188: ok 1740
188: ok 1741
188: ok 1742
188: ok 1743
188: ok 1744
188: ok 1745
188: ok 1746
188: ok 1747
188: ok 1748
188: ok 1749
188: ok 1750
188: ok 1751
188: ok 1752
188: ok 1753
188: ok 1754
188: ok 1755
188: ok 1756
188: ok 1757
188: ok 1758
188: ok 1759
188: ok 1760
188: ok 1761
188: ok 1762
188: ok 1763
188: ok 1764
188: ok 1765
188: ok 1766
188: ok 1767
188: ok 1768
188: ok 1769
188: ok 1770
188: ok 1771
188: ok 1772
188: ok 1773
188: ok 1774
188: ok 1775
188: ok 1776
188: ok 1777
188: ok 1778
188: ok 1779
188: ok 1780
188: ok 1781
188: ok 1782
188: ok 1783
188: ok 1784
188: ok 1785
188: ok 1786
188: ok 1787
188: ok 1788
188: ok 1789
188: ok 1790
188: ok 1791
188: ok 1792
188: ok 1793
188: ok 1794
188: ok 1795
188: ok 1796
188: ok 1797
188: ok 1798
188: ok 1799
188: ok 1800
188: ok 1801
188: ok 1802
188: ok 1803
188: ok 1804
188: ok 1805
188: ok 1806
188: ok 1807
188: ok 1808
188: ok 1809
188: ok 1810
188: ok 1811
188: ok 1812
188: ok 1813
188: ok 1814
188: ok 1815
188: ok 1816
188: ok 1817
188: ok 1818
188: ok 1819
188: ok 1820
188: ok 1821
188: ok 1822
188: ok 1823
188: ok 1824
188: ok 1825
188: ok 1826
188: ok 1827
188: ok 1828
188: ok 1829
188: ok 1830
188: ok 1831
188: ok 1832
188: ok 1833
188: ok 1834
188: ok 1835
188: ok 1836
188: ok 1837
188: ok 1838
188: ok 1839
188: ok 1840
188: ok 1841
188: ok 1842
188: ok 1843
188: ok 1844
188: ok 1845
188: ok 1846
188: ok 1847
188: ok 1848
188: ok 1849
188: ok 1850
188: ok 1851
188: ok 1852
188: ok 1853
188: ok 1854
188: ok 1855
188: ok 1856
188: ok 1857
188: ok 1858
188: ok 1859
188: ok 1860
188: ok 1861
188: ok 1862
188: ok 1863
188: ok 1864
188: ok 1865
188: ok 1866
188: ok 1867
188: ok 1868
188: ok 1869
188: ok 1870
188: ok 1871
188: ok 1872
188: ok 1873
188: ok 1874
188: ok 1875
188: ok 1876
188: ok 1877
188: ok 1878
188: ok 1879
188: ok 1880
188: ok 1881
188: ok 1882
188: ok 1883
188: ok 1884
188: ok 1885
188: ok 1886
188: ok 1887
188: ok 1888
188: ok 1889
188: ok 1890
188: ok 1891
188: ok 1892
188: ok 1893
188: ok 1894
188: ok 1895
188: ok 1896
188: ok 1897
188: ok 1898
188: ok 1899
188: ok 1900
188: ok 1901
188: ok 1902
188: ok 1903
188: ok 1904
188: ok 1905
188: ok 1906
188: ok 1907
188: ok 1908
188: ok 1909
188: ok 1910
188: ok 1911
188: ok 1912
188: ok 1913
188: ok 1914
188: ok 1915
188: ok 1916
188: ok 1917
188: ok 1918
188: ok 1919
188: ok 1920
188: ok 1921
188: ok 1922
188: ok 1923
188: ok 1924
188: ok 1925
188: ok 1926
188: ok 1927
188: ok 1928
188: ok 1929
188: ok 1930
188: ok 1931
188: ok 1932
188: ok 1933
188: ok 1934
188: ok 1935
188: ok 1936
188: ok 1937
188: ok 1938
188: ok 1939
188: ok 1940
188: ok 1941
188: ok 1942
188: ok 1943
188: ok 1944
188: ok 1945
188: ok 1946
188: ok 1947
188: ok 1948
188: ok 1949
188: ok 1950
188: ok 1951
188: ok 1952
188: ok 1953
188: ok 1954
188: ok 1955
188: ok 1956
188: ok 1957
188: ok 1958
188: ok 1959
188: ok 1960
188: ok 1961
188: ok 1962
188: ok 1963
188: ok 1964
188: ok 1965
188: ok 1966
188: ok 1967
188: ok 1968
188: ok 1969
188: ok 1970
188: ok 1971
188: ok 1972
188: ok 1973
188: ok 1974
188: ok 1975
188: ok 1976
188: ok 1977
188: ok 1978
188: ok 1979
188: ok 1980
188: ok 1981
188: ok 1982
188: ok 1983
188: ok 1984
188: ok 1985
188: ok 1986
188: ok 1987
188: ok 1988
188: ok 1989
188: ok 1990
188: ok 1991
188: ok 1992
188: ok 1993
188: ok 1994
188: ok 1995
188: ok 1996
188: ok 1997
188: ok 1998
188: ok 1999
188: ok 2000
188: ok 2001
188: ok 2002
188: ok 2003
188: ok 2004
188: ok 2005
188: ok 2006
188: ok 2007
188: ok 2008
188: ok 2009
188: ok 2010
188: ok 2011
188: ok 2012
188: ok 2013
188: ok 2014
188: ok 2015
188: ok 2016
188: ok 2017
188: ok 2018
188: ok 2019
188: ok 2020
188: ok 2021
188: ok 2022
188: ok 2023
188: ok 2024
188: ok 2025
188: ok 2026
188: ok 2027
188: ok 2028
188: ok 2029
188: ok 2030
188: ok 2031
188: ok 2032
188: ok 2033
188: ok 2034
188: ok 2035
188: ok 2036
188: ok 2037
188: ok 2038
188: ok 2039
188: ok 2040
188: ok 2041
188: ok 2042
188: ok 2043
188: ok 2044
188: ok 2045
188: ok 2046
188: ok 2047
188: ok 2048
188: ok 2049
188: ok 2050
188: ok 2051
188: ok 2052
188: ok 2053
188: ok 2054
188: ok 2055
188: ok 2056
188: ok 2057
188: ok 2058
188: ok 2059
188: ok 2060
188: ok 2061
188: ok 2062
188: ok 2063
188: ok 2064
188: ok 2065
188: ok 2066
188: ok 2067
188: ok 2068
188: ok 2069
188: ok 2070
188: ok 2071
188: ok 2072
188: ok 2073
188: ok 2074
188: ok 2075
188: ok 2076
188: ok 2077
188: ok 2078
188: ok 2079
188: ok 2080
188: ok 2081
188: ok 2082
188: ok 2083
188: ok 2084
188: ok 2085
188: ok 2086
188: ok 2087
188: ok 2088
188: ok 2089
188: ok 2090
188: ok 2091
188: ok 2092
188: ok 2093
188: ok 2094
188: ok 2095
188: ok 2096
188: ok 2097
188: ok 2098
188: ok 2099
188: ok 2100
188: ok 2101
188: ok 2102
188: ok 2103
188: ok 2104
188: ok 2105
188: ok 2106
188: ok 2107
188: ok 2108
188: ok 2109
188: ok 2110
188: ok 2111
188: ok 2112
188: ok 2113
188: ok 2114
188: ok 2115
188: ok 2116
188: ok 2117
188: ok 2118
188: ok 2119
188: ok 2120
188: ok 2121
188: ok 2122
188: ok 2123
188: ok 2124
188: ok 2125
188: ok 2126
188: ok 2127
188: ok 2128
188: ok 2129
188: ok 2130
188: ok 2131
188: ok 2132
188: ok 2133
188: ok 2134
188: ok 2135
188: ok 2136
188: ok 2137
188: ok 2138
188: ok 2139
188: ok 2140
188: ok 2141
188: ok 2142
188: ok 2143
188: ok 2144
188: ok 2145
188: ok 2146
188: ok 2147
188: ok 2148
188: ok 2149
188: ok 2150
188: ok 2151
188: ok 2152
188: ok 2153
188: ok 2154
188: ok 2155
188: ok 2156
188: ok 2157
188: ok 2158
188: ok 2159
188: ok 2160
188: ok 2161
188: ok 2162
188: ok 2163
188: ok 2164
188: ok 2165
188: ok 2166
188: ok 2167
188: ok 2168
188: ok 2169
188: ok 2170
188: ok 2171
188: ok 2172
188: ok 2173
188: ok 2174
188: ok 2175
188: ok 2176
188: ok 2177
188: ok 2178
188: ok 2179
188: ok 2180
188: ok 2181
188: ok 2182
188: ok 2183
188: ok 2184
188: ok 2185
188: ok 2186
188: ok 2187
188: ok 2188
188: ok 2189
188: ok 2190
188: ok 2191
188: ok 2192
188: ok 2193
188: ok 2194
188: ok 2195
188: ok 2196
188: ok 2197
188: ok 2198
188: ok 2199
188: ok 2200
188: ok 2201
188: ok 2202
188: ok 2203
188: ok 2204
188: ok 2205
188: ok 2206
188: ok 2207
188: ok 2208
188: ok 2209
188: ok 2210
188: ok 2211
188: ok 2212
188: ok 2213
188: ok 2214
188: ok 2215
188: ok 2216
188: ok 2217
188: ok 2218
188: ok 2219
188: ok 2220
188: ok 2221
188: ok 2222
188: ok 2223
188: ok 2224
188: ok 2225
188: ok 2226
188: ok 2227
188: ok 2228
188: ok 2229
188: ok 2230
188: ok 2231
188: ok 2232
188: ok 2233
188: ok 2234
188: ok 2235
188: ok 2236
188: ok 2237
188: ok 2238
188: ok 2239
188: ok 2240
188: ok 2241
188: ok 2242
188: ok 2243
188: ok 2244
188: ok 2245
188: ok 2246
188: ok 2247
188: ok 2248
188: ok 2249
188: ok 2250
188: ok 2251
188: ok 2252
188: ok 2253
188: ok 2254
188: ok 2255
188: ok 2256
188: ok 2257
188: ok 2258
188: ok 2259
188: ok 2260
188: ok 2261
188: ok 2262
188: ok 2263
188: ok 2264
188: ok 2265
188: ok 2266
188: ok 2267
188: ok 2268
188: ok 2269
188: ok 2270
188: ok 2271
188: ok 2272
188: ok 2273
188: ok 2274
188: ok 2275
188: ok 2276
188: ok 2277
188: ok 2278
188: ok 2279
188: ok 2280
188: ok 2281
188: ok 2282
188: ok 2283
188: ok 2284
188: ok 2285
188: ok 2286
188: ok 2287
188: ok 2288
188: ok 2289
188: ok 2290
188: ok 2291
188: ok 2292
188: ok 2293
188: ok 2294
188: ok 2295
188: ok 2296
188: ok 2297
188: ok 2298
188: ok 2299
188: ok 2300
188: ok 2301
188: ok 2302
188: ok 2303
188: ok 2304
188: ok 2305
188: ok 2306
188: ok 2307
188: ok 2308
188: ok 2309
188: ok 2310
188: ok 2311
188: ok 2312
188: ok 2313
188: ok 2314
188: ok 2315
188: ok 2316
188: ok 2317
188: ok 2318
188: ok 2319
188: ok 2320
188: ok 2321
188: ok 2322
188: ok 2323
188: ok 2324
188: ok 2325
188: ok 2326
188: ok 2327
188: ok 2328
188: ok 2329
188: ok 2330
188: ok 2331
188: ok 2332
188: ok 2333
188: ok 2334
188: ok 2335
188: ok 2336
188: ok 2337
188: ok 2338
188: ok 2339
188: ok 2340
188: ok 2341
188: ok 2342
188: ok 2343
188: ok 2344
188: ok 2345
188: ok 2346
188: ok 2347
188: ok 2348
188: ok 2349
188: ok 2350
188: ok 2351
188: ok 2352
188: ok 2353
188: ok 2354
188: ok 2355
188: ok 2356
188: ok 2357
188: ok 2358
188: ok 2359
188: ok 2360
188: ok 2361
188: ok 2362
188: ok 2363
188: ok 2364
188: ok 2365
188: ok 2366
188: ok 2367
188: ok 2368
188: ok 2369
188: ok 2370
188: ok 2371
188: ok 2372
188: ok 2373
188: ok 2374
188: ok 2375
188: ok 2376
188: ok 2377
188: ok 2378
188: ok 2379
188: ok 2380
188: ok 2381
188: ok 2382
188: ok 2383
188: ok 2384
188: ok 2385
188: ok 2386
188: ok 2387
188: ok 2388
188: ok 2389
188: ok 2390
188: ok 2391
188: ok 2392
188: ok 2393
188: ok 2394
188: ok 2395
188: ok 2396
188: ok 2397
188: ok 2398
188: ok 2399
188: ok 2400
188: ok 2401
188: ok 2402
188: ok 2403
188: ok 2404
188: ok 2405
188: ok 2406
188: ok 2407
188: ok 2408
188: ok 2409
188: ok 2410
188: ok 2411
188: ok 2412
188: ok 2413
188: ok 2414
188: ok 2415
188: ok 2416
188: ok 2417
188: ok 2418
188: ok 2419
188: ok 2420
188: ok 2421
188: ok 2422
188: ok 2423
188: ok 2424
188: ok 2425
188: ok 2426
188: ok 2427
188: ok 2428
188: ok 2429
188: ok 2430
188: ok 2431
188: ok 2432
188: ok 2433
188: ok 2434
188: ok 2435
188: ok 2436
188: ok 2437
188: ok 2438
188: ok 2439
188: ok 2440
188: ok 2441
188: ok 2442
188: ok 2443
188: ok 2444
188: ok 2445
188: ok 2446
188: ok 2447
188: ok 2448
188: ok 2449
188: ok 2450
188: ok 2451
188: ok 2452
188: ok 2453
188: ok 2454
188: ok 2455
188: ok 2456
188: ok 2457
188: ok 2458
188: ok 2459
188: ok 2460
188: ok 2461
188: ok 2462
188: ok 2463
188: ok 2464
188: ok 2465
188: ok 2466
188: ok 2467
188: ok 2468
188: ok 2469
188: ok 2470
188: ok 2471
188: ok 2472
188: ok 2473
188: ok 2474
188: ok 2475
188: ok 2476
188: ok 2477
188: ok 2478
188: ok 2479
188: ok 2480
188: ok 2481
188: ok 2482
188: ok 2483
188: ok 2484
188: ok 2485
188: ok 2486
188: ok 2487
188: ok 2488
188: ok 2489
188: ok 2490
188: ok 2491
188: ok 2492
188: ok 2493
188: ok 2494
188: ok 2495
188: ok 2496
188: ok 2497
188: ok 2498
188: ok 2499
188: ok 2500
188: ok 2501
188: ok 2502
188: ok 2503
188: ok 2504
188: ok 2505
188: ok 2506
188: ok 2507
188: ok 2508
188: ok 2509
188: ok 2510
188: ok 2511
188: ok 2512
188: ok 2513
188: ok 2514
188: ok 2515
188: ok 2516
188: ok 2517
188: ok 2518
188: ok 2519
188: ok 2520
188: ok 2521
188: ok 2522
188: ok 2523
188: ok 2524
188: ok 2525
188: ok 2526
188: ok 2527
188: ok 2528
188: ok 2529
188: ok 2530
188: ok 2531
188: ok 2532
188: ok 2533
188: ok 2534
188: ok 2535
188: ok 2536
188: ok 2537
188: ok 2538
188: ok 2539
188: ok 2540
188: ok 2541
188: ok 2542
188: ok 2543
188: ok 2544
188: ok 2545
188: ok 2546
188: ok 2547
188: ok 2548
188: ok 2549
188: ok 2550
188: ok 2551
188: ok 2552
188: ok 2553
188: ok 2554
188: ok 2555
188: ok 2556
188: ok 2557
188: ok 2558
188: ok 2559
188: ok 2560
188: ok 2561
188: ok 2562
188: ok 2563
188: ok 2564
188: ok 2565
188: ok 2566
188: ok 2567
188: ok 2568
188: ok 2569
188: ok 2570
188: ok 2571
188: ok 2572
188: ok 2573
188: ok 2574
188: ok 2575
188: ok 2576
188: ok 2577
188: ok 2578
188: ok 2579
188: ok 2580
188: ok 2581
188: ok 2582
188: ok 2583
188: ok 2584
188: ok 2585
188: ok 2586
188: ok 2587
188: ok 2588
188: ok 2589
188: ok 2590
188: ok 2591
188: ok 2592
188: ok 2593
188: ok 2594
188: ok 2595
188: ok 2596
188: ok 2597
188: ok 2598
188: ok 2599
188: ok 2600
188: ok 2601
188: ok 2602
188: ok 2603
188: ok 2604
188: ok 2605
188: ok 2606
188: ok 2607
188: ok 2608
188: ok 2609
188: ok 2610
188: ok 2611
188: ok 2612
188: ok 2613
188: ok 2614
188: ok 2615
188: ok 2616
188: ok 2617
188: ok 2618
188: ok 2619
188: ok 2620
188: ok 2621
188: ok 2622
188: ok 2623
188: ok 2624
188: ok 2625
188: ok 2626
188: ok 2627
188: ok 2628
188: ok 2629
188: ok 2630
188: ok 2631
188: ok 2632
188: ok 2633
188: ok 2634
188: ok 2635
188: ok 2636
188: ok 2637
188: ok 2638
188: ok 2639
188: ok 2640
188: ok 2641
188: ok 2642
188: ok 2643
188: ok 2644
188: ok 2645
188: ok 2646
188: ok 2647
188: ok 2648
188: ok 2649
188: ok 2650
188: ok 2651
188: ok 2652
188: ok 2653
188: ok 2654
188: ok 2655
188: ok 2656
188: ok 2657
188: ok 2658
188: ok 2659
188: ok 2660
188: ok 2661
188: ok 2662
188: ok 2663
188: ok 2664
188: ok 2665
188: ok 2666
188: ok 2667
188: ok 2668
188: ok 2669
188: ok 2670
188: ok 2671
188: ok 2672
188: ok 2673
188: ok 2674
188: ok 2675
188: ok 2676
188: ok 2677
188: ok 2678
188: ok 2679
188: ok 2680
188: ok 2681
188: ok 2682
188: ok 2683
188: ok 2684
188: ok 2685
188: ok 2686
188: ok 2687
188: ok 2688
188: ok 2689
188: ok 2690
188: ok 2691
188: ok 2692
188: ok 2693
188: ok 2694
188: ok 2695
188: ok 2696
188: ok 2697
188: ok 2698
188: ok 2699
188: ok 2700
188: ok 2701
188: ok 2702
188: ok 2703
188: ok 2704
188: ok 2705
188: ok 2706
188: ok 2707
188: ok 2708
188: ok 2709
188: ok 2710
188: ok 2711
188: ok 2712
188: ok 2713
188: ok 2714
188: ok 2715
188: ok 2716
188: ok 2717
188: ok 2718
188: ok 2719
188: ok 2720
188: ok 2721
188: ok 2722
188: ok 2723
188: ok 2724
188: ok 2725
188: ok 2726
188: ok 2727
188: ok 2728
188: ok 2729
188: ok 2730
188: ok 2731
188: ok 2732
188: ok 2733
188: ok 2734
188: ok 2735
188: ok 2736
188: ok 2737
188: ok 2738
188: ok 2739
188: ok 2740
188: ok 2741
188: ok 2742
188: ok 2743
188: ok 2744
188: ok 2745
188: ok 2746
188: ok 2747
188: ok 2748
188: ok 2749
188: ok 2750
188: ok 2751
188: ok 2752
188: ok 2753
188: ok 2754
188: ok 2755
188: ok 2756
188: ok 2757
188: ok 2758
188: ok 2759
188: ok 2760
188: ok 2761
188: ok 2762
188: ok 2763
188: ok 2764
188: ok 2765
188: ok 2766
188: ok 2767
188: ok 2768
188: ok 2769
188: ok 2770
188: ok 2771
188: ok 2772
188: ok 2773
188: ok 2774
188: ok 2775
188: ok 2776
188: ok 2777
188: ok 2778
188: ok 2779
188: ok 2780
188: ok 2781
188: ok 2782
188: ok 2783
188: ok 2784
188: ok 2785
188: ok 2786
188: ok 2787
188: ok 2788
188: ok 2789
188: ok 2790
188: ok 2791
188: ok 2792
188: ok 2793
188: ok 2794
188: ok 2795
188: ok 2796
188: ok 2797
188: ok 2798
188: ok 2799
188: ok 2800
188: ok 2801
188: ok 2802
188: ok 2803
188: ok 2804
188: ok 2805
188: ok 2806
188: ok 2807
188: ok 2808
188: ok 2809
188: ok 2810
188: ok 2811
188: ok 2812
188: ok 2813
188: ok 2814
188: ok 2815
188: ok 2816
188: ok 2817
188: ok 2818
188: ok 2819
188: ok 2820
188: ok 2821
188: ok 2822
188: ok 2823
188: ok 2824
188: ok 2825
188: ok 2826
188: ok 2827
188: ok 2828
188: ok 2829
188: ok 2830
188: ok 2831
188: ok 2832
188: ok 2833
188: ok 2834
188: ok 2835
188: ok 2836
188: ok 2837
188: ok 2838
188: ok 2839
188: ok 2840
188: ok 2841
188: ok 2842
188: ok 2843
188: ok 2844
188: ok 2845
188: ok 2846
188: ok 2847
188: ok 2848
188: ok 2849
188: ok 2850
188: ok 2851
188: ok 2852
188: ok 2853
188: ok 2854
188: ok 2855
188: ok 2856
188: ok 2857
188: ok 2858
188: ok 2859
188: ok 2860
188: ok 2861
188: ok 2862
188: ok 2863
188: ok 2864
188: ok 2865
188: ok 2866
188: ok 2867
188: ok 2868
188: ok 2869
188: ok 2870
188: ok 2871
188: ok 2872
188: ok 2873
188: ok 2874
188: ok 2875
188: ok 2876
188: ok 2877
188: ok 2878
188: ok 2879
188: ok 2880
188: ok 2881
188: ok 2882
188: ok 2883
188: ok 2884
188: ok 2885
188: ok 2886
188: ok 2887
188: ok 2888
188: ok 2889
188: ok 2890
188: ok 2891
188: ok 2892
188: ok 2893
188: ok 2894
188: ok 2895
188: ok 2896
188: ok 2897
188: ok 2898
188: ok 2899
188: ok 2900
188: ok 2901
188: ok 2902
188: ok 2903
188: ok 2904
188: ok 2905
188: ok 2906
188: ok 2907
188: ok 2908
188: ok 2909
188: ok 2910
188: ok 2911
188: ok 2912
188: ok 2913
188: ok 2914
188: ok 2915
188: ok 2916
188: ok 2917
188: ok 2918
188: ok 2919
188: ok 2920
188: ok 2921
188: ok 2922
188: ok 2923
188: ok 2924
188: ok 2925
188: ok 2926
188: ok 2927
188: ok 2928
188: ok 2929
188: ok 2930
188: ok 2931
188: ok 2932
188: ok 2933
188: ok 2934
188: ok 2935
188: ok 2936
188: ok 2937
188: ok 2938
188: ok 2939
188: ok 2940
188: ok 2941
188: ok 2942
188: ok 2943
188: ok 2944
188: ok 2945
188: ok 2946
188: ok 2947
188: ok 2948
188: ok 2949
188: ok 2950
188: ok 2951
188: ok 2952
188: ok 2953
188: ok 2954
188: ok 2955
188: ok 2956
188: ok 2957
188: ok 2958
188: ok 2959
188: ok 2960
188: ok 2961
188: ok 2962
188: ok 2963
188: ok 2964
188: ok 2965
188: ok 2966
188: ok 2967
188: ok 2968
188: ok 2969
188: ok 2970
188: ok 2971
188: ok 2972
188: ok 2973
188: ok 2974
188: ok 2975
188: ok 2976
188: ok 2977
188: ok 2978
188: ok 2979
188: ok 2980
188: ok 2981
188: ok 2982
188: ok 2983
188: ok 2984
188: ok 2985
188: ok 2986
188: ok 2987
188: ok 2988
188: ok 2989
188: ok 2990
188: ok 2991
188: ok 2992
188: ok 2993
188: ok 2994
188: ok 2995
188: ok 2996
188: ok 2997
188: ok 2998
188: ok 2999
188: ok 3000
188: ok 3001
188: ok 3002
188: ok 3003
188: ok 3004
188: ok 3005
188: ok 3006
188: ok 3007
188: ok 3008
188: ok 3009
188: ok 3010
188: ok 3011
188: ok 3012
188: ok 3013
188: ok 3014
188: ok 3015
188: ok 3016
188: ok 3017
188: ok 3018
188: ok 3019
188: ok 3020
188: ok 3021
188: ok 3022
188: ok 3023
188: ok 3024
188: ok 3025
188: ok 3026
188: ok 3027
188: ok 3028
188: ok 3029
188: ok 3030
188: ok 3031
188: ok 3032
188: ok 3033
188: ok 3034
188: ok 3035
188: ok 3036
188: ok 3037
188: ok 3038
188: ok 3039
188: ok 3040
188: ok 3041
188: ok 3042
188: ok 3043
188: ok 3044
188: ok 3045
188: ok 3046
188: ok 3047
188: ok 3048
188: ok 3049
188: ok 3050
188: ok 3051
188: ok 3052
188: ok 3053
188: ok 3054
188: ok 3055
188: ok 3056
188: ok 3057
188: ok 3058
188: ok 3059
188: ok 3060
188: ok 3061
188: ok 3062
188: ok 3063
188: ok 3064
188: ok 3065
188: ok 3066
188: ok 3067
188: ok 3068
188: ok 3069
188: ok 3070
188: ok 3071
188: ok 3072
188: ok 3073
188: ok 3074
188: ok 3075
188: ok 3076
188: ok 3077
188: ok 3078
188: ok 3079
188: ok 3080
188: ok 3081
188: ok 3082
188: ok 3083
188: ok 3084
188: ok 3085
188: ok 3086
188: ok 3087
188: ok 3088
188: ok 3089
188: ok 3090
188: ok 3091
188: ok 3092
188: ok 3093
188: ok 3094
188: ok 3095
188: ok 3096
188: ok 3097
188: ok 3098
188: ok 3099
188: ok 3100
188: ok 3101
188: ok 3102
188: ok 3103
188: ok 3104
188: ok 3105
188: ok 3106
188: ok 3107
188: ok 3108
188: ok 3109
188: ok 3110
188: ok 3111
188: ok 3112
188: ok 3113
188: ok 3114
188: ok 3115
188: ok 3116
188: ok 3117
188: ok 3118
188: ok 3119
188: ok 3120
188: ok 3121
188: ok 3122
188: ok 3123
188: ok 3124
188: ok 3125
188: ok 3126
188: ok 3127
188: ok 3128
188: ok 3129
188: ok 3130
188: ok 3131
188: ok 3132
188: ok 3133
188: ok 3134
188: ok 3135
188: ok 3136
188: ok 3137
188: ok 3138
188: ok 3139
188: ok 3140
188: ok 3141
188: ok 3142
188: ok 3143
188: ok 3144
188: ok 3145
188: ok 3146
188: ok 3147
188: ok 3148
188: ok 3149
188: ok 3150
188: ok 3151
188: ok 3152
188: ok 3153
188: ok 3154
188: ok 3155
188: ok 3156
188: ok 3157
188: ok 3158
188: ok 3159
188: ok 3160
188: ok 3161
188: ok 3162
188: ok 3163
188: ok 3164
188: ok 3165
188: ok 3166
188: ok 3167
188: ok 3168
188: ok 3169
188: ok 3170
188: ok 3171
188: ok 3172
188: ok 3173
188: ok 3174
188: ok 3175
188: ok 3176
188: ok 3177
188: ok 3178
188: ok 3179
188: ok 3180
188: ok 3181
188: ok 3182
188: ok 3183
188: ok 3184
188: ok 3185
188: ok 3186
188: ok 3187
188: ok 3188
188: ok 3189
188: ok 3190
188: ok 3191
188: ok 3192
188: ok 3193
188: ok 3194
188: ok 3195
188: ok 3196
188: ok 3197
188: ok 3198
188: ok 3199
188: ok 3200
188: ok 3201
188: ok 3202
188: ok 3203
188: ok 3204
188: ok 3205
188: ok 3206
188: ok 3207
188: ok 3208
188: ok 3209
188: ok 3210
188: ok 3211
188: ok 3212
188: ok 3213
188: ok 3214
188: ok 3215
188: ok 3216
188: ok 3217
188: ok 3218
188: ok 3219
188: ok 3220
188: ok 3221
188: ok 3222
188: ok 3223
188: ok 3224
188: ok 3225
188: ok 3226
188: ok 3227
188: ok 3228
188: ok 3229
188: ok 3230
188: ok 3231
188: ok 3232
188: ok 3233
188: ok 3234
188: ok 3235
188: ok 3236
188: ok 3237
188: ok 3238
188: ok 3239
188: ok 3240
188: ok 3241
188: ok 3242
188: ok 3243
188: ok 3244
188: ok 3245
188: ok 3246
188: ok 3247
188: ok 3248
188: ok 3249
188: ok 3250
188: ok 3251
188: ok 3252
188: ok 3253
188: ok 3254
188: ok 3255
188: ok 3256
188: ok 3257
188: ok 3258
188: ok 3259
188: ok 3260
188: ok 3261
188: ok 3262
188: ok 3263
188: ok 3264
188: ok 3265
188: ok 3266
188: ok 3267
188: ok 3268
188: ok 3269
188: ok 3270
188: ok 3271
188: ok 3272
188: ok 3273
188: ok 3274
188: ok 3275
188: ok 3276
188: ok 3277
188: ok 3278
188: ok 3279
188: ok 3280
188: ok 3281
188: ok 3282
188: ok 3283
188: ok 3284
188: ok 3285
188: ok 3286
188: ok 3287
188: ok 3288
188: ok 3289
188: ok 3290
188: ok 3291
188: ok 3292
188: ok 3293
188: ok 3294
188: ok 3295
188: ok 3296
188: ok 3297
188: ok 3298
188: ok 3299
188: ok 3300
188: ok 3301
188: ok 3302
188: ok 3303
188: ok 3304
188: ok 3305
188: ok 3306
188: ok 3307
188: ok 3308
188: ok 3309
188: ok 3310
188: ok 3311
188: ok 3312
188: ok 3313
188: ok 3314
188: ok 3315
188: ok 3316
188: ok 3317
188: ok 3318
188: ok 3319
188: ok 3320
188: ok 3321
188: ok 3322
188: ok 3323
188: ok 3324
188: ok 3325
188: ok 3326
188: ok 3327
188: ok 3328
188: ok 3329
188: ok 3330
188: ok 3331
188: ok 3332
188: ok 3333
188: ok 3334
188: ok 3335
188: ok 3336
188: ok 3337
188: ok 3338
188: ok 3339
188: ok 3340
188: ok 3341
188: ok 3342
188: ok 3343
188: ok 3344
188: ok 3345
188: ok 3346
188: ok 3347
188: ok 3348
188: ok 3349
188: ok 3350
188: ok 3351
188: ok 3352
188: ok 3353
188: ok 3354
188: ok 3355
188: ok 3356
188: ok 3357
188: ok 3358
188: ok 3359
188: ok 3360
188: ok 3361
188: ok 3362
188: ok 3363
188: ok 3364
188: ok 3365
188: ok 3366
188: ok 3367
188: ok 3368
188: ok 3369
188: ok 3370
188: ok 3371
188: ok 3372
188: ok 3373
188: ok 3374
188: ok 3375
188: ok 3376
188: ok 3377
188: ok 3378
188: ok 3379
188: ok 3380
188: ok 3381
188: ok 3382
188: ok 3383
188: ok 3384
188: ok 3385
188: ok 3386
188: ok 3387
188: ok 3388
188: ok 3389
188: ok 3390
188: ok 3391
188: ok 3392
188: ok 3393
188: ok 3394
188: ok 3395
188: ok 3396
188: ok 3397
188: ok 3398
188: ok 3399
188: ok 3400
188: ok 3401
188: ok 3402
188: ok 3403
188: ok 3404
188: ok 3405
188: ok 3406
188: ok 3407
188: ok 3408
188: ok 3409
188: ok 3410
188: ok 3411
188: ok 3412
188: ok 3413
188: ok 3414
188: ok 3415
188: ok 3416
188: ok 3417
188: ok 3418
188: ok 3419
188: ok 3420
188: ok 3421
188: ok 3422
188: ok 3423
188: ok 3424
188: ok 3425
188: ok 3426
188: ok 3427
188: ok 3428
188: ok 3429
188: ok 3430
188: ok 3431
188: ok 3432
188: ok 3433
188: ok 3434
188: ok 3435
188: ok 3436
188: ok 3437
188: ok 3438
188: ok 3439
188: ok 3440
188: ok 3441
188: ok 3442
188: ok 3443
188: ok 3444
188: ok 3445
188: ok 3446
188: ok 3447
188: ok 3448
188: ok 3449
188: ok 3450
188: ok 3451
188: ok 3452
188: ok 3453
188: ok 3454
188: ok 3455
188: ok 3456
188: ok 3457
188: ok 3458
188: ok 3459
188: ok 3460
188: ok 3461
188: ok 3462
188: ok 3463
188: ok 3464
188: ok 3465
188: ok 3466
188: ok 3467
188: ok 3468
188: ok 3469
188: ok 3470
188: ok 3471
188: ok 3472
188: ok 3473
188: ok 3474
188: ok 3475
188: ok 3476
188: ok 3477
188: ok 3478
188: ok 3479
188: ok 3480
188: ok 3481
188: ok 3482
188: ok 3483
188: ok 3484
188: ok 3485
188: ok 3486
188: ok 3487
188: ok 3488
188: ok 3489
188: ok 3490
188: ok 3491
188: ok 3492
188: ok 3493
188: ok 3494
188: ok 3495
188: ok 3496
188: ok 3497
188: ok 3498
188: ok 3499
188: ok 3500
188: ok 3501
188: ok 3502
188: ok 3503
188: ok 3504
188: ok 3505
188: ok 3506
188: ok 3507
188: ok 3508
188: ok 3509
188: ok 3510
188: ok 3511
188: ok 3512
188: ok 3513
188: ok 3514
188: ok 3515
188: ok 3516
188: ok 3517
188: ok 3518
188: ok 3519
188: ok 3520
188: ok 3521
188: ok 3522
188: ok 3523
188: ok 3524
188: ok 3525
188: ok 3526
188: ok 3527
188: ok 3528
188: ok 3529
188: ok 3530
188: ok 3531
188: ok 3532
188: ok 3533
188: ok 3534
188: ok 3535
188: ok 3536
188: ok 3537
188: ok 3538
188: ok 3539
188: ok 3540
188: ok 3541
188: ok 3542
188: ok 3543
188: ok 3544
188: ok 3545
188: ok 3546
188: ok 3547
188: ok 3548
188: ok 3549
188: ok 3550
188: ok 3551
188: ok 3552
188: ok 3553
188: ok 3554
188: ok 3555
188: ok 3556
188: ok 3557
188: ok 3558
188: ok 3559
188: ok 3560
188: ok 3561
188: ok 3562
188: ok 3563
188: ok 3564
188: ok 3565
188: ok 3566
188: ok 3567
188: ok 3568
188: ok 3569
188: ok 3570
188: ok 3571
188: ok 3572
188: ok 3573
188: ok 3574
188: ok 3575
188: ok 3576
188: ok 3577
188: ok 3578
188: ok 3579
188: ok 3580
188: ok 3581
188: ok 3582
188: ok 3583
188: ok 3584
188: ok 3585
188: ok 3586
188: ok 3587
188: ok 3588
188: ok 3589
188: ok 3590
188: ok 3591
188: ok 3592
188: ok 3593
188: ok 3594
188: ok 3595
188: ok 3596
188: ok 3597
188: ok 3598
188: ok 3599
188: ok 3600
188: ok 3601
188: ok 3602
188: ok 3603
188: ok 3604
188: ok 3605
188: ok 3606
188: ok 3607
188: ok 3608
188: ok 3609
188: ok 3610
188: ok 3611
188: ok 3612
188: ok 3613
188: ok 3614
188: ok 3615
188: ok 3616
188: ok 3617
188: ok 3618
188: ok 3619
188: ok 3620
188: ok 3621
188: ok 3622
188: ok 3623
188: ok 3624
188: ok 3625
188: ok 3626
188: ok 3627
188: ok 3628
188: ok 3629
188: ok 3630
188: ok 3631
188: ok 3632
188: ok 3633
188: ok 3634
188: ok 3635
188: ok 3636
188: ok 3637
188: ok 3638
188: ok 3639
188: ok 3640
188: ok 3641
188: ok 3642
188: ok 3643
188: ok 3644
188: ok 3645
188: ok 3646
188: ok 3647
188: ok 3648
188: ok 3649
188: ok 3650
188: ok 3651
188: ok 3652
188: ok 3653
188: ok 3654
188: ok 3655
188: ok 3656
188: ok 3657
188: ok 3658
188: ok 3659
188: ok 3660
188: ok 3661
188: ok 3662
188: ok 3663
188: ok 3664
188: ok 3665
188: ok 3666
188: ok 3667
188: ok 3668
188: ok 3669
188: ok 3670
188: ok 3671
188: ok 3672
188: ok 3673
188: ok 3674
188: ok 3675
188: ok 3676
188: ok 3677
188: ok 3678
188: ok 3679
188: ok 3680
188: ok 3681
188: ok 3682
188: ok 3683
188: ok 3684
188: ok 3685
188: ok 3686
188: ok 3687
188: ok 3688
188: ok 3689
188: ok 3690
188: ok 3691
188: ok 3692
188: ok 3693
188: ok 3694
188: ok 3695
188: ok 3696
188: ok 3697
188: ok 3698
188: ok 3699
188: ok 3700
188: ok 3701
188: ok 3702
188: ok 3703
188: ok 3704
188: ok 3705
188: ok 3706
188: ok 3707
188: ok 3708
188: ok 3709
188: ok 3710
188: ok 3711
188: ok 3712
188: ok 3713
188: ok 3714
188: ok 3715
188: ok 3716
188: ok 3717
188: ok 3718
188: ok 3719
188: ok 3720
188: ok 3721
188: ok 3722
188: ok 3723
188: ok 3724
188: ok 3725
188: ok 3726
188: ok 3727
188: ok 3728
188: ok 3729
188: ok 3730
188: ok 3731
188: ok 3732
188: ok 3733
188: ok 3734
188: ok 3735
188: ok 3736
188: ok 3737
188: ok 3738
188: ok 3739
188: ok 3740
188: ok 3741
188: ok 3742
188: ok 3743
188: ok 3744
188: ok 3745
188: ok 3746
188: ok 3747
188: ok 3748
188: ok 3749
188: ok 3750
188: ok 3751
188: ok 3752
188: ok 3753
188: ok 3754
188: ok 3755
188: ok 3756
188: ok 3757
188: ok 3758
188: ok 3759
188: ok 3760
188: ok 3761
188: ok 3762
188: ok 3763
188: ok 3764
188: ok 3765
188: ok 3766
188: ok 3767
188: ok 3768
188: ok 3769
188: ok 3770
188: ok 3771
188: ok 3772
188: ok 3773
188: ok 3774
188: ok 3775
188: ok 3776
188: ok 3777
188: ok 3778
188: ok 3779
188: ok 3780
188: ok 3781
188: ok 3782
188: ok 3783
188: ok 3784
188: ok 3785
188: ok 3786
188: ok 3787
188: ok 3788
188: ok 3789
188: ok 3790
188: ok 3791
188: ok 3792
188: ok 3793
188: ok 3794
188: ok 3795
188: ok 3796
188: ok 3797
188: ok 3798
188: ok 3799
188: ok 3800
188: ok 3801
188: ok 3802
188: ok 3803
188: ok 3804
188: ok 3805
188: ok 3806
188: ok 3807
188: ok 3808
188: ok 3809
188: ok 3810
188: ok 3811
188: ok 3812
188: ok 3813
188: ok 3814
188: ok 3815
188: ok 3816
188: ok 3817
188: ok 3818
188: ok 3819
188: ok 3820
188: ok 3821
188: ok 3822
188: ok 3823
188: ok 3824
188: ok 3825
188: ok 3826
188: ok 3827
188: ok 3828
188: ok 3829
188: ok 3830
188: ok 3831
188: ok 3832
188: ok 3833
188: ok 3834
188: ok 3835
188: ok 3836
188: ok 3837
188: ok 3838
188: ok 3839
188: ok 3840
188: ok 3841
188: ok 3842
188: ok 3843
188: ok 3844
188: ok 3845
188: ok 3846
188: ok 3847
188: ok 3848
188: ok 3849
188: ok 3850
188: ok 3851
188: ok 3852
188: ok 3853
188: ok 3854
188: ok 3855
188: ok 3856
188: ok 3857
188: ok 3858
188: ok 3859
188: ok 3860
188: ok 3861
188: ok 3862
188: ok 3863
188: ok 3864
188: ok 3865
188: ok 3866
188: ok 3867
188: ok 3868
188: ok 3869
188: ok 3870
188: ok 3871
188: ok 3872
188: ok 3873
188: ok 3874
188: ok 3875
188: ok 3876
188: ok 3877
188: ok 3878
188: ok 3879
188: ok 3880
188: ok 3881
188: ok 3882
188: ok 3883
188: ok 3884
188: ok 3885
188: ok 3886
188: ok 3887
188: ok 3888
188: ok 3889
188: ok 3890
188: ok 3891
188: ok 3892
188: ok 3893
188: ok 3894
188: ok 3895
188: ok 3896
188: ok 3897
188: ok 3898
188: ok 3899
188: ok 3900
188: ok 3901
188: ok 3902
188: ok 3903
188: ok 3904
188: ok 3905
188: ok 3906
188: ok 3907
188: ok 3908
188: ok 3909
188: ok 3910
188: ok 3911
188: ok 3912
188: ok 3913
188: ok 3914
188: ok 3915
188: ok 3916
188: ok 3917
188: ok 3918
188: ok 3919
188: ok 3920
188: ok 3921
188: ok 3922
188: ok 3923
188: ok 3924
188: ok 3925
188: ok 3926
188: ok 3927
188: ok 3928
188: ok 3929
188: ok 3930
188: ok 3931
188: ok 3932
188: ok 3933
188: ok 3934
188: ok 3935
188: ok 3936
188: ok 3937
188: ok 3938
188: ok 3939
188: ok 3940
188: ok 3941
188: ok 3942
188: ok 3943
188: ok 3944
188: ok 3945
188: ok 3946
188: ok 3947
188: ok 3948
188: ok 3949
188: ok 3950
188: ok 3951
188: ok 3952
188: ok 3953
188: ok 3954
188: ok 3955
188: ok 3956
188: ok 3957
188: ok 3958
188: ok 3959
188: ok 3960
188: ok 3961
188: ok 3962
188: ok 3963
188: ok 3964
188: ok 3965
188: ok 3966
188: ok 3967
188: ok 3968
188: ok 3969
188: ok 3970
188: ok 3971
188: ok 3972
188: ok 3973
188: ok 3974
188: ok 3975
188: ok 3976
188: ok 3977
188: ok 3978
188: ok 3979
188: ok 3980
188: ok 3981
188: ok 3982
188: ok 3983
188: ok 3984
188: ok 3985
188: ok 3986
188: ok 3987
188: ok 3988
188: ok 3989
188: ok 3990
188: ok 3991
188: ok 3992
188: ok 3993
188: ok 3994
188: ok 3995
188: ok 3996
188: ok 3997
188: ok 3998
188: ok 3999
188: ok 4000
188: ok 4001
188: ok 4002
188: ok 4003
188: ok 4004
188: ok 4005
188: ok 4006
188: ok 4007
188: ok 4008
188: ok 4009
188: ok 4010
188: ok 4011
188: ok 4012
188: ok 4013
188: ok 4014
188: ok 4015
188: ok 4016
188: ok 4017
188: ok 4018
188: ok 4019
188: ok 4020
188: ok 4021
188: ok 4022
188: ok 4023
188: ok 4024
188: ok 4025
188: ok 4026
188: ok 4027
188: ok 4028
188: ok 4029
188: ok 4030
188: ok 4031
188: ok 4032
188: ok 4033
188: ok 4034
188: ok 4035
188: ok 4036
188: ok 4037
188: ok 4038
188: ok 4039
188: ok 4040
188: ok 4041
188: ok 4042
188: ok 4043
188: ok 4044
188: ok 4045
188: ok 4046
188: ok 4047
188: ok 4048
188: ok 4049
188: ok 4050
188: ok 4051
188: ok 4052
188: ok 4053
188: ok 4054
188: ok 4055
188: ok 4056
188: ok 4057
188: ok 4058
188: ok 4059
188: ok 4060
188: ok 4061
188: ok 4062
188: ok 4063
188: ok 4064
188: ok 4065
188: ok 4066
188: ok 4067
188: ok 4068
188: ok 4069
188: ok 4070
188: ok 4071
188: ok 4072
188: ok 4073
188: ok 4074
188: ok 4075
188: ok 4076
188: ok 4077
188: ok 4078
188: ok 4079
188: ok 4080
188: ok 4081
188: ok 4082
188: ok 4083
188: ok 4084
188: ok 4085
188: ok 4086
188: ok 4087
188: ok 4088
188: ok 4089
188: ok 4090
188: ok 4091
188: ok 4092
188: ok 4093
188: ok 4094
188: ok 4095
188: ok 4096
188: ok 4097
188: ok 4098
188: ok 4099
188: ok 4100
188: ok 4101
188: ok 4102
188: ok 4103
188: ok 4104
188: ok 4105
188: ok 4106
188: ok 4107
188: ok 4108
188: ok 4109
188: ok 4110
188: ok 4111
188: ok 4112
188: ok 4113
188: ok 4114
188: ok 4115
188: ok 4116
188: ok 4117
188: ok 4118
188: ok 4119
188: ok 4120
188: ok 4121
188: ok 4122
188: ok 4123
188: ok 4124
188: ok 4125
188: ok 4126
188: ok 4127
188: ok 4128
188: ok 4129
188: ok 4130
188: ok 4131
188: ok 4132
188: ok 4133
188: ok 4134
188: ok 4135
188: ok 4136
188: ok 4137
188: ok 4138
188: ok 4139
188: ok 4140
188: ok 4141
188: ok 4142
188: ok 4143
188: ok 4144
188: ok 4145
188: ok 4146
188: ok 4147
188: ok 4148
188: ok 4149
188: ok 4150
188: ok 4151
188: ok 4152
188: ok 4153
188: ok 4154
188: ok 4155
188: ok 4156
188: ok 4157
188: ok 4158
188: ok 4159
188: ok 4160
188: ok 4161
188: ok 4162
188: ok 4163
188: ok 4164
188: ok 4165
188: ok 4166
188: ok 4167
188: ok 4168
188: ok 4169
188: ok 4170
188: ok 4171
188: ok 4172
188: ok 4173
188: ok 4174
188: ok 4175
188: ok 4176
188: ok 4177
188: ok 4178
188: ok 4179
188: ok 4180
188: ok 4181
188: ok 4182
188: ok 4183
188: ok 4184
188: ok 4185
188: ok 4186
188: ok 4187
188: ok 4188
188: ok 4189
188: ok 4190
188: ok 4191
188: ok 4192
188: ok 4193
188: ok 4194
188: ok 4195
188: ok 4196
188: ok 4197
188: ok 4198
188: ok 4199
188: ok 4200
188: ok 4201
188: ok 4202
188: ok 4203
188: ok 4204
188: ok 4205
188: ok 4206
188: ok 4207
188: ok 4208
188: ok 4209
188: ok 4210
188: ok 4211
188: ok 4212
188: ok 4213
188: ok 4214
188: ok 4215
188: ok 4216
188: ok 4217
188: ok 4218
188: ok 4219
188: ok 4220
188: ok 4221
188: ok 4222
188: ok 4223
188: ok 4224
188: ok 4225
188: ok 4226
188: ok 4227
188: ok 4228
188: ok 4229
188: ok 4230
188: ok 4231
188: ok 4232
188: ok 4233
188: ok 4234
188: ok 4235
188: ok 4236
188: ok 4237
188: ok 4238
188: ok 4239
188: ok 4240
188: ok 4241
188: ok 4242
188: ok 4243
188: ok 4244
188: ok 4245
188: ok 4246
188: ok 4247
188: ok 4248
188: ok 4249
188: ok 4250
188: ok 4251
188: ok 4252
188: ok 4253
188: ok 4254
188: ok 4255
188: ok 4256
188: ok 4257
188: ok 4258
188: ok 4259
188: ok 4260
188: ok 4261
188: ok 4262
188: ok 4263
188: ok 4264
188: ok 4265
188: ok 4266
188: ok 4267
188: ok 4268
188: ok 4269
188: ok 4270
188: ok 4271
188: ok 4272
188: ok 4273
188: ok 4274
188: ok 4275
188: ok 4276
188: ok 4277
188: ok 4278
188: ok 4279
188: ok 4280
188: ok 4281
188: ok 4282
188: ok 4283
188: ok 4284
188: ok 4285
188: ok 4286
188: ok 4287
188: ok 4288
188: ok 4289
188: ok 4290
188: ok 4291
188: ok 4292
188: ok 4293
188: ok 4294
188: ok 4295
188: ok 4296
188: ok 4297
188: ok 4298
188: ok 4299
188: ok 4300
188: ok 4301
188: ok 4302
188: ok 4303
188: ok 4304
188: ok 4305
188: ok 4306
188: ok 4307
188: ok 4308
188: ok 4309
188: ok 4310
188: ok 4311
188: ok 4312
188: ok 4313
188: ok 4314
188: ok 4315
188: ok 4316
188: ok 4317
188: ok 4318
188: ok 4319
188: ok 4320
188: ok 4321
188: ok 4322
188: ok 4323
188: ok 4324
188: ok 4325
188: ok 4326
188: ok 4327
188: ok 4328
188: ok 4329
188: ok 4330
188: ok 4331
188: ok 4332
188: ok 4333
188: ok 4334
188: ok 4335
188: ok 4336
188: ok 4337
188: ok 4338
188: ok 4339
188: ok 4340
188: ok 4341
188: ok 4342
188: ok 4343
188: ok 4344
188: ok 4345
188: ok 4346
188: ok 4347
188: ok 4348
188: ok 4349
188: ok 4350
188: ok 4351
188: ok 4352
188: ok 4353
188: ok 4354
188: ok 4355
188: ok 4356
188: ok 4357
188: ok 4358
188: ok 4359
188: ok 4360
188: ok 4361
188: ok 4362
188: ok 4363
188: ok 4364
188: ok 4365
188: ok 4366
188: ok 4367
188: ok 4368
188: ok 4369
188: ok 4370
188: ok 4371
188: ok 4372
188: ok 4373
188: ok 4374
188: ok 4375
188: ok 4376
188: ok 4377
188: ok 4378
188: ok 4379
188: ok 4380
188: ok 4381
188: ok 4382
188: ok 4383
188: ok 4384
188: ok 4385
188: ok 4386
188: ok 4387
188: ok 4388
188: ok 4389
188: ok 4390
188: ok 4391
188: ok 4392
188: ok 4393
188: ok 4394
188: ok 4395
188: ok 4396
188: ok 4397
188: ok 4398
188: ok 4399
188: ok 4400
188: ok 4401
188: ok 4402
188: ok 4403
188: ok 4404
188: ok 4405
188: ok 4406
188: ok 4407
188: ok 4408
188: ok 4409
188: ok 4410
188: ok 4411
188: ok 4412
188: ok 4413
188: ok 4414
188: ok 4415
188: ok 4416
188: ok 4417
188: ok 4418
188: ok 4419
188: ok 4420
188: ok 4421
188: ok 4422
188: ok 4423
188: ok 4424
188: ok 4425
188: ok 4426
188: ok 4427
188: ok 4428
188: ok 4429
188: ok 4430
188: ok 4431
188: ok 4432
188: ok 4433
188: ok 4434
188: ok 4435
188: ok 4436
188: ok 4437
188: ok 4438
188: ok 4439
188: ok 4440
188: ok 4441
188: ok 4442
188: ok 4443
188: ok 4444
188: ok 4445
188: ok 4446
188: ok 4447
188: ok 4448
188: ok 4449
188: ok 4450
188: ok 4451
188: ok 4452
188: ok 4453
188: ok 4454
188: ok 4455
188: ok 4456
188: ok 4457
188: ok 4458
188: ok 4459
188: ok 4460
188: ok 4461
188: ok 4462
188: ok 4463
188: ok 4464
188: ok 4465
188: ok 4466
188: ok 4467
188: ok 4468
188: ok 4469
188: ok 4470
188: ok 4471
188: ok 4472
188: ok 4473
188: ok 4474
188: ok 4475
188: ok 4476
188: ok 4477
188: ok 4478
188: ok 4479
188: ok 4480
188: ok 4481
188: ok 4482
188: ok 4483
188: ok 4484
188: ok 4485
188: ok 4486
188: ok 4487
188: ok 4488
188: ok 4489
188: ok 4490
188: ok 4491
188: ok 4492
188: ok 4493
188: ok 4494
188: ok 4495
188: ok 4496
188: ok 4497
188: ok 4498
188: ok 4499
188: ok 4500
188: ok 4501
188: ok 4502
188: ok 4503
188: ok 4504
188: ok 4505
188: ok 4506
188: ok 4507
188: ok 4508
188: ok 4509
188: ok 4510
188: ok 4511
188: ok 4512
188: ok 4513
188: ok 4514
188: ok 4515
188: ok 4516
188: ok 4517
188: ok 4518
188: ok 4519
188: ok 4520
188: ok 4521
188: ok 4522
188: ok 4523
188: ok 4524
188: ok 4525
188: ok 4526
188: ok 4527
188: ok 4528
188: ok 4529
188: ok 4530
188: ok 4531
188: ok 4532
188: ok 4533
188: ok 4534
188: ok 4535
188: ok 4536
188: ok 4537
188: ok 4538
188: ok 4539
188: ok 4540
188: ok 4541
188: ok 4542
188: ok 4543
188: ok 4544
188: ok 4545
188: ok 4546
188: ok 4547
188: ok 4548
188: ok 4549
188: ok 4550
188: ok 4551
188: ok 4552
188: ok 4553
188: ok 4554
188: ok 4555
188: ok 4556
188: ok 4557
188: ok 4558
188: ok 4559
188: ok 4560
188: ok 4561
188: ok 4562
188: ok 4563
188: ok 4564
188: ok 4565
188: ok 4566
188: ok 4567
188: ok 4568
188: ok 4569
188: ok 4570
188: ok 4571
188: ok 4572
188: ok 4573
188: ok 4574
188: ok 4575
188: ok 4576
188: ok 4577
188: ok 4578
188: ok 4579
188: ok 4580
188: ok 4581
188: ok 4582
188: ok 4583
188: ok 4584
188: ok 4585
188: ok 4586
188: ok 4587
188: ok 4588
188: ok 4589
188: ok 4590
188: ok 4591
188: ok 4592
188: ok 4593
188: ok 4594
188: ok 4595
188: ok 4596
188: ok 4597
188: ok 4598
188: ok 4599
188: ok 4600
188: ok 4601
188: ok 4602
188: ok 4603
188: ok 4604
188: ok 4605
188: ok 4606
188: ok 4607
188: ok 4608
188: ok 4609
188: ok 4610
188: ok 4611
188: ok 4612
188: ok 4613
188: ok 4614
188: ok 4615
188: ok 4616
188: ok 4617
188: ok 4618
188: ok 4619
188: ok 4620
188: ok 4621
188: ok 4622
188: ok 4623
188: ok 4624
188: ok 4625
188: ok 4626
188: ok 4627
188: ok 4628
188: ok 4629
188: ok 4630
188: ok 4631
188: ok 4632
188: ok 4633
188: ok 4634
188: ok 4635
188: ok 4636
188: ok 4637
188: ok 4638
188: ok 4639
188: ok 4640
188: ok 4641
188: ok 4642
188: ok 4643
188: ok 4644
188: ok 4645
188: ok 4646
188: ok 4647
188: ok 4648
188: ok 4649
188: ok 4650
188: ok 4651
188: ok 4652
188: ok 4653
188: ok 4654
188: ok 4655
188: ok 4656
188: ok 4657
188: ok 4658
188: ok 4659
188: ok 4660
188: ok 4661
188: ok 4662
188: ok 4663
188: ok 4664
188: ok 4665
188: ok 4666
188: ok 4667
188: ok 4668
188: ok 4669
188: ok 4670
188: ok 4671
188: ok 4672
188: ok 4673
188: ok 4674
188: ok 4675
188: ok 4676
188: ok 4677
188: ok 4678
188: ok 4679
188: ok 4680
188: ok 4681
188: ok 4682
188: ok 4683
188: ok 4684
188: ok 4685
188: ok 4686
188: ok 4687
188: ok 4688
188: ok 4689
188: ok 4690
188: ok 4691
188: ok 4692
188: ok 4693
188: ok 4694
188: ok 4695
188: ok 4696
188: ok 4697
188: ok 4698
188: ok 4699
188: ok 4700
188: ok 4701
188: ok 4702
188: ok 4703
188: ok 4704
188: ok 4705
188: ok 4706
188: ok 4707
188: ok 4708
188: ok 4709
188: ok 4710
188: ok 4711
188: ok 4712
188: ok 4713
188: ok 4714
188: ok 4715
188: ok 4716
188: ok 4717
188: ok 4718
188: ok 4719
188: ok 4720
188: ok 4721
188: ok 4722
188: ok 4723
188: ok 4724
188: ok 4725
188: ok 4726
188: ok 4727
188: ok 4728
188: ok 4729
188: ok 4730
188: ok 4731
188: ok 4732
188: ok 4733
188: ok 4734
188: ok 4735
188: ok 4736
188: ok 4737
188: ok 4738
188: ok 4739
188: ok 4740
188: ok 4741
188: ok 4742
188: ok 4743
188: ok 4744
188: ok 4745
188: ok 4746
188: ok 4747
188: ok 4748
188: ok 4749
188: ok 4750
188: ok 4751
188: ok 4752
188: ok 4753
188: ok 4754
188: ok 4755
188: ok 4756
188: ok 4757
188: ok 4758
188: ok 4759
188: ok 4760
188: ok 4761
188: ok 4762
188: ok 4763
188: ok 4764
188: ok 4765
188: ok 4766
188: ok 4767
188: ok 4768
188: ok 4769
188: ok 4770
188: ok 4771
188: ok 4772
188: ok 4773
188: ok 4774
188: ok 4775
188: ok 4776
188: ok 4777
188: ok 4778
188: ok 4779
188: ok 4780
188: ok 4781
188: ok 4782
188: ok 4783
188: ok 4784
188: ok 4785
188: ok 4786
188: ok 4787
188: ok 4788
188: ok 4789
188: ok 4790
188: ok 4791
188: ok 4792
188: ok 4793
188: ok 4794
188: ok 4795
188: ok 4796
188: ok 4797
188: ok 4798
188: ok 4799
188: ok 4800
188: ok 4801
188: ok 4802
188: ok 4803
188: ok 4804
188: ok 4805
188: ok 4806
188: ok 4807
188: ok 4808
188: ok 4809
188: ok 4810
188: ok 4811
188: ok 4812
188: ok 4813
188: ok 4814
188: ok 4815
188: ok 4816
188: ok 4817
188: ok 4818
188: ok 4819
188: ok 4820
188: ok 4821
188: ok 4822
188: ok 4823
188: ok 4824
188: ok 4825
188: ok 4826
188: ok 4827
188: ok 4828
188: ok 4829
188: ok 4830
188: ok 4831
188: ok 4832
188: ok 4833
188: ok 4834
188: ok 4835
188: ok 4836
188: ok 4837
188: ok 4838
188: ok 4839
188: ok 4840
188: ok 4841
188: ok 4842
188: ok 4843
188: ok 4844
188: ok 4845
188: ok 4846
188: ok 4847
188: ok 4848
188: ok 4849
188: ok 4850
188: ok 4851
188: ok 4852
188: ok 4853
188: ok 4854
188: ok 4855
188: ok 4856
188: ok 4857
188: ok 4858
188: ok 4859
188: ok 4860
188: ok 4861
188: ok 4862
188: ok 4863
188: ok 4864
188: ok 4865
188: ok 4866
188: ok 4867
188: ok 4868
188: ok 4869
188: ok 4870
188: ok 4871
188: ok 4872
188: ok 4873
188: ok 4874
188: ok 4875
188: ok 4876
188: ok 4877
188: ok 4878
188: ok 4879
188: ok 4880
188: ok 4881
188: ok 4882
188: ok 4883
188: ok 4884
188: ok 4885
188: ok 4886
188: ok 4887
188: ok 4888
188: ok 4889
188: ok 4890
188: ok 4891
188: ok 4892
188: ok 4893
188: ok 4894
188: ok 4895
188: ok 4896
188: ok 4897
188: ok 4898
188: ok 4899
188: ok 4900
188: ok 4901
188: ok 4902
188: ok 4903
188: ok 4904
188: ok 4905
188: ok 4906
188: ok 4907
188: ok 4908
188: ok 4909
188: ok 4910
188: ok 4911
188: ok 4912
188: ok 4913
188: ok 4914
188: ok 4915
188: ok 4916
188: ok 4917
188: ok 4918
188: ok 4919
188: ok 4920
188: ok 4921
188: ok 4922
188: ok 4923
188: ok 4924
188: ok 4925
188: ok 4926
188: ok 4927
188: ok 4928
188: ok 4929
188: ok 4930
188: ok 4931
188: ok 4932
188: ok 4933
188: ok 4934
188: ok 4935
188: ok 4936
188: ok 4937
188: ok 4938
188: ok 4939
188: ok 4940
188: ok 4941
188: ok 4942
188: ok 4943
188: ok 4944
188: ok 4945
188: ok 4946
188: ok 4947
188: ok 4948
188: ok 4949
188: ok 4950
188: ok 4951
188: ok 4952
188: ok 4953
188: ok 4954
188: ok 4955
188: ok 4956
188: ok 4957
188: ok 4958
188: ok 4959
188: ok 4960
188: ok 4961
188: ok 4962
188: ok 4963
188: ok 4964
188: ok 4965
188: ok 4966
188: ok 4967
188: ok 4968
188: ok 4969
188: ok 4970
188: ok 4971
188: ok 4972
188: ok 4973
188: ok 4974
188: ok 4975
188: ok 4976
188: ok 4977
188: ok 4978
188: ok 4979
188: ok 4980
188: ok 4981
188: ok 4982
188: ok 4983
188: ok 4984
188: ok 4985
188: ok 4986
188: ok 4987
188: ok 4988
188: ok 4989
188: ok 4990
188: ok 4991
188: ok 4992
188: ok 4993
188: ok 4994
188: ok 4995
188: ok 4996
188: ok 4997
188: ok 4998
188: ok 4999
188: ok 5000
188: ok 5001
188: ok 5002
188: ok 5003
188: ok 5004
188: ok 5005
188: ok 5006
188: ok 5007
188: ok 5008
188: ok 5009
188: ok 5010
188: ok 5011
188: ok 5012
188: ok 5013
188: ok 5014
188: ok 5015
188: ok 5016
188: ok 5017
188: ok 5018
188: ok 5019
188: ok 5020
188: ok 5021
188: ok 5022
188: ok 5023
188: ok 5024
188: ok 5025
188: ok 5026
188: ok 5027
188: ok 5028
188: ok 5029
188: ok 5030
188: ok 5031
188: ok 5032
188: ok 5033
188: ok 5034
188: ok 5035
188: ok 5036
188: ok 5037
188: ok 5038
188: ok 5039
188: ok 5040
188: ok 5041
188: ok 5042
188: ok 5043
188: ok 5044
188: ok 5045
188: ok 5046
188: ok 5047
188: ok 5048
188: ok 5049
188: ok 5050
188: ok 5051
188: ok 5052
188: ok 5053
188: ok 5054
188: ok 5055
188: ok 5056
188: ok 5057
188: ok 5058
188: ok 5059
188: ok 5060
188: ok 5061
188: ok 5062
188: ok 5063
188: ok 5064
188: ok 5065
188: ok 5066
188: ok 5067
188: ok 5068
188: ok 5069
188: ok 5070
188: ok 5071
188: ok 5072
188: ok 5073
188: ok 5074
188: ok 5075
188: ok 5076
188: ok 5077
188: ok 5078
188: ok 5079
188: ok 5080
188: ok 5081
188: ok 5082
188: ok 5083
188: ok 5084
188: ok 5085
188: ok 5086
188: ok 5087
188: ok 5088
188: ok 5089
188: ok 5090
188: ok 5091
188: ok 5092
188: ok 5093
188: ok 5094
188: ok 5095
188: ok 5096
188: ok 5097
188: ok 5098
188: ok 5099
188: ok 5100
188: ok 5101
188: ok 5102
188: ok 5103
188: ok 5104
188: ok 5105
188: ok 5106
188: ok 5107
188: ok 5108
188: ok 5109
188: ok 5110
188: ok 5111
188: ok 5112
188: ok 5113
188: ok 5114
188: ok 5115
188: ok 5116
188: ok 5117
188: ok 5118
188: ok 5119
188: ok 5120
188: ok 5121
188: ok 5122
188: ok 5123
188: ok 5124
188: ok 5125
188: ok 5126
188: ok 5127
188: ok 5128
188: ok 5129
188: ok 5130
188: ok 5131
188: ok 5132
188: ok 5133
188: ok 5134
188: ok 5135
188: ok 5136
188: ok 5137
188: ok 5138
188: ok 5139
188: ok 5140
188: ok 5141
188: ok 5142
188: ok 5143
188: ok 5144
188: ok 5145
188: ok 5146
188: ok 5147
188: ok 5148
188: ok 5149
188: ok 5150
188: ok 5151
188: ok 5152
188: ok 5153
188: ok 5154
188: ok 5155
188: ok 5156
188: ok 5157
188: ok 5158
188: ok 5159
188: ok 5160
188: ok 5161
188: ok 5162
188: ok 5163
188: ok 5164
188: ok 5165
188: ok 5166
188: ok 5167
188: ok 5168
188: ok 5169
188: ok 5170
188: ok 5171
188: ok 5172
188: ok 5173
188: ok 5174
188: ok 5175
188: ok 5176
188: ok 5177
188: ok 5178
188: ok 5179
188: ok 5180
188: ok 5181
188: ok 5182
188: ok 5183
188: ok 5184
188: ok 5185
188: ok 5186
188: ok 5187
188: ok 5188
188: ok 5189
188: ok 5190
188: ok 5191
188: ok 5192
188: ok 5193
188: ok 5194
188: ok 5195
188: ok 5196
188: ok 5197
188: ok 5198
188: ok 5199
188: ok 5200
188: ok 5201
188: ok 5202
188: ok 5203
188: ok 5204
188: ok 5205
188: ok 5206
188: ok 5207
188: ok 5208
188: ok 5209
188: ok 5210
188: ok 5211
188: ok 5212
188: ok 5213
188: ok 5214
188: ok 5215
188: ok 5216
188: ok 5217
188: ok 5218
188: ok 5219
188: ok 5220
188: ok 5221
188: ok 5222
188: ok 5223
188: ok 5224
188: ok 5225
188: ok 5226
188: ok 5227
188: ok 5228
188: ok 5229
188: ok 5230
188: ok 5231
188: ok 5232
188: ok 5233
188: ok 5234
188: ok 5235
188: ok 5236
188: ok 5237
188: ok 5238
188: ok 5239
188: ok 5240
188: ok 5241
188: ok 5242
188: ok 5243
188: ok 5244
188: ok 5245
188: ok 5246
188: ok 5247
188: ok 5248
188: ok 5249
188: ok 5250
188: ok 5251
188: ok 5252
188: ok 5253
188: ok 5254
188: ok 5255
188: ok 5256
188: ok 5257
188: ok 5258
188: ok 5259
188: ok 5260
188: ok 5261
188: ok 5262
188: ok 5263
188: ok 5264
188: ok 5265
188: ok 5266
188: ok 5267
188: ok 5268
188: ok 5269
188: ok 5270
188: ok 5271
188: ok 5272
188: ok 5273
188: ok 5274
188: ok 5275
188: ok 5276
188: ok 5277
188: ok 5278
188: ok 5279
188: ok 5280
188: ok 5281
188: ok 5282
188: ok 5283
188: ok 5284
188: ok 5285
188: ok 5286
188: ok 5287
188: ok 5288
188: ok 5289
188: ok 5290
188: ok 5291
188: ok 5292
188: ok 5293
188: ok 5294
188: ok 5295
188: ok 5296
188: ok 5297
188: ok 5298
188: ok 5299
188: ok 5300
188: ok 5301
188: ok 5302
188: ok 5303
188: ok 5304
188: ok 5305
188: ok 5306
188: ok 5307
188: ok 5308
188: ok 5309
188: ok 5310
188: ok 5311
188: ok 5312
188: ok 5313
188: ok 5314
188: ok 5315
188: ok 5316
188: ok 5317
188: ok 5318
188: ok 5319
188: ok 5320
188: ok 5321
188: ok 5322
188: ok 5323
188: ok 5324
188: ok 5325
188: ok 5326
188: ok 5327
188: ok 5328
188: ok 5329
188: ok 5330
188: ok 5331
188: ok 5332
188: ok 5333
188: ok 5334
188: ok 5335
188: ok 5336
188: ok 5337
188: ok 5338
188: ok 5339
188: ok 5340
188: ok 5341
188: ok 5342
188: ok 5343
188: ok 5344
188: ok 5345
188: ok 5346
188: ok 5347
188: ok 5348
188: ok 5349
188: ok 5350
188: ok 5351
188: ok 5352
188: ok 5353
188: ok 5354
188: ok 5355
188: ok 5356
188: ok 5357
188: ok 5358
188: ok 5359
188: ok 5360
188: ok 5361
188: ok 5362
188: ok 5363
188: ok 5364
188: ok 5365
188: ok 5366
188: ok 5367
188: ok 5368
188: ok 5369
188: ok 5370
188: ok 5371
188: ok 5372
188: ok 5373
188: ok 5374
188: ok 5375
188: ok 5376
188: ok 5377
188: ok 5378
188: ok 5379
188: ok 5380
188: ok 5381
188: ok 5382
188: ok 5383
188: ok 5384
188: ok 5385
188: ok 5386
188: ok 5387
188: ok 5388
188: ok 5389
188: ok 5390
188: ok 5391
188: ok 5392
188: ok 5393
188: ok 5394
188: ok 5395
188: ok 5396
188: ok 5397
188: ok 5398
188: ok 5399
188: ok 5400
188: ok 5401
188: ok 5402
188: ok 5403
188: ok 5404
188: ok 5405
188: ok 5406
188: ok 5407
188: ok 5408
188: ok 5409
188: ok 5410
188: ok 5411
188: ok 5412
188: ok 5413
188: ok 5414
188: ok 5415
188: ok 5416
188: ok 5417
188: ok 5418
188: ok 5419
188: ok 5420
188: ok 5421
188: ok 5422
188: ok 5423
188: ok 5424
188: ok 5425
188: ok 5426
188: ok 5427
188: ok 5428
188: ok 5429
188: ok 5430
188: ok 5431
188: ok 5432
188: ok 5433
188: ok 5434
188: ok 5435
188: ok 5436
188: ok 5437
188: ok 5438
188: ok 5439
188: ok 5440
188: ok 5441
188: ok 5442
188: ok 5443
188: ok 5444
188: ok 5445
188: ok 5446
188: ok 5447
188: ok 5448
188: ok 5449
188: ok 5450
188: ok 5451
188: ok 5452
188: ok 5453
188: ok 5454
188: ok 5455
188: ok 5456
188: ok 5457
188: ok 5458
188: ok 5459
188: ok 5460
188: ok 5461
188: ok 5462
188: ok 5463
188: ok 5464
188: ok 5465
188: ok 5466
188: ok 5467
188: ok 5468
188: ok 5469
188: ok 5470
188: ok 5471
188: ok 5472
188: ok 5473
188: ok 5474
188: ok 5475
188: ok 5476
188: ok 5477
188: ok 5478
188: ok 5479
188: ok 5480
188: ok 5481
188: ok 5482
188: ok 5483
188: ok 5484
188: ok 5485
188: ok 5486
188: ok 5487
188: ok 5488
188: ok 5489
188: ok 5490
188: ok 5491
188: ok 5492
188: ok 5493
188: ok 5494
188: ok 5495
188: ok 5496
188: ok 5497
188: ok 5498
188: ok 5499
188: ok 5500
188: ok 5501
188: ok 5502
188: ok 5503
188: ok 5504
188: ok 5505
188: ok 5506
188: ok 5507
188: ok 5508
188: ok 5509
188: ok 5510
188: ok 5511
188: ok 5512
188: ok 5513
188: ok 5514
188: ok 5515
188: ok 5516
188: ok 5517
188: ok 5518
188: ok 5519
188: ok 5520
188: ok 5521
188: ok 5522
188: ok 5523
188: ok 5524
188: ok 5525
188: ok 5526
188: ok 5527
188: ok 5528
188: ok 5529
188: ok 5530
188: ok 5531
188: ok 5532
188: ok 5533
188: ok 5534
188: ok 5535
188: ok 5536
188: ok 5537
188: ok 5538
188: ok 5539
188: ok 5540
188: ok 5541
188: ok 5542
188: ok 5543
188: ok 5544
188: ok 5545
188: ok 5546
188: ok 5547
188: ok 5548
188: ok 5549
188: ok 5550
188: ok 5551
188: ok 5552
188: ok 5553
188: ok 5554
188: ok 5555
188: ok 5556
188: ok 5557
188: ok 5558
188: ok 5559
188: ok 5560
188: ok 5561
188: ok 5562
188: ok 5563
188: ok 5564
188: ok 5565
188: ok 5566
188: ok 5567
188: ok 5568
188: ok 5569
188: ok 5570
188: ok 5571
188: ok 5572
188: ok 5573
188: ok 5574
188: ok 5575
188: ok 5576
188: ok 5577
188: ok 5578
188: ok 5579
188: ok 5580
188: ok 5581
188: ok 5582
188: ok 5583
188: ok 5584
188: ok 5585
188: ok 5586
188: ok 5587
188: ok 5588
188: ok 5589
188: ok 5590
188: ok 5591
188: ok 5592
188: ok 5593
188: ok 5594
188: ok 5595
188: ok 5596
188: ok 5597
188: ok 5598
188: ok 5599
188: ok 5600
188: ok 5601
188: ok 5602
188: ok 5603
188: ok 5604
188: ok 5605
188: ok 5606
188: ok 5607
188: ok 5608
188: ok 5609
188: ok 5610
188: ok 5611
188: ok 5612
188: ok 5613
188: ok 5614
188: ok 5615
188: ok 5616
188: ok 5617
188: ok 5618
188: ok 5619
188: ok 5620
188: ok 5621
188: ok 5622
188: ok 5623
188: ok 5624
188: ok 5625
188: ok 5626
188: ok 5627
188: ok 5628
188: ok 5629
188: ok 5630
188: ok 5631
188: ok 5632
188: ok 5633
188: ok 5634
188: ok 5635
188: ok 5636
188: ok 5637
188: ok 5638
188: ok 5639
188: ok 5640
188: ok 5641
188: ok 5642
188: ok 5643
188: ok 5644
188: ok 5645
188: ok 5646
188: ok 5647
188: ok 5648
188: ok 5649
188: ok 5650
188: ok 5651
188: ok 5652
188: ok 5653
188: ok 5654
188: ok 5655
188: ok 5656
188: ok 5657
188: ok 5658
188: ok 5659
188: ok 5660
188: ok 5661
188: ok 5662
188: ok 5663
188: ok 5664
188: ok 5665
188: ok 5666
188: ok 5667
188: ok 5668
188: ok 5669
188: ok 5670
188: ok 5671
188: ok 5672
188: ok 5673
188: ok 5674
188: ok 5675
188: ok 5676
188: ok 5677
188: ok 5678
188: ok 5679
188: ok 5680
188: ok 5681
188: ok 5682
188: ok 5683
188: ok 5684
188: ok 5685
188: ok 5686
188: ok 5687
188: ok 5688
188: ok 5689
188: ok 5690
188: ok 5691
188: ok 5692
188: ok 5693
188: ok 5694
188: ok 5695
188: ok 5696
188: ok 5697
188: ok 5698
188: ok 5699
188: ok 5700
188: ok 5701
188: ok 5702
188: ok 5703
188: ok 5704
188: ok 5705
188: ok 5706
188: ok 5707
188: ok 5708
188: ok 5709
188: ok 5710
188: ok 5711
188: ok 5712
188: ok 5713
188: ok 5714
188: ok 5715
188: ok 5716
188: ok 5717
188: ok 5718
188: ok 5719
188: ok 5720
188: ok 5721
188: ok 5722
188: ok 5723
188: ok 5724
188: ok 5725
188: ok 5726
188: ok 5727
188: ok 5728
188: ok 5729
188: ok 5730
188: ok 5731
188: ok 5732
188: ok 5733
188: ok 5734
188: ok 5735
188: ok 5736
188: ok 5737
188: ok 5738
188: ok 5739
188: ok 5740
188: ok 5741
188: ok 5742
188: ok 5743
188: ok 5744
188: ok 5745
188: ok 5746
188: ok 5747
188: ok 5748
188: ok 5749
188: ok 5750
188: ok 5751
188: ok 5752
188: ok 5753
188: ok 5754
188: ok 5755
188: ok 5756
188: ok 5757
188: ok 5758
188: ok 5759
188: ok 5760
188: ok 5761
188: ok 5762
188: ok 5763
188: ok 5764
188: ok 5765
188: ok 5766
188: ok 5767
188: ok 5768
188: ok 5769
188: ok 5770
188: ok 5771
188: ok 5772
188: ok 5773
188: ok 5774
188: ok 5775
188: ok 5776
188: ok 5777
188: ok 5778
188: ok 5779
188: ok 5780
188: ok 5781
188: ok 5782
188: ok 5783
188: ok 5784
188: ok 5785
188: ok 5786
188: ok 5787
188: ok 5788
188: ok 5789
188: ok 5790
188: ok 5791
188: ok 5792
188: ok 5793
188: ok 5794
188: ok 5795
188: ok 5796
188: ok 5797
188: ok 5798
188: ok 5799
188: ok 5800
188: ok 5801
188: ok 5802
188: ok 5803
188: ok 5804
188: ok 5805
188: ok 5806
188: ok 5807
188: ok 5808
188: ok 5809
188: ok 5810
188: ok 5811
188: ok 5812
188: ok 5813
188: ok 5814
188: ok 5815
188: ok 5816
188: ok 5817
188: ok 5818
188: ok 5819
188: ok 5820
188: ok 5821
188: ok 5822
188: ok 5823
188: ok 5824
188: ok 5825
188: ok 5826
188: ok 5827
188: ok 5828
188: ok 5829
188: ok 5830
188: ok 5831
188: ok 5832
188: ok 5833
188: ok 5834
188: ok 5835
188: ok 5836
188: ok 5837
188: ok 5838
188: ok 5839
188: ok 5840
188: ok 5841
188: ok 5842
188: ok 5843
188: ok 5844
188: ok 5845
188: ok 5846
188: ok 5847
188: ok 5848
188: ok 5849
188: ok 5850
188: ok 5851
188: ok 5852
188: ok 5853
188: ok 5854
188: ok 5855
188: ok 5856
188: ok 5857
188: ok 5858
188: ok 5859
188: ok 5860
188: ok 5861
188: ok 5862
188: ok 5863
188: ok 5864
188: ok 5865
188: ok 5866
188: ok 5867
188: ok 5868
188: ok 5869
188: ok 5870
188: ok 5871
188: ok 5872
188: ok 5873
188: ok 5874
188: ok 5875
188: ok 5876
188: ok 5877
188: ok 5878
188: ok 5879
188: ok 5880
188: ok 5881
188: ok 5882
188: ok 5883
188: ok 5884
188: ok 5885
188: ok 5886
188: ok 5887
188: ok 5888
188: ok 5889
188: ok 5890
188: ok 5891
188: ok 5892
188: ok 5893
188: ok 5894
188: ok 5895
188: ok 5896
188: ok 5897
188: ok 5898
188: ok 5899
188: ok 5900
188: ok 5901
188: ok 5902
188: ok 5903
188: ok 5904
188: ok 5905
188: ok 5906
188: ok 5907
188: ok 5908
188: ok 5909
188: ok 5910
188: ok 5911
188: ok 5912
188: ok 5913
188: ok 5914
188: ok 5915
188: ok 5916
188: ok 5917
188: ok 5918
188: ok 5919
188: ok 5920
188: ok 5921
188: ok 5922
188: ok 5923
188: ok 5924
188: ok 5925
188: ok 5926
188: ok 5927
188: ok 5928
188: ok 5929
188: ok 5930
188: ok 5931
188: ok 5932
188: ok 5933
188: ok 5934
188: ok 5935
188: ok 5936
188: ok 5937
188: ok 5938
188: ok 5939
188: ok 5940
188: ok 5941
188: ok 5942
188: ok 5943
188: ok 5944
188: ok 5945
188: ok 5946
188: ok 5947
188: ok 5948
188: ok 5949
188: ok 5950
188: ok 5951
188: ok 5952
188: ok 5953
188: ok 5954
188: ok 5955
188: ok 5956
188: ok 5957
188: ok 5958
188: ok 5959
188: ok 5960
188: ok 5961
188: ok 5962
188: ok 5963
188: ok 5964
188: ok 5965
188: ok 5966
188: ok 5967
188: ok 5968
188: ok 5969
188: ok 5970
188: ok 5971
188: ok 5972
188: ok 5973
188: ok 5974
188: ok 5975
188: ok 5976
188: ok 5977
188: ok 5978
188: ok 5979
188: ok 5980
188: ok 5981
188: ok 5982
188: ok 5983
188: ok 5984
188: ok 5985
188: ok 5986
188: ok 5987
188: ok 5988
188: ok 5989
188: ok 5990
188: ok 5991
188: ok 5992
188: ok 5993
188: ok 5994
188: ok 5995
188: ok 5996
188: ok 5997
188: ok 5998
188: ok 5999
188: ok 6000
188: ok 6001
188: ok 6002
188: ok 6003
188: ok 6004
188: ok 6005
188: ok 6006
188: ok 6007
188: ok 6008
188: ok 6009
188: ok 6010
188: ok 6011
188: ok 6012
188: ok 6013
188: ok 6014
188: ok 6015
188: ok 6016
188: ok 6017
188: ok 6018
188: ok 6019
188: ok 6020
188: ok 6021
188: ok 6022
188: ok 6023
188: ok 6024
188: ok 6025
188: ok 6026
188: ok 6027
188: ok 6028
188: ok 6029
188: ok 6030
188: ok 6031
188: ok 6032
188: ok 6033
188: ok 6034
188: ok 6035
188: ok 6036
188: ok 6037
188: ok 6038
188: ok 6039
188: ok 6040
188: ok 6041
188: ok 6042
188: ok 6043
188: ok 6044
188: ok 6045
188: ok 6046
188: ok 6047
188: ok 6048
188: ok 6049
188: ok 6050
188: ok 6051
188: ok 6052
188: ok 6053
188: ok 6054
188: ok 6055
188: ok 6056
188: ok 6057
188: ok 6058
188: ok 6059
188: ok 6060
188: ok 6061
188: ok 6062
188: ok 6063
188: ok 6064
188: ok 6065
188: ok 6066
188: ok 6067
188: ok 6068
188: ok 6069
188: ok 6070
188: ok 6071
188: ok 6072
188: ok 6073
188: ok 6074
188: ok 6075
188: ok 6076
188: ok 6077
188: ok 6078
188: ok 6079
188: ok 6080
188: ok 6081
188: ok 6082
188: ok 6083
188: ok 6084
188: ok 6085
188: ok 6086
188: ok 6087
188: ok 6088
188: ok 6089
188: ok 6090
188: ok 6091
188: ok 6092
188: ok 6093
188: ok 6094
188: ok 6095
188: ok 6096
188: ok 6097
188: ok 6098
188: ok 6099
188: ok 6100
188: ok 6101
188: ok 6102
188: ok 6103
188: ok 6104
188: ok 6105
188: ok 6106
188: ok 6107
188: ok 6108
188: ok 6109
188: ok 6110
188: ok 6111
188: ok 6112
188: ok 6113
188: ok 6114
188: ok 6115
188: ok 6116
188: ok 6117
188: ok 6118
188: ok 6119
188: ok 6120
188: ok 6121
188: ok 6122
188: ok 6123
188: ok 6124
188: ok 6125
188: ok 6126
188: ok 6127
188: ok 6128
188: ok 6129
188: ok 6130
188: ok 6131
188: ok 6132
188: ok 6133
188: ok 6134
188: ok 6135
188: ok 6136
188: ok 6137
188: ok 6138
188: ok 6139
188: ok 6140
188: ok 6141
188: ok 6142
188: ok 6143
188: ok 6144
188: ok 6145
188: ok 6146
188: ok 6147
188: ok 6148
188: ok 6149
188: ok 6150
188: ok 6151
188: ok 6152
188: ok 6153
188: ok 6154
188: ok 6155
188: ok 6156
188: ok 6157
188: ok 6158
188: ok 6159
188: ok 6160
188: ok 6161
188: ok 6162
188: ok 6163
188: ok 6164
188: ok 6165
188: ok 6166
188: ok 6167
188: ok 6168
188: ok 6169
188: ok 6170
188: ok 6171
188: ok 6172
188: ok 6173
188: ok 6174
188: ok 6175
188: ok 6176
188: ok 6177
188: ok 6178
188: ok 6179
188: ok 6180
188: ok 6181
188: ok 6182
188: ok 6183
188: ok 6184
188: ok 6185
188: ok 6186
188: ok 6187
188: ok 6188
188: ok 6189
188: ok 6190
188: ok 6191
188: ok 6192
188: ok 6193
188: ok 6194
188: ok 6195
188: ok 6196
188: ok 6197
188: ok 6198
188: ok 6199
188: ok 6200
188: ok 6201
188: ok 6202
188: ok 6203
188: ok 6204
188: ok 6205
188: ok 6206
188: ok 6207
188: ok 6208
188: ok 6209
188: ok 6210
188: ok 6211
188: ok 6212
188: ok 6213
188: ok 6214
188: ok 6215
188: ok 6216
188: ok 6217
188: ok 6218
188: ok 6219
188: ok 6220
188: ok 6221
188: ok 6222
188: ok 6223
188: ok 6224
188: ok 6225
188: ok 6226
188: ok 6227
188: ok 6228
188: ok 6229
188: ok 6230
188: ok 6231
188: ok 6232
188: ok 6233
188: ok 6234
188: ok 6235
188: ok 6236
188: ok 6237
188: ok 6238
188: ok 6239
188: ok 6240
188: ok 6241
188: ok 6242
188: ok 6243
188: ok 6244
188: ok 6245
188: ok 6246
188: ok 6247
188: ok 6248
188: ok 6249
188: ok 6250
188: ok 6251
188: ok 6252
188: ok 6253
188: ok 6254
188: ok 6255
188: ok 6256
188: ok 6257
188: ok 6258
188: ok 6259
188: ok 6260
188: ok 6261
188: ok 6262
188: ok 6263
188: ok 6264
188: ok 6265
188: ok 6266
188: ok 6267
188: ok 6268
188: ok 6269
188: ok 6270
188: ok 6271
188: ok 6272
188: ok 6273
188: ok 6274
188: ok 6275
188: ok 6276
188: ok 6277
188: ok 6278
188: ok 6279
188: ok 6280
188: ok 6281
188: ok 6282
188: ok 6283
188: ok 6284
188: ok 6285
188: ok 6286
188: ok 6287
188: ok 6288
188: ok 6289
188: ok 6290
188: ok 6291
188: ok 6292
188: ok 6293
188: ok 6294
188: ok 6295
188: ok 6296
188: ok 6297
188: ok 6298
188: ok 6299
188: ok 6300
188: ok 6301
188: ok 6302
188: ok 6303
188: ok 6304
188: ok 6305
188: ok 6306
188: ok 6307
188: ok 6308
188: ok 6309
188: ok 6310
188: ok 6311
188: ok 6312
188: ok 6313
188: ok 6314
188: ok 6315
188: ok 6316
188: ok 6317
188: ok 6318
188: ok 6319
188: ok 6320
188: ok 6321
188: ok 6322
188: ok 6323
188: ok 6324
188: ok 6325
188: ok 6326
188: ok 6327
188: ok 6328
188: ok 6329
188: ok 6330
188: ok 6331
188: ok 6332
188: ok 6333
188: ok 6334
188: ok 6335
188: ok 6336
188: ok 6337
188: ok 6338
188: ok 6339
188: ok 6340
188: ok 6341
188: ok 6342
188: ok 6343
188: ok 6344
188: ok 6345
188: ok 6346
188: ok 6347
188: ok 6348
188: ok 6349
188: ok 6350
188: ok 6351
188: ok 6352
188: ok 6353
188: ok 6354
188: ok 6355
188: ok 6356
188: ok 6357
188: ok 6358
188: ok 6359
188: ok 6360
188: ok 6361
188: ok 6362
188: ok 6363
188: ok 6364
188: ok 6365
188: ok 6366
188: ok 6367
188: ok 6368
188: ok 6369
188: ok 6370
188: ok 6371
188: ok 6372
188: ok 6373
188: ok 6374
188: ok 6375
188: ok 6376
188: ok 6377
188: ok 6378
188: ok 6379
188: ok 6380
188: ok 6381
188: ok 6382
188: ok 6383
188: ok 6384
188: ok 6385
188: ok 6386
188: ok 6387
188: ok 6388
188: ok 6389
188: ok 6390
188: ok 6391
188: ok 6392
188: ok 6393
188: ok 6394
188: ok 6395
188: ok 6396
188: ok 6397
188: ok 6398
188: ok 6399
188: ok 6400
188: ok 6401
188: ok 6402
188: ok 6403
188: ok 6404
188: ok 6405
188: ok 6406
188: ok 6407
188: ok 6408
188: ok 6409
188: ok 6410
188: ok 6411
188: ok 6412
188: ok 6413
188: ok 6414
188: ok 6415
188: ok 6416
188: ok 6417
188: ok 6418
188: ok 6419
188: ok 6420
188: ok 6421
188: ok 6422
188: ok 6423
188: ok 6424
188: ok 6425
188: ok 6426
188: ok 6427
188: ok 6428
188: ok 6429
188: ok 6430
188: ok 6431
188: ok 6432
188: ok 6433
188: ok 6434
188: ok 6435
188: ok 6436
188: ok 6437
188: ok 6438
188: ok 6439
188: ok 6440
188: ok 6441
188: ok 6442
188: ok 6443
188: ok 6444
188: ok 6445
188: ok 6446
188: ok 6447
188: ok 6448
188: ok 6449
188: ok 6450
188: ok 6451
188: ok 6452
188: ok 6453
188: ok 6454
188: ok 6455
188: ok 6456
188: ok 6457
188: ok 6458
188: ok 6459
188: ok 6460
188: ok 6461
188: ok 6462
188: ok 6463
188: ok 6464
188: ok 6465
188: ok 6466
188: ok 6467
188: ok 6468
188: ok 6469
188: ok 6470
188: ok 6471
188: ok 6472
188: ok 6473
188: ok 6474
188: ok 6475
188: ok 6476
188: ok 6477
188: ok 6478
188: ok 6479
188: ok 6480
188: ok 6481
188: ok 6482
188: ok 6483
188: ok 6484
188: ok 6485
188: ok 6486
188: ok 6487
188: ok 6488
188: ok 6489
188: ok 6490
188: ok 6491
188: ok 6492
188: ok 6493
188: ok 6494
188: ok 6495
188: ok 6496
188: ok 6497
188: ok 6498
188: ok 6499
188: ok 6500
188: ok 6501
188: ok 6502
188: ok 6503
188: ok 6504
188: ok 6505
188: ok 6506
188: ok 6507
188: ok 6508
188: ok 6509
188: ok 6510
188: ok 6511
188: ok 6512
188: ok 6513
188: ok 6514
188: ok 6515
188: ok 6516
188: ok 6517
188: ok 6518
188: ok 6519
188: ok 6520
188: ok 6521
188: ok 6522
188: ok 6523
188: ok 6524
188: ok 6525
188: ok 6526
188: ok 6527
188: ok 6528
188: ok 6529
188: ok 6530
188: ok 6531
188: ok 6532
188: ok 6533
188: ok 6534
188: ok 6535
188: ok 6536
188: ok 6537
188: ok 6538
188: ok 6539
188: ok 6540
188: ok 6541
188: ok 6542
188: ok 6543
188: ok 6544
188: ok 6545
188: ok 6546
188: ok 6547
188: ok 6548
188: ok 6549
188: ok 6550
188: ok 6551
188: ok 6552
188: ok 6553
188: ok 6554
188: ok 6555
188: ok 6556
188: ok 6557
188: ok 6558
188: ok 6559
188: ok 6560
188: ok 6561
188: ok 6562
188: ok 6563
188: ok 6564
188: ok 6565
188: ok 6566
188: ok 6567
188: ok 6568
188: ok 6569
188: ok 6570
188: ok 6571
188: ok 6572
188: ok 6573
188: ok 6574
188: ok 6575
188: ok 6576
188: ok 6577
188: ok 6578
188: ok 6579
188: ok 6580
188: ok 6581
188: ok 6582
188: ok 6583
188: ok 6584
188: ok 6585
188: ok 6586
188: ok 6587
188: ok 6588
188: ok 6589
188: ok 6590
188: ok 6591
188: ok 6592
188: ok 6593
188: ok 6594
188: ok 6595
188: ok 6596
188: ok 6597
188: ok 6598
188: ok 6599
188: ok 6600
188: ok 6601
188: ok 6602
188: ok 6603
188: ok 6604
188: ok 6605
188: ok 6606
188: ok 6607
188: ok 6608
188: ok 6609
188: ok 6610
188: ok 6611
188: ok 6612
188: ok 6613
188: ok 6614
188: ok 6615
188: ok 6616
188: ok 6617
188: ok 6618
188: ok 6619
188: ok 6620
188: ok 6621
188: ok 6622
188: ok 6623
188: ok 6624
188: ok 6625
188: ok 6626
188: ok 6627
188: ok 6628
188: ok 6629
188: ok 6630
188: ok 6631
188: ok 6632
188: ok 6633
188: ok 6634
188: ok 6635
188: ok 6636
188: ok 6637
188: ok 6638
188: ok 6639
188: ok 6640
188: ok 6641
188: ok 6642
188: ok 6643
188: ok 6644
188: ok 6645
188: ok 6646
188: ok 6647
188: ok 6648
188: ok 6649
188: ok 6650
188: ok 6651
188: ok 6652
188: ok 6653
188: ok 6654
188: ok 6655
188: ok 6656
188: ok 6657
188: ok 6658
188: ok 6659
188: ok 6660
188: ok 6661
188: ok 6662
188: ok 6663
188: ok 6664
188: ok 6665
188: ok 6666
188: ok 6667
188: ok 6668
188: ok 6669
188: ok 6670
188: ok 6671
188: ok 6672
188: ok 6673
188: ok 6674
188: ok 6675
188: ok 6676
188: ok 6677
188: ok 6678
188: ok 6679
188: ok 6680
188: ok 6681
188: ok 6682
188: ok 6683
188: ok 6684
188: ok 6685
188: ok 6686
188: ok 6687
188: ok 6688
188: ok 6689
188: ok 6690
188: ok 6691
188: ok 6692
188: ok 6693
188: ok 6694
188: ok 6695
188: ok 6696
188: ok 6697
188: ok 6698
188: ok 6699
188: ok 6700
188: ok 6701
188: ok 6702
188: ok 6703
188: ok 6704
188: ok 6705
188: ok 6706
188: ok 6707
188: ok 6708
188: ok 6709
188: ok 6710
188: ok 6711
188: ok 6712
188: ok 6713
188: ok 6714
188: ok 6715
188: ok 6716
188: ok 6717
188: ok 6718
188: ok 6719
188: ok 6720
188: ok 6721
188: ok 6722
188: ok 6723
188: ok 6724
188: ok 6725
188: ok 6726
188: ok 6727
188: ok 6728
188: ok 6729
188: ok 6730
188: ok 6731
188: ok 6732
188: ok 6733
188: ok 6734
188: ok 6735
188: ok 6736
188: ok 6737
188: ok 6738
188: ok 6739
188: ok 6740
188: ok 6741
188: ok 6742
188: ok 6743
188: ok 6744
188: ok 6745
188: ok 6746
188: ok 6747
188: ok 6748
188: ok 6749
188: ok 6750
188: ok 6751
188: ok 6752
188: ok 6753
188: ok 6754
188: ok 6755
188: ok 6756
188: ok 6757
188: ok 6758
188: ok 6759
188: ok 6760
188: ok 6761
188: ok 6762
188: ok 6763
188: ok 6764
188: ok 6765
188: ok 6766
188: ok 6767
188: ok 6768
188: ok 6769
188: ok 6770
188: ok 6771
188: ok 6772
188: ok 6773
188: ok 6774
188: ok 6775
188: ok 6776
188: ok 6777
188: ok 6778
188: ok 6779
188: ok 6780
188: ok 6781
188: ok 6782
188: ok 6783
188: ok 6784
188: ok 6785
188: ok 6786
188: ok 6787
188: ok 6788
188: ok 6789
188: ok 6790
188: ok 6791
188: ok 6792
188: ok 6793
188: ok 6794
188: ok 6795
188: ok 6796
188: ok 6797
188: ok 6798
188: ok 6799
188: ok 6800
188: ok 6801
188: ok 6802
188: ok 6803
188: ok 6804
188: ok 6805
188: ok 6806
188: ok 6807
188: ok 6808
188: ok 6809
188: ok 6810
188: ok 6811
188: ok 6812
188: ok 6813
188: ok 6814
188: ok 6815
188: ok 6816
188: ok 6817
188: ok 6818
188: ok 6819
188: ok 6820
188: ok 6821
188: ok 6822
188: ok 6823
188: ok 6824
188: ok 6825
188: ok 6826
188: ok 6827
188: ok 6828
188: ok 6829
188: ok 6830
188: ok 6831
188: ok 6832
188: ok 6833
188: ok 6834
188: ok 6835
188: ok 6836
188: ok 6837
188: ok 6838
188: ok 6839
188: ok 6840
188: ok 6841
188: ok 6842
188: ok 6843
188: ok 6844
188: ok 6845
188: ok 6846
188: ok 6847
188: ok 6848
188: ok 6849
188: ok 6850
188: ok 6851
188: ok 6852
188: ok 6853
188: ok 6854
188: ok 6855
188: ok 6856
188: ok 6857
188: ok 6858
188: ok 6859
188: ok 6860
188: ok 6861
188: ok 6862
188: ok 6863
188: ok 6864
188: ok 6865
188: ok 6866
188: ok 6867
188: ok 6868
188: ok 6869
188: ok 6870
188: ok 6871
188: ok 6872
188: ok 6873
188: ok 6874
188: ok 6875
188: ok 6876
188: ok 6877
188: ok 6878
188: ok 6879
188: ok 6880
188: ok 6881
188: ok 6882
188: ok 6883
188: ok 6884
188: ok 6885
188: ok 6886
188: ok 6887
188: ok 6888
188: ok 6889
188: ok 6890
188: ok 6891
188: ok 6892
188: ok 6893
188: ok 6894
188: ok 6895
188: ok 6896
188: ok 6897
188: ok 6898
188: ok 6899
188: ok 6900
188: ok 6901
188: ok 6902
188: ok 6903
188: ok 6904
188: ok 6905
188: ok 6906
188: ok 6907
188: ok 6908
188: ok 6909
188: ok 6910
188: ok 6911
188: ok 6912
188: ok 6913
188: ok 6914
188: ok 6915
188: ok 6916
188: ok 6917
188: ok 6918
188: ok 6919
188: ok 6920
188: ok 6921
188: ok 6922
188: ok 6923
188: ok 6924
188: ok 6925
188: ok 6926
188: ok 6927
188: ok 6928
188: ok 6929
188: ok 6930
188: ok 6931
188: ok 6932
188: ok 6933
188: ok 6934
188: ok 6935
188: ok 6936
188: ok 6937
188: ok 6938
188: ok 6939
188: ok 6940
188: ok 6941
188: ok 6942
188: ok 6943
188: ok 6944
188: ok 6945
188: ok 6946
188: ok 6947
188: ok 6948
188: ok 6949
188: ok 6950
188: ok 6951
188: ok 6952
188: ok 6953
188: ok 6954
188: ok 6955
188: ok 6956
188: ok 6957
188: ok 6958
188: ok 6959
188: ok 6960
188: ok 6961
188: ok 6962
188: ok 6963
188: ok 6964
188: ok 6965
188: ok 6966
188: ok 6967
188: ok 6968
188: ok 6969
188: ok 6970
188: ok 6971
188: ok 6972
188: ok 6973
188: ok 6974
188: ok 6975
188: ok 6976
188: ok 6977
188: ok 6978
188: ok 6979
188: ok 6980
188: ok 6981
188: ok 6982
188: ok 6983
188: ok 6984
188: ok 6985
188: ok 6986
188: ok 6987
188: ok 6988
188: ok 6989
188: ok 6990
188: ok 6991
188: ok 6992
188: ok 6993
188: ok 6994
188: ok 6995
188: ok 6996
188: ok 6997
188: ok 6998
188: ok 6999
188: ok 7000
188: ok 7001
188: ok 7002
188: ok 7003
188: ok 7004
188: ok 7005
188: ok 7006
188: ok 7007
188: ok 7008
188: ok 7009
188: ok 7010
188: ok 7011
188: ok 7012
188: ok 7013
188: ok 7014
188: ok 7015
188: ok 7016
188: ok 7017
188: ok 7018
188: ok 7019
188: ok 7020
188: ok 7021
188: ok 7022
188: ok 7023
188: ok 7024
188: ok 7025
188: ok 7026
188: ok 7027
188: ok 7028
188: ok 7029
188: ok 7030
188: ok 7031
188: ok 7032
188: ok 7033
188: ok 7034
188: ok 7035
188: ok 7036
188: ok 7037
188: ok 7038
188: ok 7039
188: ok 7040
188: ok 7041
188: ok 7042
188: ok 7043
188: ok 7044
188: ok 7045
188: ok 7046
188: ok 7047
188: ok 7048
188: ok 7049
188: ok 7050
188: ok 7051
188: ok 7052
188: ok 7053
188: ok 7054
188: ok 7055
188: ok 7056
188: ok 7057
188: ok 7058
188: ok 7059
188: ok 7060
188: ok 7061
188: ok 7062
188: ok 7063
188: ok 7064
188: ok 7065
188: ok 7066
188: ok 7067
188: ok 7068
188: ok 7069
188: ok 7070
188: ok 7071
188: ok 7072
188: ok 7073
188: ok 7074
188: ok 7075
188: ok 7076
188: ok 7077
188: ok 7078
188: ok 7079
188: ok 7080
188: ok 7081
188: ok 7082
188: ok 7083
188: ok 7084
188: ok 7085
188: ok 7086
188: ok 7087
188: ok 7088
188: ok 7089
188: ok 7090
188: ok 7091
188: ok 7092
188: ok 7093
188: ok 7094
188: ok 7095
188: ok 7096
188: ok 7097
188: ok 7098
188: ok 7099
188: ok 7100
188: ok 7101
188: ok 7102
188: ok 7103
188: ok 7104
188: ok 7105
188: ok 7106
188: ok 7107
188: ok 7108
188: ok 7109
188: ok 7110
188: ok 7111
188: ok 7112
188: ok 7113
188: ok 7114
188: ok 7115
188: ok 7116
188: ok 7117
188: ok 7118
188: ok 7119
188: ok 7120
188: ok 7121
188: ok 7122
188: ok 7123
188: ok 7124
188: ok 7125
188: ok 7126
188: ok 7127
188: ok 7128
188: ok 7129
188: ok 7130
188: ok 7131
188: ok 7132
188: ok 7133
188: ok 7134
188: ok 7135
188: ok 7136
188: ok 7137
188: ok 7138
188: ok 7139
188: ok 7140
188: ok 7141
188: ok 7142
188: ok 7143
188: ok 7144
188: ok 7145
188: ok 7146
188: ok 7147
188: ok 7148
188: ok 7149
188: ok 7150
188: ok 7151
188: ok 7152
188: ok 7153
188: ok 7154
188: ok 7155
188: ok 7156
188: ok 7157
188: ok 7158
188: ok 7159
188: ok 7160
188: ok 7161
188: ok 7162
188: ok 7163
188: ok 7164
188: ok 7165
188: ok 7166
188: ok 7167
188: ok 7168
188: ok 7169
188: ok 7170
188: ok 7171
188: ok 7172
188: ok 7173
188: ok 7174
188: ok 7175
188: ok 7176
188: ok 7177
188: ok 7178
188: ok 7179
188: ok 7180
188: ok 7181
188: ok 7182
188: ok 7183
188: ok 7184
188: ok 7185
188: ok 7186
188: ok 7187
188: ok 7188
188: ok 7189
188: ok 7190
188: ok 7191
188: ok 7192
188: ok 7193
188: ok 7194
188: ok 7195
188: ok 7196
188: ok 7197
188: ok 7198
188: ok 7199
188: ok 7200
188: ok 7201
188: ok 7202
188: ok 7203
188: ok 7204
188: ok 7205
188: ok 7206
188: ok 7207
188: ok 7208
188: ok 7209
188: ok 7210
188: ok 7211
188: ok 7212
188: ok 7213
188: ok 7214
188: ok 7215
188: ok 7216
188: ok 7217
188: ok 7218
188: ok 7219
188: ok 7220
188: ok 7221
188: ok 7222
188: ok 7223
188: ok 7224
188: ok 7225
188: ok 7226
188: ok 7227
188: ok 7228
188: ok 7229
188: ok 7230
188: ok 7231
188: ok 7232
188: ok 7233
188: ok 7234
188: ok 7235
188: ok 7236
188: ok 7237
188: ok 7238
188: ok 7239
188: ok 7240
188: ok 7241
188: ok 7242
188: ok 7243
188: ok 7244
188: ok 7245
188: ok 7246
188: ok 7247
188: ok 7248
188: ok 7249
188: ok 7250
188: ok 7251
188: ok 7252
188: ok 7253
188: ok 7254
188: ok 7255
188: ok 7256
188: ok 7257
188: ok 7258
188: ok 7259
188: ok 7260
188: ok 7261
188: ok 7262
188: ok 7263
188: ok 7264
188: ok 7265
188: ok 7266
188: ok 7267
188: ok 7268
188: ok 7269
188: ok 7270
188: ok 7271
188: ok 7272
188: ok 7273
188: ok 7274
188: ok 7275
188: ok 7276
188: ok 7277
188: ok 7278
188: ok 7279
188: ok 7280
188: ok 7281
188: ok 7282
188: ok 7283
188: ok 7284
188: ok 7285
188: ok 7286
188: ok 7287
188: ok 7288
188: ok 7289
188: ok 7290
188: ok 7291
188: ok 7292
188: ok 7293
188: ok 7294
188: ok 7295
188: ok 7296
188: ok 7297
188: ok 7298
188: ok 7299
188: ok 7300
188: ok 7301
188: ok 7302
188: ok 7303
188: ok 7304
188: ok 7305
188: ok 7306
188: ok 7307
188: ok 7308
188: ok 7309
188: ok 7310
188: ok 7311
188: ok 7312
188: ok 7313
188: ok 7314
188: ok 7315
188: ok 7316
188: ok 7317
188: ok 7318
188: ok 7319
188: ok 7320
188: ok 7321
188: ok 7322
188: ok 7323
188: ok 7324
188: ok 7325
188: ok 7326
188: ok 7327
188: ok 7328
188: ok 7329
188: ok 7330
188: ok 7331
188: ok 7332
188: ok 7333
188: ok 7334
188: ok 7335
188: ok 7336
188: ok 7337
188: ok 7338
188: ok 7339
188: ok 7340
188: ok 7341
188: ok 7342
188: ok 7343
188: ok 7344
188: ok 7345
188: ok 7346
188: ok 7347
188: ok 7348
188: ok 7349
188: ok 7350
188: ok 7351
188: ok 7352
188: ok 7353
188: ok 7354
188: ok 7355
188: ok 7356
188: ok 7357
188: ok 7358
188: ok 7359
188: ok 7360
188: ok 7361
188: ok 7362
188: ok 7363
188: ok 7364
188: ok 7365
188: ok 7366
188: ok 7367
188: ok 7368
188: ok 7369
188: ok 7370
188: ok 7371
188: ok 7372
188: ok 7373
188: ok 7374
188: ok 7375
188: ok 7376
188: ok 7377
188: ok 7378
188: ok 7379
188: ok 7380
188: ok 7381
188: ok 7382
188: ok 7383
188: ok 7384
188: ok 7385
188: ok 7386
188: ok 7387
188: ok 7388
188: ok 7389
188: ok 7390
188: ok 7391
188: ok 7392
188: ok 7393
188: ok 7394
188: ok 7395
188: ok 7396
188: ok 7397
188: ok 7398
188: ok 7399
188: ok 7400
188: ok 7401
188: ok 7402
188: ok 7403
188: ok 7404
188: ok 7405
188: ok 7406
188: ok 7407
188: ok 7408
188: ok 7409
188: ok 7410
188: ok 7411
188: ok 7412
188: ok 7413
188: ok 7414
188: ok 7415
188: ok 7416
188: ok 7417
188: ok 7418
188: ok 7419
188: ok 7420
188: ok 7421
188: ok 7422
188: ok 7423
188: ok 7424
188: ok 7425
188: ok 7426
188: ok 7427
188: ok 7428
188: ok 7429
188: ok 7430
188: ok 7431
188: ok 7432
188: ok 7433
188: ok 7434
188: ok 7435
188: ok 7436
188: ok 7437
188: ok 7438
188: ok 7439
188: ok 7440
188: ok 7441
188: ok 7442
188: ok 7443
188: ok 7444
188: ok 7445
188: ok 7446
188: ok 7447
188: ok 7448
188: ok 7449
188: ok 7450
188: ok 7451
188: ok 7452
188: ok 7453
188: ok 7454
188: ok 7455
188: ok 7456
188: ok 7457
188: ok 7458
188: ok 7459
188: ok 7460
188: ok 7461
188: ok 7462
188: ok 7463
188: ok 7464
188: ok 7465
188: ok 7466
188: ok 7467
188: ok 7468
188: ok 7469
188: ok 7470
188: ok 7471
188: ok 7472
188: ok 7473
188: ok 7474
188: ok 7475
188: ok 7476
188: ok 7477
188: ok 7478
188: ok 7479
188: ok 7480
188: ok 7481
188: ok 7482
188: ok 7483
188: ok 7484
188: ok 7485
188: ok 7486
188: ok 7487
188: ok 7488
188: ok 7489
188: ok 7490
188: ok 7491
188: ok 7492
188: ok 7493
188: ok 7494
188: ok 7495
188: ok 7496
188: ok 7497
188: ok 7498
188: ok 7499
188: ok 7500
188: ok 7501
188: ok 7502
188: ok 7503
188: ok 7504
188: ok 7505
188: ok 7506
188: ok 7507
188: ok 7508
188: ok 7509
188: ok 7510
188: ok 7511
188: ok 7512
188: ok 7513
188: ok 7514
188: ok 7515
188: ok 7516
188: ok 7517
188: ok 7518
188: ok 7519
188: ok 7520
188: ok 7521
188: ok 7522
188: ok 7523
188: ok 7524
188: ok 7525
188: ok 7526
188: ok 7527
188: ok 7528
188: ok 7529
188: ok 7530
188: ok 7531
188: ok 7532
188: ok 7533
188: ok 7534
188: ok 7535
188: ok 7536
188: ok 7537
188: ok 7538
188: ok 7539
188: ok 7540
188: ok 7541
188: ok 7542
188: ok 7543
188: ok 7544
188: ok 7545
188: ok 7546
188: ok 7547
188: ok 7548
188: ok 7549
188: ok 7550
188: ok 7551
188: ok 7552
188: ok 7553
188: ok 7554
188: ok 7555
188: ok 7556
188: ok 7557
188: ok 7558
188: ok 7559
188: ok 7560
188: ok 7561
188: ok 7562
188: ok 7563
188: ok 7564
188: ok 7565
188: ok 7566
188: ok 7567
188: ok 7568
188: ok 7569
188: ok 7570
188: ok 7571
188: ok 7572
188: ok 7573
188: ok 7574
188: ok 7575
188: ok 7576
188: ok 7577
188: ok 7578
188: ok 7579
188: ok 7580
188: ok 7581
188: ok 7582
188: ok 7583
188: ok 7584
188: ok 7585
188: ok 7586
188: ok 7587
188: ok 7588
188: ok 7589
188: ok 7590
188: ok 7591
188: ok 7592
188: ok 7593
188: ok 7594
188: ok 7595
188: ok 7596
188: ok 7597
188: ok 7598
188: ok 7599
188: ok 7600
188: ok 7601
188: ok 7602
188: ok 7603
188: ok 7604
188: ok 7605
188: ok 7606
188: ok 7607
188: ok 7608
188: ok 7609
188: ok 7610
188: ok 7611
188: ok 7612
188: ok 7613
188: ok 7614
188: ok 7615
188: ok 7616
188: ok 7617
188: ok 7618
188: ok 7619
188: ok 7620
188: ok 7621
188: ok 7622
188: ok 7623
188: ok 7624
188: ok 7625
188: ok 7626
188: ok 7627
188: ok 7628
188: ok 7629
188: ok 7630
188: ok 7631
188: ok 7632
188: ok 7633
188: ok 7634
188: ok 7635
188: ok 7636
188: ok 7637
188: ok 7638
188: ok 7639
188: ok 7640
188: ok 7641
188: ok 7642
188: ok 7643
188: ok 7644
188: ok 7645
188: ok 7646
188: ok 7647
188: ok 7648
188: ok 7649
188: ok 7650
188: ok 7651
188: ok 7652
188: ok 7653
188: ok 7654
188: ok 7655
188: ok 7656
188: ok 7657
188: ok 7658
188: ok 7659
188: ok 7660
188: ok 7661
188: ok 7662
188: ok 7663
188: ok 7664
188: ok 7665
188: ok 7666
188: ok 7667
188: ok 7668
188: ok 7669
188: ok 7670
188: ok 7671
188: ok 7672
188: ok 7673
188: ok 7674
188: ok 7675
188: ok 7676
188: ok 7677
188: ok 7678
188: ok 7679
188: ok 7680
188: ok 7681
188: ok 7682
188: ok 7683
188: ok 7684
188: ok 7685
188: ok 7686
188: ok 7687
188: ok 7688
188: ok 7689
188: ok 7690
188: ok 7691
188: ok 7692
188: ok 7693
188: ok 7694
188: ok 7695
188: ok 7696
188: ok 7697
188: ok 7698
188: ok 7699
188: ok 7700
188: ok 7701
188: ok 7702
188: ok 7703
188: ok 7704
188: ok 7705
188: ok 7706
188: ok 7707
188: ok 7708
188: ok 7709
188: ok 7710
188: ok 7711
188: ok 7712
188: ok 7713
188: ok 7714
188: ok 7715
188: ok 7716
188: ok 7717
188: ok 7718
188: ok 7719
188: ok 7720
188: ok 7721
188: ok 7722
188: ok 7723
188: ok 7724
188: ok 7725
188: ok 7726
188: ok 7727
188: ok 7728
188: ok 7729
188: ok 7730
188: ok 7731
188: ok 7732
188: ok 7733
188: ok 7734
188: ok 7735
188: ok 7736
188: ok 7737
188: ok 7738
188: ok 7739
188: ok 7740
188: ok 7741
188: ok 7742
188: ok 7743
188: ok 7744
188: ok 7745
188: ok 7746
188: ok 7747
188: ok 7748
188: ok 7749
188: ok 7750
188: ok 7751
188: ok 7752
188: ok 7753
188: ok 7754
188: ok 7755
188: ok 7756
188: ok 7757
188: ok 7758
188: ok 7759
188: ok 7760
188: ok 7761
188: ok 7762
188: ok 7763
188: ok 7764
188: ok 7765
188: ok 7766
188: ok 7767
188: ok 7768
188: ok 7769
188: ok 7770
188: ok 7771
188: ok 7772
188: ok 7773
188: ok 7774
188: ok 7775
188: ok 7776
188: ok 7777
188: ok 7778
188: ok 7779
188: ok 7780
188: ok 7781
188: ok 7782
188: ok 7783
188: ok 7784
188: ok 7785
188: ok 7786
188: ok 7787
188: ok 7788
188: ok 7789
188: ok 7790
188: ok 7791
188: ok 7792
188: ok 7793
188: ok 7794
188: ok 7795
188: ok 7796
188: ok 7797
188: ok 7798
188: ok 7799
188: ok 7800
188: ok 7801
188: ok 7802
188: ok 7803
188: ok 7804
188: ok 7805
188: ok 7806
188: ok 7807
188: ok 7808
188: ok 7809
188: ok 7810
188: ok 7811
188: ok 7812
188: ok 7813
188: ok 7814
188: ok 7815
188: ok 7816
188: ok 7817
188: ok 7818
189: # math: repeating each test 1000 times
189: # Testing MMFF94 Force Field...
189: # math: entering testArithmeticOperators
189: ok 1
189: ok 2
189: ok 3
189: ok 4
189: ok 5
189: ok 6
189: ok 7
189: ok 8
189: ok 9
189: ok 10
189: ok 11
189: ok 12
189: ok 13
189: ok 14
189: ok 15
189: ok 16
189: ok 17
189: ok 18
189: ok 19
189: ok 20
189: ok 21
189: ok 22
189: ok 23
189: ok 24
189: ok 25
189: ok 26
189: ok 27
189: ok 28
189: ok 29
189: ok 30
189: ok 31
189: ok 32
189: ok 33
189: ok 34
189: ok 35
189: ok 36
189: ok 37
189: ok 38
189: ok 39
189: ok 40
189: ok 41
189: ok 42
189: ok 43
189: ok 44
189: ok 45
189: ok 46
189: ok 47
189: ok 48
189: ok 49
189: ok 50
189: ok 51
189: ok 52
189: ok 53
189: ok 54
189: ok 55
189: ok 56
189: ok 57
189: ok 58
189: ok 59
189: ok 60
189: ok 61
189: ok 62
189: ok 63
189: ok 64
189: ok 65
189: ok 66
189: ok 67
189: ok 68
189: ok 69
189: ok 70
189: ok 71
189: ok 72
189: ok 73
189: ok 74
189: ok 75
189: ok 76
189: ok 77
189: ok 78
189: ok 79
189: ok 80
189: ok 81
189: ok 82
189: ok 83
189: ok 84
189: ok 85
189: ok 86
189: ok 87
189: ok 88
189: ok 89
189: ok 90
189: ok 91
189: ok 92
189: ok 93
189: ok 94
189: ok 95
189: ok 96
189: ok 97
189: ok 98
189: ok 99
189: ok 100
189: ok 101
189: ok 102
189: ok 103
189: ok 104
189: ok 105
189: ok 106
189: ok 107
189: ok 108
189: ok 109
189: ok 110
189: ok 111
189: ok 112
189: ok 113
189: ok 114
189: ok 115
189: ok 116
189: ok 117
189: ok 118
189: ok 119
189: ok 120
189: ok 121
189: ok 122
189: ok 123
189: ok 124
189: ok 125
189: ok 126
189: ok 127
189: ok 128
189: ok 129
189: ok 130
189: ok 131
189: ok 132
189: ok 133
189: ok 134
189: ok 135
189: ok 136
189: ok 137
189: ok 138
189: ok 139
189: ok 140
189: ok 141
189: ok 142
189: ok 143
189: ok 144
189: ok 145
189: ok 146
189: ok 147
189: ok 148
189: ok 149
189: ok 150
189: ok 151
189: ok 152
189: ok 153
189: ok 154
189: ok 155
189: ok 156
189: ok 157
189: ok 158
189: ok 159
189: ok 160
189: ok 161
189: ok 162
189: ok 163
189: ok 164
189: ok 165
189: ok 166
189: ok 167
189: ok 168
189: ok 169
189: ok 170
189: ok 171
189: ok 172
189: ok 173
189: ok 174
189: ok 175
189: ok 176
189: ok 177
189: ok 178
189: ok 179
189: ok 180
189: ok 181
189: ok 182
189: ok 183
189: ok 184
189: ok 185
189: ok 186
189: ok 187
189: ok 188
189: ok 189
189: ok 190
189: ok 191
189: ok 192
189: ok 193
189: ok 194
189: ok 195
189: ok 196
189: ok 197
189: ok 198
189: ok 199
189: ok 200
189: ok 201
189: ok 202
189: ok 203
189: ok 204
189: ok 205
189: ok 206
189: ok 207
189: ok 208
189: ok 209
189: ok 210
189: ok 211
189: ok 212
189: ok 213
189: ok 214
189: ok 215
189: ok 216
189: ok 217
189: ok 218
189: ok 219
189: ok 220
189: ok 221
189: ok 222
189: ok 223
189: ok 224
189: ok 225
189: ok 226
189: ok 227
189: ok 228
189: ok 229
189: ok 230
189: ok 231
189: ok 232
189: ok 233
189: ok 234
189: ok 235
189: ok 236
189: ok 237
189: ok 238
189: ok 239
189: ok 240
189: ok 241
189: ok 242
189: ok 243
189: ok 244
189: ok 245
189: ok 246
189: ok 247
189: ok 248
189: ok 249
189: ok 250
189: ok 251
189: ok 252
189: ok 253
189: ok 254
189: ok 255
189: ok 256
189: ok 257
189: ok 258
189: ok 259
189: ok 260
189: ok 261
189: ok 262
189: ok 263
189: ok 264
189: ok 265
189: ok 266
189: ok 267
189: ok 268
189: ok 269
189: ok 270
189: ok 271
189: ok 272
189: ok 273
189: ok 274
189: ok 275
189: ok 276
189: ok 277
189: ok 278
189: ok 279
189: ok 280
189: ok 281
189: ok 282
189: ok 283
189: ok 284
189: ok 285
189: ok 286
189: ok 287
189: ok 288
189: ok 289
189: ok 290
189: ok 291
189: ok 292
189: ok 293
189: ok 294
189: ok 295
189: ok 296
189: ok 297
189: ok 298
189: ok 299
189: ok 300
189: ok 301
189: ok 302
189: ok 303
189: ok 304
189: ok 305
189: ok 306
189: ok 307
189: ok 308
189: ok 309
189: ok 310
189: ok 311
189: ok 312
189: ok 313
189: ok 314
189: ok 315
189: ok 316
189: ok 317
189: ok 318
189: ok 319
189: ok 320
189: ok 321
189: ok 322
189: ok 323
189: ok 324
189: ok 325
189: ok 326
189: ok 327
189: ok 328
189: ok 329
189: ok 330
189: ok 331
189: ok 332
189: ok 333
189: ok 334
189: ok 335
189: ok 336
189: ok 337
189: ok 338
189: ok 339
189: ok 340
189: ok 341
189: ok 342
189: ok 343
189: ok 344
189: ok 345
189: ok 346
189: ok 347
189: ok 348
189: ok 349
189: ok 350
189: ok 351
189: ok 352
189: ok 353
189: ok 354
189: ok 355
189: ok 356
189: ok 357
189: ok 358
189: ok 359
189: ok 360
189: ok 361
189: ok 362
189: ok 363
189: ok 364
189: ok 365
189: ok 366
189: ok 367
189: ok 368
189: ok 369
189: ok 370
189: ok 371
189: ok 372
189: ok 373
189: ok 374
189: ok 375
189: ok 376
189: ok 377
189: ok 378
189: ok 379
189: ok 380
189: ok 381
189: ok 382
189: ok 383
189: ok 384
189: ok 385
189: ok 386
189: ok 387
189: ok 388
189: ok 389
189: ok 390
189: ok 391
189: ok 392
189: ok 393
189: ok 394
189: ok 395
189: ok 396
189: ok 397
189: ok 398
189: ok 399
189: ok 400
189: ok 401
189: ok 402
189: ok 403
189: ok 404
189: ok 405
189: ok 406
189: ok 407
189: ok 408
189: ok 409
189: ok 410
189: ok 411
189: ok 412
189: ok 413
189: ok 414
189: ok 415
189: ok 416
189: ok 417
189: ok 418
189: ok 419
189: ok 420
189: ok 421
189: ok 422
189: ok 423
189: ok 424
189: ok 425
189: ok 426
189: ok 427
189: ok 428
189: ok 429
189: ok 430
189: ok 431
189: ok 432
189: ok 433
189: ok 434
189: ok 435
189: ok 436
189: ok 437
189: ok 438
189: ok 439
189: ok 440
189: ok 441
189: ok 442
189: ok 443
189: ok 444
189: ok 445
189: ok 446
189: ok 447
189: ok 448
189: ok 449
189: ok 450
189: ok 451
189: ok 452
189: ok 453
189: ok 454
189: ok 455
189: ok 456
189: ok 457
189: ok 458
189: ok 459
189: ok 460
189: ok 461
189: ok 462
189: ok 463
189: ok 464
189: ok 465
189: ok 466
189: ok 467
189: ok 468
189: ok 469
189: ok 470
189: ok 471
189: ok 472
189: ok 473
189: ok 474
189: ok 475
189: ok 476
189: ok 477
189: ok 478
189: ok 479
189: ok 480
189: ok 481
189: ok 482
189: ok 483
189: ok 484
189: ok 485
189: ok 486
189: ok 487
189: ok 488
189: ok 489
189: ok 490
189: ok 491
189: ok 492
189: ok 493
189: ok 494
189: ok 495
189: ok 496
189: ok 497
189: ok 498
189: ok 499
189: ok 500
189: ok 501
189: ok 502
189: ok 503
189: ok 504
189: ok 505
189: ok 506
189: ok 507
189: ok 508
189: ok 509
189: ok 510
189: ok 511
189: ok 512
189: ok 513
189: ok 514
189: ok 515
189: ok 516
189: ok 517
189: ok 518
189: ok 519
189: ok 520
189: ok 521
189: ok 522
189: ok 523
189: ok 524
189: ok 525
189: ok 526
189: ok 527
189: ok 528
189: ok 529
189: ok 530
189: ok 531
189: ok 532
189: ok 533
189: ok 534
189: ok 535
189: ok 536
189: ok 537
189: ok 538
189: ok 539
189: ok 540
189: ok 541
189: ok 542
189: ok 543
189: ok 544
189: ok 545
189: ok 546
189: ok 547
189: ok 548
189: ok 549
189: ok 550
189: ok 551
189: ok 552
189: ok 553
189: ok 554
189: ok 555
189: ok 556
189: ok 557
189: ok 558
189: ok 559
189: ok 560
189: ok 561
189: ok 562
189: ok 563
189: ok 564
189: ok 565
189: ok 566
189: ok 567
189: ok 568
189: ok 569
189: ok 570
189: ok 571
189: ok 572
189: ok 573
189: ok 574
189: ok 575
189: ok 576
189: ok 577
189: ok 578
189: ok 579
189: ok 580
189: ok 581
189: ok 582
189: ok 583
189: ok 584
189: ok 585
189: ok 586
189: ok 587
189: ok 588
189: ok 589
189: ok 590
189: ok 591
189: ok 592
189: ok 593
189: ok 594
189: ok 595
189: ok 596
189: ok 597
189: ok 598
189: ok 599
189: ok 600
189: ok 601
189: ok 602
189: ok 603
189: ok 604
189: ok 605
189: ok 606
189: ok 607
189: ok 608
189: ok 609
189: ok 610
189: ok 611
189: ok 612
189: ok 613
189: ok 614
189: ok 615
189: ok 616
189: ok 617
189: ok 618
189: ok 619
189: ok 620
189: ok 621
189: ok 622
189: ok 623
189: ok 624
189: ok 625
189: ok 626
189: ok 627
189: ok 628
189: ok 629
189: ok 630
189: ok 631
189: ok 632
189: ok 633
189: ok 634
189: ok 635
189: ok 636
189: ok 637
189: ok 638
189: ok 639
189: ok 640
189: ok 641
189: ok 642
189: ok 643
189: ok 644
189: ok 645
189: ok 646
189: ok 647
189: ok 648
189: ok 649
189: ok 650
189: ok 651
189: ok 652
189: ok 653
189: ok 654
189: ok 655
189: ok 656
189: ok 657
189: ok 658
189: ok 659
189: ok 660
189: ok 661
189: ok 662
189: ok 663
189: ok 664
189: ok 665
189: ok 666
189: ok 667
189: ok 668
189: ok 669
189: ok 670
189: ok 671
189: ok 672
189: ok 673
189: ok 674
189: ok 675
189: ok 676
189: ok 677
189: ok 678
189: ok 679
189: ok 680
189: ok 681
189: ok 682
189: ok 683
189: ok 684
189: ok 685
189: ok 686
189: ok 687
189: ok 688
189: ok 689
189: ok 690
189: ok 691
189: ok 692
189: ok 693
189: ok 694
189: ok 695
189: ok 696
189: ok 697
189: ok 698
189: ok 699
189: ok 700
189: ok 701
189: ok 702
189: ok 703
189: ok 704
189: ok 705
189: ok 706
189: ok 707
189: ok 708
189: ok 709
189: ok 710
189: ok 711
189: ok 712
189: ok 713
189: ok 714
189: ok 715
189: ok 716
189: ok 717
189: ok 718
189: ok 719
189: ok 720
189: ok 721
189: ok 722
189: ok 723
189: ok 724
189: ok 725
189: ok 726
189: ok 727
189: ok 728
189: ok 729
189: ok 730
189: ok 731
189: ok 732
189: ok 733
189: ok 734
189: ok 735
189: ok 736
189: ok 737
189: ok 738
189: ok 739
189: ok 740
189: ok 741
189: ok 742
189: ok 743
189: ok 744
189: ok 745
189: ok 746
189: ok 747
189: ok 748
189: ok 749
189: ok 750
189: ok 751
189: ok 752
189: ok 753
189: ok 754
189: ok 755
189: ok 756
189: ok 757
189: ok 758
189: ok 759
189: ok 760
189: ok 761
189: ok 762
189: ok 763
189: ok 764
189: ok 765
189: ok 766
189: ok 767
189: ok 768
189: ok 769
189: ok 770
189: ok 771
189: ok 772
189: ok 773
189: ok 774
189: ok 775
189: ok 776
189: ok 777
189: ok 778
189: ok 779
189: ok 780
189: ok 781
189: ok 782
189: ok 783
189: ok 784
189: ok 785
189: ok 786
189: ok 787
189: ok 788
189: ok 789
189: ok 790
189: ok 791
189: ok 792
189: ok 793
189: ok 794
189: ok 795
189: ok 796
189: ok 797
189: ok 798
189: ok 799
189: ok 800
189: ok 801
189: ok 802
189: ok 803
189: ok 804
189: ok 805
189: ok 806
189: ok 807
189: ok 808
189: ok 809
189: ok 810
189: ok 811
189: ok 812
189: ok 813
189: ok 814
189: ok 815
189: ok 816
189: ok 817
189: ok 818
189: ok 819
189: ok 820
189: ok 821
189: ok 822
189: ok 823
189: ok 824
189: ok 825
189: ok 826
189: ok 827
189: ok 828
189: ok 829
189: ok 830
189: ok 831
189: ok 832
189: ok 833
189: ok 834
189: ok 835
189: ok 836
189: ok 837
189: ok 838
189: ok 839
189: ok 840
189: ok 841
189: ok 842
189: ok 843
189: ok 844
189: ok 845
189: ok 846
189: ok 847
189: ok 848
189: ok 849
189: ok 850
189: ok 851
189: ok 852
189: ok 853
189: ok 854
189: ok 855
189: ok 856
189: ok 857
189: ok 858
189: ok 859
189: ok 860
189: ok 861
189: ok 862
189: ok 863
189: ok 864
189: ok 865
189: ok 866
189: ok 867
189: ok 868
189: ok 869
189: ok 870
189: ok 871
189: ok 872
189: ok 873
189: ok 874
189: ok 875
189: ok 876
189: ok 877
189: ok 878
189: ok 879
189: ok 880
189: ok 881
189: ok 882
189: ok 883
189: ok 884
189: ok 885
189: ok 886
189: ok 887
189: ok 888
189: ok 889
189: ok 890
189: ok 891
189: ok 892
189: ok 893
189: ok 894
189: ok 895
189: ok 896
189: ok 897
189: ok 898
189: ok 899
189: ok 900
189: ok 901
189: ok 902
189: ok 903
189: ok 904
189: ok 905
189: ok 906
189: ok 907
189: ok 908
189: ok 909
189: ok 910
189: ok 911
189: ok 912
189: ok 913
189: ok 914
189: ok 915
189: ok 916
189: ok 917
189: ok 918
189: ok 919
189: ok 920
189: ok 921
189: ok 922
189: ok 923
189: ok 924
189: ok 925
189: ok 926
189: ok 927
189: ok 928
189: ok 929
189: ok 930
189: ok 931
189: ok 932
189: ok 933
189: ok 934
189: ok 935
189: ok 936
189: ok 937
189: ok 938
189: ok 939
189: ok 940
189: ok 941
189: ok 942
189: ok 943
189: ok 944
189: ok 945
189: ok 946
189: ok 947
189: ok 948
189: ok 949
189: ok 950
189: ok 951
189: ok 952
189: ok 953
189: ok 954
189: ok 955
189: ok 956
189: ok 957
189: ok 958
189: ok 959
189: ok 960
189: ok 961
189: ok 962
189: ok 963
189: ok 964
189: ok 965
189: ok 966
189: ok 967
189: ok 968
189: ok 969
189: ok 970
189: ok 971
189: ok 972
189: ok 973
189: ok 974
189: ok 975
189: ok 976
189: ok 977
189: ok 978
189: ok 979
189: ok 980
189: ok 981
189: ok 982
189: ok 983
189: ok 984
189: ok 985
189: ok 986
189: ok 987
189: ok 988
189: ok 989
189: ok 990
189: ok 991
189: ok 992
189: ok 993
189: ok 994
189: ok 995
189: ok 996
189: ok 997
189: ok 998
189: ok 999
189: ok 1000
189: ok 1001
189: ok 1002
189: ok 1003
189: ok 1004
189: ok 1005
189: ok 1006
189: ok 1007
189: ok 1008
189: ok 1009
189: ok 1010
189: ok 1011
189: ok 1012
189: ok 1013
189: ok 1014
189: ok 1015
189: ok 1016
189: ok 1017
189: ok 1018
189: ok 1019
189: ok 1020
189: ok 1021
189: ok 1022
189: ok 1023
189: ok 1024
189: ok 1025
189: ok 1026
189: ok 1027
189: ok 1028
189: ok 1029
189: ok 1030
189: ok 1031
189: ok 1032
189: ok 1033
189: ok 1034
189: ok 1035
189: ok 1036
189: ok 1037
189: ok 1038
189: ok 1039
189: ok 1040
189: ok 1041
189: ok 1042
189: ok 1043
189: ok 1044
189: ok 1045
189: ok 1046
189: ok 1047
189: ok 1048
189: ok 1049
189: ok 1050
189: ok 1051
189: ok 1052
189: ok 1053
189: ok 1054
189: ok 1055
189: ok 1056
189: ok 1057
189: ok 1058
189: ok 1059
189: ok 1060
189: ok 1061
189: ok 1062
189: ok 1063
189: ok 1064
189: ok 1065
189: ok 1066
189: ok 1067
189: ok 1068
189: ok 1069
189: ok 1070
189: ok 1071
189: ok 1072
189: ok 1073
189: ok 1074
189: ok 1075
189: ok 1076
189: ok 1077
189: ok 1078
189: ok 1079
189: ok 1080
189: ok 1081
189: ok 1082
189: ok 1083
189: ok 1084
189: ok 1085
189: ok 1086
189: ok 1087
189: ok 1088
189: ok 1089
189: ok 1090
189: ok 1091
189: ok 1092
189: ok 1093
189: ok 1094
189: ok 1095
189: ok 1096
189: ok 1097
189: ok 1098
189: ok 1099
189: ok 1100
189: ok 1101
189: ok 1102
189: ok 1103
189: ok 1104
189: ok 1105
189: ok 1106
189: ok 1107
189: ok 1108
189: ok 1109
189: ok 1110
189: ok 1111
189: ok 1112
189: ok 1113
189: ok 1114
189: ok 1115
189: ok 1116
189: ok 1117
189: ok 1118
189: ok 1119
189: ok 1120
189: ok 1121
189: ok 1122
189: ok 1123
189: ok 1124
189: ok 1125
189: ok 1126
189: ok 1127
189: ok 1128
189: ok 1129
189: ok 1130
189: ok 1131
189: ok 1132
189: ok 1133
189: ok 1134
189: ok 1135
189: ok 1136
189: ok 1137
189: ok 1138
189: ok 1139
189: ok 1140
189: ok 1141
189: ok 1142
189: ok 1143
189: ok 1144
189: ok 1145
189: ok 1146
189: ok 1147
189: ok 1148
189: ok 1149
189: ok 1150
189: ok 1151
189: ok 1152
189: ok 1153
189: ok 1154
189: ok 1155
189: ok 1156
189: ok 1157
189: ok 1158
189: ok 1159
189: ok 1160
189: ok 1161
189: ok 1162
189: ok 1163
189: ok 1164
189: ok 1165
189: ok 1166
189: ok 1167
189: ok 1168
189: ok 1169
189: ok 1170
189: ok 1171
189: ok 1172
189: ok 1173
189: ok 1174
189: ok 1175
189: ok 1176
189: ok 1177
189: ok 1178
189: ok 1179
189: ok 1180
189: ok 1181
189: ok 1182
189: ok 1183
189: ok 1184
189: ok 1185
189: ok 1186
189: ok 1187
189: ok 1188
189: ok 1189
189: ok 1190
189: ok 1191
189: ok 1192
189: ok 1193
189: ok 1194
189: ok 1195
189: ok 1196
189: ok 1197
189: ok 1198
189: ok 1199
189: ok 1200
189: ok 1201
189: ok 1202
189: ok 1203
189: ok 1204
189: ok 1205
189: ok 1206
189: ok 1207
189: ok 1208
189: ok 1209
189: ok 1210
189: ok 1211
189: ok 1212
189: ok 1213
189: ok 1214
189: ok 1215
189: ok 1216
189: ok 1217
189: ok 1218
189: ok 1219
189: ok 1220
189: ok 1221
189: ok 1222
189: ok 1223
189: ok 1224
189: ok 1225
189: ok 1226
189: ok 1227
189: ok 1228
189: ok 1229
189: ok 1230
189: ok 1231
189: ok 1232
189: ok 1233
189: ok 1234
189: ok 1235
189: ok 1236
189: ok 1237
189: ok 1238
189: ok 1239
189: ok 1240
189: ok 1241
189: ok 1242
189: ok 1243
189: ok 1244
189: ok 1245
189: ok 1246
189: ok 1247
189: ok 1248
189: ok 1249
189: ok 1250
189: ok 1251
189: ok 1252
189: ok 1253
189: ok 1254
189: ok 1255
189: ok 1256
189: ok 1257
189: ok 1258
189: ok 1259
189: ok 1260
189: ok 1261
189: ok 1262
189: ok 1263
189: ok 1264
189: ok 1265
189: ok 1266
189: ok 1267
189: ok 1268
189: ok 1269
189: ok 1270
189: ok 1271
189: ok 1272
189: ok 1273
189: ok 1274
189: ok 1275
189: ok 1276
189: ok 1277
189: ok 1278
189: ok 1279
189: ok 1280
189: ok 1281
189: ok 1282
189: ok 1283
189: ok 1284
189: ok 1285
189: ok 1286
189: ok 1287
189: ok 1288
189: ok 1289
189: ok 1290
189: ok 1291
189: ok 1292
189: ok 1293
189: ok 1294
189: ok 1295
189: ok 1296
189: ok 1297
189: ok 1298
189: ok 1299
189: ok 1300
189: ok 1301
189: ok 1302
189: ok 1303
189: ok 1304
189: ok 1305
189: ok 1306
189: ok 1307
189: ok 1308
189: ok 1309
189: ok 1310
189: ok 1311
189: ok 1312
189: ok 1313
189: ok 1314
189: ok 1315
189: ok 1316
189: ok 1317
189: ok 1318
189: ok 1319
189: ok 1320
189: ok 1321
189: ok 1322
189: ok 1323
189: ok 1324
189: ok 1325
189: ok 1326
189: ok 1327
189: ok 1328
189: ok 1329
189: ok 1330
189: ok 1331
189: ok 1332
189: ok 1333
189: ok 1334
189: ok 1335
189: ok 1336
189: ok 1337
189: ok 1338
189: ok 1339
189: ok 1340
189: ok 1341
189: ok 1342
189: ok 1343
189: ok 1344
189: ok 1345
189: ok 1346
189: ok 1347
189: ok 1348
189: ok 1349
189: ok 1350
189: ok 1351
189: ok 1352
189: ok 1353
189: ok 1354
189: ok 1355
189: ok 1356
189: ok 1357
189: ok 1358
189: ok 1359
189: ok 1360
189: ok 1361
189: ok 1362
189: ok 1363
189: ok 1364
189: ok 1365
189: ok 1366
189: ok 1367
189: ok 1368
189: ok 1369
189: ok 1370
189: ok 1371
189: ok 1372
189: ok 1373
189: ok 1374
189: ok 1375
189: ok 1376
189: ok 1377
189: ok 1378
189: ok 1379
189: ok 1380
189: ok 1381
189: ok 1382
189: ok 1383
189: ok 1384
189: ok 1385
189: ok 1386
189: ok 1387
189: ok 1388
189: ok 1389
189: ok 1390
189: ok 1391
189: ok 1392
189: ok 1393
189: ok 1394
189: ok 1395
189: ok 1396
189: ok 1397
189: ok 1398
189: ok 1399
189: ok 1400
189: ok 1401
189: ok 1402
189: ok 1403
189: ok 1404
189: ok 1405
189: ok 1406
189: ok 1407
189: ok 1408
189: ok 1409
189: ok 1410
189: ok 1411
189: ok 1412
189: ok 1413
189: ok 1414
189: ok 1415
189: ok 1416
189: ok 1417
189: ok 1418
189: ok 1419
189: ok 1420
189: ok 1421
189: ok 1422
189: ok 1423
189: ok 1424
189: ok 1425
189: ok 1426
189: ok 1427
189: ok 1428
189: ok 1429
189: ok 1430
189: ok 1431
189: ok 1432
189: ok 1433
189: ok 1434
189: ok 1435
189: ok 1436
189: ok 1437
189: ok 1438
189: ok 1439
189: ok 1440
189: ok 1441
189: ok 1442
189: ok 1443
189: ok 1444
189: ok 1445
189: ok 1446
189: ok 1447
189: ok 1448
189: ok 1449
189: ok 1450
189: ok 1451
189: ok 1452
189: ok 1453
189: ok 1454
189: ok 1455
189: ok 1456
189: ok 1457
189: ok 1458
189: ok 1459
189: ok 1460
189: ok 1461
189: ok 1462
189: ok 1463
189: ok 1464
189: ok 1465
189: ok 1466
189: ok 1467
189: ok 1468
189: ok 1469
189: ok 1470
189: ok 1471
189: ok 1472
189: ok 1473
189: ok 1474
189: ok 1475
189: ok 1476
189: ok 1477
189: ok 1478
189: ok 1479
189: ok 1480
189: ok 1481
189: ok 1482
189: ok 1483
189: ok 1484
189: ok 1485
189: ok 1486
189: ok 1487
189: ok 1488
189: ok 1489
189: ok 1490
189: ok 1491
189: ok 1492
189: ok 1493
189: ok 1494
189: ok 1495
189: ok 1496
189: ok 1497
189: ok 1498
189: ok 1499
189: ok 1500
189: ok 1501
189: ok 1502
189: ok 1503
189: ok 1504
189: ok 1505
189: ok 1506
189: ok 1507
189: ok 1508
189: ok 1509
189: ok 1510
189: ok 1511
189: ok 1512
189: ok 1513
189: ok 1514
189: ok 1515
189: ok 1516
189: ok 1517
189: ok 1518
189: ok 1519
189: ok 1520
189: ok 1521
189: ok 1522
189: ok 1523
189: ok 1524
189: ok 1525
189: ok 1526
189: ok 1527
189: ok 1528
189: ok 1529
189: ok 1530
189: ok 1531
189: ok 1532
189: ok 1533
189: ok 1534
189: ok 1535
189: ok 1536
189: ok 1537
189: ok 1538
189: ok 1539
189: ok 1540
189: ok 1541
189: ok 1542
189: ok 1543
189: ok 1544
189: ok 1545
189: ok 1546
189: ok 1547
189: ok 1548
189: ok 1549
189: ok 1550
189: ok 1551
189: ok 1552
189: ok 1553
189: ok 1554
189: ok 1555
189: ok 1556
189: ok 1557
189: ok 1558
189: ok 1559
189: ok 1560
189: ok 1561
189: ok 1562
189: ok 1563
189: ok 1564
189: ok 1565
189: ok 1566
189: ok 1567
189: ok 1568
189: ok 1569
189: ok 1570
189: ok 1571
189: ok 1572
189: ok 1573
189: ok 1574
189: ok 1575
189: ok 1576
189: ok 1577
189: ok 1578
189: ok 1579
189: ok 1580
189: ok 1581
189: ok 1582
189: ok 1583
189: ok 1584
189: ok 1585
189: ok 1586
189: ok 1587
189: ok 1588
189: ok 1589
189: ok 1590
189: ok 1591
189: ok 1592
189: ok 1593
189: ok 1594
189: ok 1595
189: ok 1596
189: ok 1597
189: ok 1598
189: ok 1599
189: ok 1600
189: ok 1601
189: ok 1602
189: ok 1603
189: ok 1604
189: ok 1605
189: ok 1606
189: ok 1607
189: ok 1608
189: ok 1609
189: ok 1610
189: ok 1611
189: ok 1612
189: ok 1613
189: ok 1614
189: ok 1615
189: ok 1616
189: ok 1617
189: ok 1618
189: ok 1619
189: ok 1620
189: ok 1621
189: ok 1622
189: ok 1623
189: ok 1624
189: ok 1625
189: ok 1626
189: ok 1627
189: ok 1628
189: ok 1629
189: ok 1630
189: ok 1631
189: ok 1632
189: ok 1633
189: ok 1634
189: ok 1635
189: ok 1636
189: ok 1637
189: ok 1638
189: ok 1639
189: ok 1640
189: ok 1641
189: ok 1642
189: ok 1643
189: ok 1644
189: ok 1645
189: ok 1646
189: ok 1647
189: ok 1648
189: ok 1649
189: ok 1650
189: ok 1651
189: ok 1652
189: ok 1653
189: ok 1654
189: ok 1655
189: ok 1656
189: ok 1657
189: ok 1658
189: ok 1659
189: ok 1660
189: ok 1661
189: ok 1662
189: ok 1663
189: ok 1664
189: ok 1665
189: ok 1666
189: ok 1667
189: ok 1668
189: ok 1669
189: ok 1670
189: ok 1671
189: ok 1672
189: ok 1673
189: ok 1674
189: ok 1675
189: ok 1676
189: ok 1677
189: ok 1678
189: ok 1679
189: ok 1680
189: ok 1681
189: ok 1682
189: ok 1683
189: ok 1684
189: ok 1685
189: ok 1686
189: ok 1687
189: ok 1688
189: ok 1689
189: ok 1690
189: ok 1691
189: ok 1692
189: ok 1693
189: ok 1694
189: ok 1695
189: ok 1696
189: ok 1697
189: ok 1698
189: ok 1699
189: ok 1700
189: ok 1701
189: ok 1702
189: ok 1703
189: ok 1704
189: ok 1705
189: ok 1706
189: ok 1707
189: ok 1708
189: ok 1709
189: ok 1710
189: ok 1711
189: ok 1712
189: ok 1713
189: ok 1714
189: ok 1715
189: ok 1716
189: ok 1717
189: ok 1718
189: ok 1719
189: ok 1720
189: ok 1721
189: ok 1722
189: ok 1723
189: ok 1724
189: ok 1725
189: ok 1726
189: ok 1727
189: ok 1728
189: ok 1729
189: ok 1730
189: ok 1731
189: ok 1732
189: ok 1733
189: ok 1734
189: ok 1735
189: ok 1736
189: ok 1737
189: ok 1738
189: ok 1739
189: ok 1740
189: ok 1741
189: ok 1742
189: ok 1743
189: ok 1744
189: ok 1745
189: ok 1746
189: ok 1747
189: ok 1748
189: ok 1749
189: ok 1750
189: ok 1751
189: ok 1752
189: ok 1753
189: ok 1754
189: ok 1755
189: ok 1756
189: ok 1757
189: ok 1758
189: ok 1759
189: ok 1760
189: ok 1761
189: ok 1762
189: ok 1763
189: ok 1764
189: ok 1765
189: ok 1766
189: ok 1767
189: ok 1768
189: ok 1769
189: ok 1770
189: ok 1771
189: ok 1772
189: ok 1773
189: ok 1774
189: ok 1775
189: ok 1776
189: ok 1777
189: ok 1778
189: ok 1779
189: ok 1780
189: ok 1781
189: ok 1782
189: ok 1783
189: ok 1784
189: ok 1785
189: ok 1786
189: ok 1787
189: ok 1788
189: ok 1789
189: ok 1790
189: ok 1791
189: ok 1792
189: ok 1793
189: ok 1794
189: ok 1795
189: ok 1796
189: ok 1797
189: ok 1798
189: ok 1799
189: ok 1800
189: ok 1801
189: ok 1802
189: ok 1803
189: ok 1804
189: ok 1805
189: ok 1806
189: ok 1807
189: ok 1808
189: ok 1809
189: ok 1810
189: ok 1811
189: ok 1812
189: ok 1813
189: ok 1814
189: ok 1815
189: ok 1816
189: ok 1817
189: ok 1818
189: ok 1819
189: ok 1820
189: ok 1821
189: ok 1822
189: ok 1823
189: ok 1824
189: ok 1825
189: ok 1826
189: ok 1827
189: ok 1828
189: ok 1829
189: ok 1830
189: ok 1831
189: ok 1832
189: ok 1833
189: ok 1834
189: ok 1835
189: ok 1836
189: ok 1837
189: ok 1838
189: ok 1839
189: ok 1840
189: ok 1841
189: ok 1842
189: ok 1843
189: ok 1844
189: ok 1845
189: ok 1846
189: ok 1847
189: ok 1848
189: ok 1849
189: ok 1850
189: ok 1851
189: ok 1852
189: ok 1853
189: ok 1854
189: ok 1855
189: ok 1856
189: ok 1857
189: ok 1858
189: ok 1859
189: ok 1860
189: ok 1861
189: ok 1862
189: ok 1863
189: ok 1864
189: ok 1865
189: ok 1866
189: ok 1867
189: ok 1868
189: ok 1869
189: ok 1870
189: ok 1871
189: ok 1872
189: ok 1873
189: ok 1874
189: ok 1875
189: ok 1876
189: ok 1877
189: ok 1878
189: ok 1879
189: ok 1880
189: ok 1881
189: ok 1882
189: ok 1883
189: ok 1884
189: ok 1885
189: ok 1886
189: ok 1887
189: ok 1888
189: ok 1889
189: ok 1890
189: ok 1891
189: ok 1892
189: ok 1893
189: ok 1894
189: ok 1895
189: ok 1896
189: ok 1897
189: ok 1898
189: ok 1899
189: ok 1900
189: ok 1901
189: ok 1902
189: ok 1903
189: ok 1904
189: ok 1905
189: ok 1906
189: ok 1907
189: ok 1908
189: ok 1909
189: ok 1910
189: ok 1911
189: ok 1912
189: ok 1913
189: ok 1914
189: ok 1915
189: ok 1916
189: ok 1917
189: ok 1918
189: ok 1919
189: ok 1920
189: ok 1921
189: ok 1922
189: ok 1923
189: ok 1924
189: ok 1925
189: ok 1926
189: ok 1927
189: ok 1928
189: ok 1929
189: ok 1930
189: ok 1931
189: ok 1932
189: ok 1933
189: ok 1934
189: ok 1935
189: ok 1936
189: ok 1937
189: ok 1938
189: ok 1939
189: ok 1940
189: ok 1941
189: ok 1942
189: ok 1943
189: ok 1944
189: ok 1945
189: ok 1946
189: ok 1947
189: ok 1948
189: ok 1949
189: ok 1950
189: ok 1951
189: ok 1952
189: ok 1953
189: ok 1954
189: ok 1955
189: ok 1956
189: ok 1957
189: ok 1958
189: ok 1959
189: ok 1960
189: ok 1961
189: ok 1962
189: ok 1963
189: ok 1964
189: ok 1965
189: ok 1966
189: ok 1967
189: ok 1968
189: ok 1969
189: ok 1970
189: ok 1971
189: ok 1972
189: ok 1973
189: ok 1974
189: ok 1975
189: ok 1976
189: ok 1977
189: ok 1978
189: ok 1979
189: ok 1980
189: ok 1981
189: ok 1982
189: ok 1983
189: ok 1984
189: ok 1985
189: ok 1986
189: ok 1987
189: ok 1988
189: ok 1989
189: ok 1990
189: ok 1991
189: ok 1992
189: ok 1993
189: ok 1994
189: ok 1995
189: ok 1996
189: ok 1997
189: ok 1998
189: ok 1999
189: ok 2000
189: ok 2001
189: ok 2002
189: ok 2003
189: ok 2004
189: ok 2005
189: ok 2006
189: ok 2007
189: ok 2008
189: ok 2009
189: ok 2010
189: ok 2011
189: ok 2012
189: ok 2013
189: ok 2014
189: ok 2015
189: ok 2016
189: ok 2017
189: ok 2018
189: ok 2019
189: ok 2020
189: ok 2021
189: ok 2022
189: ok 2023
189: ok 2024
189: ok 2025
189: ok 2026
189: ok 2027
189: ok 2028
189: ok 2029
189: ok 2030
189: ok 2031
189: ok 2032
189: ok 2033
189: ok 2034
189: ok 2035
189: ok 2036
189: ok 2037
189: ok 2038
189: ok 2039
189: ok 2040
189: ok 2041
189: ok 2042
189: ok 2043
189: ok 2044
189: ok 2045
189: ok 2046
189: ok 2047
189: ok 2048
189: ok 2049
189: ok 2050
189: ok 2051
189: ok 2052
189: ok 2053
189: ok 2054
189: ok 2055
189: ok 2056
189: ok 2057
189: ok 2058
189: ok 2059
189: ok 2060
189: ok 2061
189: ok 2062
189: ok 2063
189: ok 2064
189: ok 2065
189: ok 2066
189: ok 2067
189: ok 2068
189: ok 2069
189: ok 2070
189: ok 2071
189: ok 2072
189: ok 2073
189: ok 2074
189: ok 2075
189: ok 2076
189: ok 2077
189: ok 2078
189: ok 2079
189: ok 2080
189: ok 2081
189: ok 2082
189: ok 2083
189: ok 2084
189: ok 2085
189: ok 2086
189: ok 2087
189: ok 2088
189: ok 2089
189: ok 2090
189: ok 2091
189: ok 2092
189: ok 2093
189: ok 2094
189: ok 2095
189: ok 2096
189: ok 2097
189: ok 2098
189: ok 2099
189: ok 2100
189: ok 2101
189: ok 2102
189: ok 2103
189: ok 2104
189: ok 2105
189: ok 2106
189: ok 2107
189: ok 2108
189: ok 2109
189: ok 2110
189: ok 2111
189: ok 2112
189: ok 2113
189: ok 2114
189: ok 2115
189: ok 2116
189: ok 2117
189: ok 2118
189: ok 2119
189: ok 2120
189: ok 2121
189: ok 2122
189: ok 2123
189: ok 2124
189: ok 2125
189: ok 2126
189: ok 2127
189: ok 2128
189: ok 2129
189: ok 2130
189: ok 2131
189: ok 2132
189: ok 2133
189: ok 2134
189: ok 2135
189: ok 2136
189: ok 2137
189: ok 2138
189: ok 2139
189: ok 2140
189: ok 2141
189: ok 2142
189: ok 2143
189: ok 2144
189: ok 2145
189: ok 2146
189: ok 2147
189: ok 2148
189: ok 2149
189: ok 2150
189: ok 2151
189: ok 2152
189: ok 2153
189: ok 2154
189: ok 2155
189: ok 2156
189: ok 2157
189: ok 2158
189: ok 2159
189: ok 2160
189: ok 2161
189: ok 2162
189: ok 2163
189: ok 2164
189: ok 2165
189: ok 2166
189: ok 2167
189: ok 2168
189: ok 2169
189: ok 2170
189: ok 2171
189: ok 2172
189: ok 2173
189: ok 2174
189: ok 2175
189: ok 2176
189: ok 2177
189: ok 2178
189: ok 2179
189: ok 2180
189: ok 2181
189: ok 2182
189: ok 2183
189: ok 2184
189: ok 2185
189: ok 2186
189: ok 2187
189: ok 2188
189: ok 2189
189: ok 2190
189: ok 2191
189: ok 2192
189: ok 2193
189: ok 2194
189: ok 2195
189: ok 2196
189: ok 2197
189: ok 2198
189: ok 2199
189: ok 2200
189: ok 2201
189: ok 2202
189: ok 2203
189: ok 2204
189: ok 2205
189: ok 2206
189: ok 2207
189: ok 2208
189: ok 2209
189: ok 2210
189: ok 2211
189: ok 2212
189: ok 2213
189: ok 2214
189: ok 2215
189: ok 2216
189: ok 2217
189: ok 2218
189: ok 2219
189: ok 2220
189: ok 2221
189: ok 2222
189: ok 2223
189: ok 2224
189: ok 2225
189: ok 2226
189: ok 2227
189: ok 2228
189: ok 2229
189: ok 2230
189: ok 2231
189: ok 2232
189: ok 2233
189: ok 2234
189: ok 2235
189: ok 2236
189: ok 2237
189: ok 2238
189: ok 2239
189: ok 2240
189: ok 2241
189: ok 2242
189: ok 2243
189: ok 2244
189: ok 2245
189: ok 2246
189: ok 2247
189: ok 2248
189: ok 2249
189: ok 2250
189: ok 2251
189: ok 2252
189: ok 2253
189: ok 2254
189: ok 2255
189: ok 2256
189: ok 2257
189: ok 2258
189: ok 2259
189: ok 2260
189: ok 2261
189: ok 2262
189: ok 2263
189: ok 2264
189: ok 2265
189: ok 2266
189: ok 2267
189: ok 2268
189: ok 2269
189: ok 2270
189: ok 2271
189: ok 2272
189: ok 2273
189: ok 2274
189: ok 2275
189: ok 2276
189: ok 2277
189: ok 2278
189: ok 2279
189: ok 2280
189: ok 2281
189: ok 2282
189: ok 2283
189: ok 2284
189: ok 2285
189: ok 2286
189: ok 2287
189: ok 2288
189: ok 2289
189: ok 2290
189: ok 2291
189: ok 2292
189: ok 2293
189: ok 2294
189: ok 2295
189: ok 2296
189: ok 2297
189: ok 2298
189: ok 2299
189: ok 2300
189: ok 2301
189: ok 2302
189: ok 2303
189: ok 2304
189: ok 2305
189: ok 2306
189: ok 2307
189: ok 2308
189: ok 2309
189: ok 2310
189: ok 2311
189: ok 2312
189: ok 2313
189: ok 2314
189: ok 2315
189: ok 2316
189: ok 2317
189: ok 2318
189: ok 2319
189: ok 2320
189: ok 2321
189: ok 2322
189: ok 2323
189: ok 2324
189: ok 2325
189: ok 2326
189: ok 2327
189: ok 2328
189: ok 2329
189: ok 2330
189: ok 2331
189: ok 2332
189: ok 2333
189: ok 2334
189: ok 2335
189: ok 2336
189: ok 2337
189: ok 2338
189: ok 2339
189: ok 2340
189: ok 2341
189: ok 2342
189: ok 2343
189: ok 2344
189: ok 2345
189: ok 2346
189: ok 2347
189: ok 2348
189: ok 2349
189: ok 2350
189: ok 2351
189: ok 2352
189: ok 2353
189: ok 2354
189: ok 2355
189: ok 2356
189: ok 2357
189: ok 2358
189: ok 2359
189: ok 2360
189: ok 2361
189: ok 2362
189: ok 2363
189: ok 2364
189: ok 2365
189: ok 2366
189: ok 2367
189: ok 2368
189: ok 2369
189: ok 2370
189: ok 2371
189: ok 2372
189: ok 2373
189: ok 2374
189: ok 2375
189: ok 2376
189: ok 2377
189: ok 2378
189: ok 2379
189: ok 2380
189: ok 2381
189: ok 2382
189: ok 2383
189: ok 2384
189: ok 2385
189: ok 2386
189: ok 2387
189: ok 2388
189: ok 2389
189: ok 2390
189: ok 2391
189: ok 2392
189: ok 2393
189: ok 2394
189: ok 2395
189: ok 2396
189: ok 2397
189: ok 2398
189: ok 2399
189: ok 2400
189: ok 2401
189: ok 2402
189: ok 2403
189: ok 2404
189: ok 2405
189: ok 2406
189: ok 2407
189: ok 2408
189: ok 2409
189: ok 2410
189: ok 2411
189: ok 2412
189: ok 2413
189: ok 2414
189: ok 2415
189: ok 2416
189: ok 2417
189: ok 2418
189: ok 2419
189: ok 2420
189: ok 2421
189: ok 2422
189: ok 2423
189: ok 2424
189: ok 2425
189: ok 2426
189: ok 2427
189: ok 2428
189: ok 2429
189: ok 2430
189: ok 2431
189: ok 2432
189: ok 2433
189: ok 2434
189: ok 2435
189: ok 2436
189: ok 2437
189: ok 2438
189: ok 2439
189: ok 2440
189: ok 2441
189: ok 2442
189: ok 2443
189: ok 2444
189: ok 2445
189: ok 2446
189: ok 2447
189: ok 2448
189: ok 2449
189: ok 2450
189: ok 2451
189: ok 2452
189: ok 2453
189: ok 2454
189: ok 2455
189: ok 2456
189: ok 2457
189: ok 2458
189: ok 2459
189: ok 2460
189: ok 2461
189: ok 2462
189: ok 2463
189: ok 2464
189: ok 2465
189: ok 2466
189: ok 2467
189: ok 2468
189: ok 2469
189: ok 2470
189: ok 2471
189: ok 2472
189: ok 2473
189: ok 2474
189: ok 2475
189: ok 2476
189: ok 2477
189: ok 2478
189: ok 2479
189: ok 2480
189: ok 2481
189: ok 2482
189: ok 2483
189: ok 2484
189: ok 2485
189: ok 2486
189: ok 2487
189: ok 2488
189: ok 2489
189: ok 2490
189: ok 2491
189: ok 2492
189: ok 2493
189: ok 2494
189: ok 2495
189: ok 2496
189: ok 2497
189: ok 2498
189: ok 2499
189: ok 2500
189: ok 2501
189: ok 2502
189: ok 2503
189: ok 2504
189: ok 2505
189: ok 2506
189: ok 2507
189: ok 2508
189: ok 2509
189: ok 2510
189: ok 2511
189: ok 2512
189: ok 2513
189: ok 2514
189: ok 2515
189: ok 2516
189: ok 2517
189: ok 2518
189: ok 2519
189: ok 2520
189: ok 2521
189: ok 2522
189: ok 2523
189: ok 2524
189: ok 2525
189: ok 2526
189: ok 2527
189: ok 2528
189: ok 2529
189: ok 2530
189: ok 2531
189: ok 2532
189: ok 2533
189: ok 2534
189: ok 2535
189: ok 2536
189: ok 2537
189: ok 2538
189: ok 2539
189: ok 2540
189: ok 2541
189: ok 2542
189: ok 2543
189: ok 2544
189: ok 2545
189: ok 2546
189: ok 2547
189: ok 2548
189: ok 2549
189: ok 2550
189: ok 2551
189: ok 2552
189: ok 2553
189: ok 2554
189: ok 2555
189: ok 2556
189: ok 2557
189: ok 2558
189: ok 2559
189: ok 2560
189: ok 2561
189: ok 2562
189: ok 2563
189: ok 2564
189: ok 2565
189: ok 2566
189: ok 2567
189: ok 2568
189: ok 2569
189: ok 2570
189: ok 2571
189: ok 2572
189: ok 2573
189: ok 2574
189: ok 2575
189: ok 2576
189: ok 2577
189: ok 2578
189: ok 2579
189: ok 2580
189: ok 2581
189: ok 2582
189: ok 2583
189: ok 2584
189: ok 2585
189: ok 2586
189: ok 2587
189: ok 2588
189: ok 2589
189: ok 2590
189: ok 2591
189: ok 2592
189: ok 2593
189: ok 2594
189: ok 2595
189: ok 2596
189: ok 2597
189: ok 2598
189: ok 2599
189: ok 2600
189: ok 2601
189: ok 2602
189: ok 2603
189: ok 2604
189: ok 2605
189: ok 2606
189: ok 2607
189: ok 2608
189: ok 2609
189: ok 2610
189: ok 2611
189: ok 2612
189: ok 2613
189: ok 2614
189: ok 2615
189: ok 2616
189: ok 2617
189: ok 2618
189: ok 2619
189: ok 2620
189: ok 2621
189: ok 2622
189: ok 2623
189: ok 2624
189: ok 2625
189: ok 2626
189: ok 2627
189: ok 2628
189: ok 2629
189: ok 2630
189: ok 2631
189: ok 2632
189: ok 2633
189: ok 2634
189: ok 2635
189: ok 2636
189: ok 2637
189: ok 2638
189: ok 2639
189: ok 2640
189: ok 2641
189: ok 2642
189: ok 2643
189: ok 2644
189: ok 2645
189: ok 2646
189: ok 2647
189: ok 2648
189: ok 2649
189: ok 2650
189: ok 2651
189: ok 2652
189: ok 2653
189: ok 2654
189: ok 2655
189: ok 2656
189: ok 2657
189: ok 2658
189: ok 2659
189: ok 2660
189: ok 2661
189: ok 2662
189: ok 2663
189: ok 2664
189: ok 2665
189: ok 2666
189: ok 2667
189: ok 2668
189: ok 2669
189: ok 2670
189: ok 2671
189: ok 2672
189: ok 2673
189: ok 2674
189: ok 2675
189: ok 2676
189: ok 2677
189: ok 2678
189: ok 2679
189: ok 2680
189: ok 2681
189: ok 2682
189: ok 2683
189: ok 2684
189: ok 2685
189: ok 2686
189: ok 2687
189: ok 2688
189: ok 2689
189: ok 2690
189: ok 2691
189: ok 2692
189: ok 2693
189: ok 2694
189: ok 2695
189: ok 2696
189: ok 2697
189: ok 2698
189: ok 2699
189: ok 2700
189: ok 2701
189: ok 2702
189: ok 2703
189: ok 2704
189: ok 2705
189: ok 2706
189: ok 2707
189: ok 2708
189: ok 2709
189: ok 2710
189: ok 2711
189: ok 2712
189: ok 2713
189: ok 2714
189: ok 2715
189: ok 2716
189: ok 2717
189: ok 2718
189: ok 2719
189: ok 2720
189: ok 2721
189: ok 2722
189: ok 2723
189: ok 2724
189: ok 2725
189: ok 2726
189: ok 2727
189: ok 2728
189: ok 2729
189: ok 2730
189: ok 2731
189: ok 2732
189: ok 2733
189: ok 2734
189: ok 2735
189: ok 2736
189: ok 2737
189: ok 2738
189: ok 2739
189: ok 2740
189: ok 2741
189: ok 2742
189: ok 2743
189: ok 2744
189: ok 2745
189: ok 2746
189: ok 2747
189: ok 2748
189: ok 2749
189: ok 2750
189: ok 2751
189: ok 2752
189: ok 2753
189: ok 2754
189: ok 2755
189: ok 2756
189: ok 2757
189: ok 2758
189: ok 2759
189: ok 2760
189: ok 2761
189: ok 2762
189: ok 2763
189: ok 2764
189: ok 2765
189: ok 2766
189: ok 2767
189: ok 2768
189: ok 2769
189: ok 2770
189: ok 2771
189: ok 2772
189: ok 2773
189: ok 2774
189: ok 2775
189: ok 2776
189: ok 2777
189: ok 2778
189: ok 2779
189: ok 2780
189: ok 2781
189: ok 2782
189: ok 2783
189: ok 2784
189: ok 2785
189: ok 2786
189: ok 2787
189: ok 2788
189: ok 2789
189: ok 2790
189: ok 2791
189: ok 2792
189: ok 2793
189: ok 2794
189: ok 2795
189: ok 2796
189: ok 2797
189: ok 2798
189: ok 2799
189: ok 2800
189: ok 2801
189: ok 2802
189: ok 2803
189: ok 2804
189: ok 2805
189: ok 2806
189: ok 2807
189: ok 2808
189: ok 2809
189: ok 2810
189: ok 2811
189: ok 2812
189: ok 2813
189: ok 2814
189: ok 2815
189: ok 2816
189: ok 2817
189: ok 2818
189: ok 2819
189: ok 2820
189: ok 2821
189: ok 2822
189: ok 2823
189: ok 2824
189: ok 2825
189: ok 2826
189: ok 2827
189: ok 2828
189: ok 2829
189: ok 2830
189: ok 2831
189: ok 2832
189: ok 2833
189: ok 2834
189: ok 2835
189: ok 2836
189: ok 2837
189: ok 2838
189: ok 2839
189: ok 2840
189: ok 2841
189: ok 2842
189: ok 2843
189: ok 2844
189: ok 2845
189: ok 2846
189: ok 2847
189: ok 2848
189: ok 2849
189: ok 2850
189: ok 2851
189: ok 2852
189: ok 2853
189: ok 2854
189: ok 2855
189: ok 2856
189: ok 2857
189: ok 2858
189: ok 2859
189: ok 2860
189: ok 2861
189: ok 2862
189: ok 2863
189: ok 2864
189: ok 2865
189: ok 2866
189: ok 2867
189: ok 2868
189: ok 2869
189: ok 2870
189: ok 2871
189: ok 2872
189: ok 2873
189: ok 2874
189: ok 2875
189: ok 2876
189: ok 2877
189: ok 2878
189: ok 2879
189: ok 2880
189: ok 2881
189: ok 2882
189: ok 2883
189: ok 2884
189: ok 2885
189: ok 2886
189: ok 2887
189: ok 2888
189: ok 2889
189: ok 2890
189: ok 2891
189: ok 2892
189: ok 2893
189: ok 2894
189: ok 2895
189: ok 2896
189: ok 2897
189: ok 2898
189: ok 2899
189: ok 2900
189: ok 2901
189: ok 2902
189: ok 2903
189: ok 2904
189: ok 2905
189: ok 2906
189: ok 2907
189: ok 2908
189: ok 2909
189: ok 2910
189: ok 2911
189: ok 2912
189: ok 2913
189: ok 2914
189: ok 2915
189: ok 2916
189: ok 2917
189: ok 2918
189: ok 2919
189: ok 2920
189: ok 2921
189: ok 2922
189: ok 2923
189: ok 2924
189: ok 2925
189: ok 2926
189: ok 2927
189: ok 2928
189: ok 2929
189: ok 2930
189: ok 2931
189: ok 2932
189: ok 2933
189: ok 2934
189: ok 2935
189: ok 2936
189: ok 2937
189: ok 2938
189: ok 2939
189: ok 2940
189: ok 2941
189: ok 2942
189: ok 2943
189: ok 2944
189: ok 2945
189: ok 2946
189: ok 2947
189: ok 2948
189: ok 2949
189: ok 2950
189: ok 2951
189: ok 2952
189: ok 2953
189: ok 2954
189: ok 2955
189: ok 2956
189: ok 2957
189: ok 2958
189: ok 2959
189: ok 2960
189: ok 2961
189: ok 2962
189: ok 2963
189: ok 2964
189: ok 2965
189: ok 2966
189: ok 2967
189: ok 2968
189: ok 2969
189: ok 2970
189: ok 2971
189: ok 2972
189: ok 2973
189: ok 2974
189: ok 2975
189: ok 2976
189: ok 2977
189: ok 2978
189: ok 2979
189: ok 2980
189: ok 2981
189: ok 2982
189: ok 2983
189: ok 2984
189: ok 2985
189: ok 2986
189: ok 2987
189: ok 2988
189: ok 2989
189: ok 2990
189: ok 2991
189: ok 2992
189: ok 2993
189: ok 2994
189: ok 2995
189: ok 2996
189: ok 2997
189: ok 2998
189: ok 2999
189: ok 3000
189: ok 3001
189: ok 3002
189: ok 3003
189: ok 3004
189: ok 3005
189: ok 3006
189: ok 3007
189: ok 3008
189: ok 3009
189: ok 3010
189: ok 3011
189: ok 3012
189: ok 3013
189: ok 3014
189: ok 3015
189: ok 3016
189: ok 3017
189: ok 3018
189: ok 3019
189: ok 3020
189: ok 3021
189: ok 3022
189: ok 3023
189: ok 3024
189: ok 3025
189: ok 3026
189: ok 3027
189: ok 3028
189: ok 3029
189: ok 3030
189: ok 3031
189: ok 3032
189: ok 3033
189: ok 3034
189: ok 3035
189: ok 3036
189: ok 3037
189: ok 3038
189: ok 3039
189: ok 3040
189: ok 3041
189: ok 3042
189: ok 3043
189: ok 3044
189: ok 3045
189: ok 3046
189: ok 3047
189: ok 3048
189: ok 3049
189: ok 3050
189: ok 3051
189: ok 3052
189: ok 3053
189: ok 3054
189: ok 3055
189: ok 3056
189: ok 3057
189: ok 3058
189: ok 3059
189: ok 3060
189: ok 3061
189: ok 3062
189: ok 3063
189: ok 3064
189: ok 3065
189: ok 3066
189: ok 3067
189: ok 3068
189: ok 3069
189: ok 3070
189: ok 3071
189: ok 3072
189: ok 3073
189: ok 3074
189: ok 3075
189: ok 3076
189: ok 3077
189: ok 3078
189: ok 3079
189: ok 3080
189: ok 3081
189: ok 3082
189: ok 3083
189: ok 3084
189: ok 3085
189: ok 3086
189: ok 3087
189: ok 3088
189: ok 3089
189: ok 3090
189: ok 3091
189: ok 3092
189: ok 3093
189: ok 3094
189: ok 3095
189: ok 3096
189: ok 3097
189: ok 3098
189: ok 3099
189: ok 3100
189: ok 3101
189: ok 3102
189: ok 3103
189: ok 3104
189: ok 3105
189: ok 3106
189: ok 3107
189: ok 3108
189: ok 3109
189: ok 3110
189: ok 3111
189: ok 3112
189: ok 3113
189: ok 3114
189: ok 3115
189: ok 3116
189: ok 3117
189: ok 3118
189: ok 3119
189: ok 3120
189: ok 3121
189: ok 3122
189: ok 3123
189: ok 3124
189: ok 3125
189: ok 3126
189: ok 3127
189: ok 3128
189: ok 3129
189: ok 3130
189: ok 3131
189: ok 3132
189: ok 3133
189: ok 3134
189: ok 3135
189: ok 3136
189: ok 3137
189: ok 3138
189: ok 3139
189: ok 3140
189: ok 3141
189: ok 3142
189: ok 3143
189: ok 3144
189: ok 3145
189: ok 3146
189: ok 3147
189: ok 3148
189: ok 3149
189: ok 3150
189: ok 3151
189: ok 3152
189: ok 3153
189: ok 3154
189: ok 3155
189: ok 3156
189: ok 3157
189: ok 3158
189: ok 3159
189: ok 3160
189: ok 3161
189: ok 3162
189: ok 3163
189: ok 3164
189: ok 3165
189: ok 3166
189: ok 3167
189: ok 3168
189: ok 3169
189: ok 3170
189: ok 3171
189: ok 3172
189: ok 3173
189: ok 3174
189: ok 3175
189: ok 3176
189: ok 3177
189: ok 3178
189: ok 3179
189: ok 3180
189: ok 3181
189: ok 3182
189: ok 3183
189: ok 3184
189: ok 3185
189: ok 3186
189: ok 3187
189: ok 3188
189: ok 3189
189: ok 3190
189: ok 3191
189: ok 3192
189: ok 3193
189: ok 3194
189: ok 3195
189: ok 3196
189: ok 3197
189: ok 3198
189: ok 3199
189: ok 3200
189: ok 3201
189: ok 3202
189: ok 3203
189: ok 3204
189: ok 3205
189: ok 3206
189: ok 3207
189: ok 3208
189: ok 3209
189: ok 3210
189: ok 3211
189: ok 3212
189: ok 3213
189: ok 3214
189: ok 3215
189: ok 3216
189: ok 3217
189: ok 3218
189: ok 3219
189: ok 3220
189: ok 3221
189: ok 3222
189: ok 3223
189: ok 3224
189: ok 3225
189: ok 3226
189: ok 3227
189: ok 3228
189: ok 3229
189: ok 3230
189: ok 3231
189: ok 3232
189: ok 3233
189: ok 3234
189: ok 3235
189: ok 3236
189: ok 3237
189: ok 3238
189: ok 3239
189: ok 3240
189: ok 3241
189: ok 3242
189: ok 3243
189: ok 3244
189: ok 3245
189: ok 3246
189: ok 3247
189: ok 3248
189: ok 3249
189: ok 3250
189: ok 3251
189: ok 3252
189: ok 3253
189: ok 3254
189: ok 3255
189: ok 3256
189: ok 3257
189: ok 3258
189: ok 3259
189: ok 3260
189: ok 3261
189: ok 3262
189: ok 3263
189: ok 3264
189: ok 3265
189: ok 3266
189: ok 3267
189: ok 3268
189: ok 3269
189: ok 3270
189: ok 3271
189: ok 3272
189: ok 3273
189: ok 3274
189: ok 3275
189: ok 3276
189: ok 3277
189: ok 3278
189: ok 3279
189: ok 3280
189: ok 3281
189: ok 3282
189: ok 3283
189: ok 3284
189: ok 3285
189: ok 3286
189: ok 3287
189: ok 3288
189: ok 3289
189: ok 3290
189: ok 3291
189: ok 3292
189: ok 3293
189: ok 3294
189: ok 3295
189: ok 3296
189: ok 3297
189: ok 3298
189: ok 3299
189: ok 3300
189: ok 3301
189: ok 3302
189: ok 3303
189: ok 3304
189: ok 3305
189: ok 3306
189: ok 3307
189: ok 3308
189: ok 3309
189: ok 3310
189: ok 3311
189: ok 3312
189: ok 3313
189: ok 3314
189: ok 3315
189: ok 3316
189: ok 3317
189: ok 3318
189: ok 3319
189: ok 3320
189: ok 3321
189: ok 3322
189: ok 3323
189: ok 3324
189: ok 3325
189: ok 3326
189: ok 3327
189: ok 3328
189: ok 3329
189: ok 3330
189: ok 3331
189: ok 3332
189: ok 3333
189: ok 3334
189: ok 3335
189: ok 3336
189: ok 3337
189: ok 3338
189: ok 3339
189: ok 3340
189: ok 3341
189: ok 3342
189: ok 3343
189: ok 3344
189: ok 3345
189: ok 3346
189: ok 3347
189: ok 3348
189: ok 3349
189: ok 3350
189: ok 3351
189: ok 3352
189: ok 3353
189: ok 3354
189: ok 3355
189: ok 3356
189: ok 3357
189: ok 3358
189: ok 3359
189: ok 3360
189: ok 3361
189: ok 3362
189: ok 3363
189: ok 3364
189: ok 3365
189: ok 3366
189: ok 3367
189: ok 3368
189: ok 3369
189: ok 3370
189: ok 3371
189: ok 3372
189: ok 3373
189: ok 3374
189: ok 3375
189: ok 3376
189: ok 3377
189: ok 3378
189: ok 3379
189: ok 3380
189: ok 3381
189: ok 3382
189: ok 3383
189: ok 3384
189: ok 3385
189: ok 3386
189: ok 3387
189: ok 3388
189: ok 3389
189: ok 3390
189: ok 3391
189: ok 3392
189: ok 3393
189: ok 3394
189: ok 3395
189: ok 3396
189: ok 3397
189: ok 3398
189: ok 3399
189: ok 3400
189: ok 3401
189: ok 3402
189: ok 3403
189: ok 3404
189: ok 3405
189: ok 3406
189: ok 3407
189: ok 3408
189: ok 3409
189: ok 3410
189: ok 3411
189: ok 3412
189: ok 3413
189: ok 3414
189: ok 3415
189: ok 3416
189: ok 3417
189: ok 3418
189: ok 3419
189: ok 3420
189: ok 3421
189: ok 3422
189: ok 3423
189: ok 3424
189: ok 3425
189: ok 3426
189: ok 3427
189: ok 3428
189: ok 3429
189: ok 3430
189: ok 3431
189: ok 3432
189: ok 3433
189: ok 3434
189: ok 3435
189: ok 3436
189: ok 3437
189: ok 3438
189: ok 3439
189: ok 3440
189: ok 3441
189: ok 3442
189: ok 3443
189: ok 3444
189: ok 3445
189: ok 3446
189: ok 3447
189: ok 3448
189: ok 3449
189: ok 3450
189: ok 3451
189: ok 3452
189: ok 3453
189: ok 3454
189: ok 3455
189: ok 3456
189: ok 3457
189: ok 3458
189: ok 3459
189: ok 3460
189: ok 3461
189: ok 3462
189: ok 3463
189: ok 3464
189: ok 3465
189: ok 3466
189: ok 3467
189: ok 3468
189: ok 3469
189: ok 3470
189: ok 3471
189: ok 3472
189: ok 3473
189: ok 3474
189: ok 3475
189: ok 3476
189: ok 3477
189: ok 3478
189: ok 3479
189: ok 3480
189: ok 3481
189: ok 3482
189: ok 3483
189: ok 3484
189: ok 3485
189: ok 3486
189: ok 3487
189: ok 3488
189: ok 3489
189: ok 3490
189: ok 3491
189: ok 3492
189: ok 3493
189: ok 3494
189: ok 3495
189: ok 3496
189: ok 3497
189: ok 3498
189: ok 3499
189: ok 3500
189: ok 3501
189: ok 3502
189: ok 3503
189: ok 3504
189: ok 3505
189: ok 3506
189: ok 3507
189: ok 3508
189: ok 3509
189: ok 3510
189: ok 3511
189: ok 3512
189: ok 3513
189: ok 3514
189: ok 3515
189: ok 3516
189: ok 3517
189: ok 3518
189: ok 3519
189: ok 3520
189: ok 3521
189: ok 3522
189: ok 3523
189: ok 3524
189: ok 3525
189: ok 3526
189: ok 3527
189: ok 3528
189: ok 3529
189: ok 3530
189: ok 3531
189: ok 3532
189: ok 3533
189: ok 3534
189: ok 3535
189: ok 3536
189: ok 3537
189: ok 3538
189: ok 3539
189: ok 3540
189: ok 3541
189: ok 3542
189: ok 3543
189: ok 3544
189: ok 3545
189: ok 3546
189: ok 3547
189: ok 3548
189: ok 3549
189: ok 3550
189: ok 3551
189: ok 3552
189: ok 3553
189: ok 3554
189: ok 3555
189: ok 3556
189: ok 3557
189: ok 3558
189: ok 3559
189: ok 3560
189: ok 3561
189: ok 3562
189: ok 3563
189: ok 3564
189: ok 3565
189: ok 3566
189: ok 3567
189: ok 3568
189: ok 3569
189: ok 3570
189: ok 3571
189: ok 3572
189: ok 3573
189: ok 3574
189: ok 3575
189: ok 3576
189: ok 3577
189: ok 3578
189: ok 3579
189: ok 3580
189: ok 3581
189: ok 3582
189: ok 3583
189: ok 3584
189: ok 3585
189: ok 3586
189: ok 3587
189: ok 3588
189: ok 3589
189: ok 3590
189: ok 3591
189: ok 3592
189: ok 3593
189: ok 3594
189: ok 3595
189: ok 3596
189: ok 3597
189: ok 3598
189: ok 3599
189: ok 3600
189: ok 3601
189: ok 3602
189: ok 3603
189: ok 3604
189: ok 3605
189: ok 3606
189: ok 3607
189: ok 3608
189: ok 3609
189: ok 3610
189: ok 3611
189: ok 3612
189: ok 3613
189: ok 3614
189: ok 3615
189: ok 3616
189: ok 3617
189: ok 3618
189: ok 3619
189: ok 3620
189: ok 3621
189: ok 3622
189: ok 3623
189: ok 3624
189: ok 3625
189: ok 3626
189: ok 3627
189: ok 3628
189: ok 3629
189: ok 3630
189: ok 3631
189: ok 3632
189: ok 3633
189: ok 3634
189: ok 3635
189: ok 3636
189: ok 3637
189: ok 3638
189: ok 3639
189: ok 3640
189: ok 3641
189: ok 3642
189: ok 3643
189: ok 3644
189: ok 3645
189: ok 3646
189: ok 3647
189: ok 3648
189: ok 3649
189: ok 3650
189: ok 3651
189: ok 3652
189: ok 3653
189: ok 3654
189: ok 3655
189: ok 3656
189: ok 3657
189: ok 3658
189: ok 3659
189: ok 3660
189: ok 3661
189: ok 3662
189: ok 3663
189: ok 3664
189: ok 3665
189: ok 3666
189: ok 3667
189: ok 3668
189: ok 3669
189: ok 3670
189: ok 3671
189: ok 3672
189: ok 3673
189: ok 3674
189: ok 3675
189: ok 3676
189: ok 3677
189: ok 3678
189: ok 3679
189: ok 3680
189: ok 3681
189: ok 3682
189: ok 3683
189: ok 3684
189: ok 3685
189: ok 3686
189: ok 3687
189: ok 3688
189: ok 3689
189: ok 3690
189: ok 3691
189: ok 3692
189: ok 3693
189: ok 3694
189: ok 3695
189: ok 3696
189: ok 3697
189: ok 3698
189: ok 3699
189: ok 3700
189: ok 3701
189: ok 3702
189: ok 3703
189: ok 3704
189: ok 3705
189: ok 3706
189: ok 3707
189: ok 3708
189: ok 3709
189: ok 3710
189: ok 3711
189: ok 3712
189: ok 3713
189: ok 3714
189: ok 3715
189: ok 3716
189: ok 3717
189: ok 3718
189: ok 3719
189: ok 3720
189: ok 3721
189: ok 3722
189: ok 3723
189: ok 3724
189: ok 3725
189: ok 3726
189: ok 3727
189: ok 3728
189: ok 3729
189: ok 3730
189: ok 3731
189: ok 3732
189: ok 3733
189: ok 3734
189: ok 3735
189: ok 3736
189: ok 3737
189: ok 3738
189: ok 3739
189: ok 3740
189: ok 3741
189: ok 3742
189: ok 3743
189: ok 3744
189: ok 3745
189: ok 3746
189: ok 3747
189: ok 3748
189: ok 3749
189: ok 3750
189: ok 3751
189: ok 3752
189: ok 3753
189: ok 3754
189: ok 3755
189: ok 3756
189: ok 3757
189: ok 3758
189: ok 3759
189: ok 3760
189: ok 3761
189: ok 3762
189: ok 3763
189: ok 3764
189: ok 3765
189: ok 3766
189: ok 3767
189: ok 3768
189: ok 3769
189: ok 3770
189: ok 3771
189: ok 3772
189: ok 3773
189: ok 3774
189: ok 3775
189: ok 3776
189: ok 3777
189: ok 3778
189: ok 3779
189: ok 3780
189: ok 3781
189: ok 3782
189: ok 3783
189: ok 3784
189: ok 3785
189: ok 3786
189: ok 3787
189: ok 3788
189: ok 3789
189: ok 3790
189: ok 3791
189: ok 3792
189: ok 3793
189: ok 3794
189: ok 3795
189: ok 3796
189: ok 3797
189: ok 3798
189: ok 3799
189: ok 3800
189: ok 3801
189: ok 3802
189: ok 3803
189: ok 3804
189: ok 3805
189: ok 3806
189: ok 3807
189: ok 3808
189: ok 3809
189: ok 3810
189: ok 3811
189: ok 3812
189: ok 3813
189: ok 3814
189: ok 3815
189: ok 3816
189: ok 3817
189: ok 3818
189: ok 3819
189: ok 3820
189: ok 3821
189: ok 3822
189: ok 3823
189: ok 3824
189: ok 3825
189: ok 3826
189: ok 3827
189: ok 3828
189: ok 3829
189: ok 3830
189: ok 3831
189: ok 3832
189: ok 3833
189: ok 3834
189: ok 3835
189: ok 3836
189: ok 3837
189: ok 3838
189: ok 3839
189: ok 3840
189: ok 3841
189: ok 3842
189: ok 3843
189: ok 3844
189: ok 3845
189: ok 3846
189: ok 3847
189: ok 3848
189: ok 3849
189: ok 3850
189: ok 3851
189: ok 3852
189: ok 3853
189: ok 3854
189: ok 3855
189: ok 3856
189: ok 3857
189: ok 3858
189: ok 3859
189: ok 3860
189: ok 3861
189: ok 3862
189: ok 3863
189: ok 3864
189: ok 3865
189: ok 3866
189: ok 3867
189: ok 3868
189: ok 3869
189: ok 3870
189: ok 3871
189: ok 3872
189: ok 3873
189: ok 3874
189: ok 3875
189: ok 3876
189: ok 3877
189: ok 3878
189: ok 3879
189: ok 3880
189: ok 3881
189: ok 3882
189: ok 3883
189: ok 3884
189: ok 3885
189: ok 3886
189: ok 3887
189: ok 3888
189: ok 3889
189: ok 3890
189: ok 3891
189: ok 3892
189: ok 3893
189: ok 3894
189: ok 3895
189: ok 3896
189: ok 3897
189: ok 3898
189: ok 3899
189: ok 3900
189: ok 3901
189: ok 3902
189: ok 3903
189: ok 3904
189: ok 3905
189: ok 3906
189: ok 3907
189: ok 3908
189: ok 3909
189: ok 3910
189: ok 3911
189: ok 3912
189: ok 3913
189: ok 3914
189: ok 3915
189: ok 3916
189: ok 3917
189: ok 3918
189: ok 3919
189: ok 3920
189: ok 3921
189: ok 3922
189: ok 3923
189: ok 3924
189: ok 3925
189: ok 3926
189: ok 3927
189: ok 3928
189: ok 3929
189: ok 3930
189: ok 3931
189: ok 3932
189: ok 3933
189: ok 3934
189: ok 3935
189: ok 3936
189: ok 3937
189: ok 3938
189: ok 3939
189: ok 3940
189: ok 3941
189: ok 3942
189: ok 3943
189: ok 3944
189: ok 3945
189: ok 3946
189: ok 3947
189: ok 3948
189: ok 3949
189: ok 3950
189: ok 3951
189: ok 3952
189: ok 3953
189: ok 3954
189: ok 3955
189: ok 3956
189: ok 3957
189: ok 3958
189: ok 3959
189: ok 3960
189: ok 3961
189: ok 3962
189: ok 3963
189: ok 3964
189: ok 3965
189: ok 3966
189: ok 3967
189: ok 3968
189: ok 3969
189: ok 3970
189: ok 3971
189: ok 3972
189: ok 3973
189: ok 3974
189: ok 3975
189: ok 3976
189: ok 3977
189: ok 3978
189: ok 3979
189: ok 3980
189: ok 3981
189: ok 3982
189: ok 3983
189: ok 3984
189: ok 3985
189: ok 3986
189: ok 3987
189: ok 3988
189: ok 3989
189: ok 3990
189: ok 3991
189: ok 3992
189: ok 3993
189: ok 3994
189: ok 3995
189: ok 3996
189: ok 3997
189: ok 3998
189: ok 3999
189: ok 4000
189: ok 4001
189: ok 4002
189: ok 4003
189: ok 4004
189: ok 4005
189: ok 4006
189: ok 4007
189: ok 4008
189: ok 4009
189: ok 4010
189: ok 4011
189: ok 4012
189: ok 4013
189: ok 4014
189: ok 4015
189: ok 4016
189: ok 4017
189: ok 4018
189: ok 4019
189: ok 4020
189: ok 4021
189: ok 4022
189: ok 4023
189: ok 4024
189: ok 4025
189: ok 4026
189: ok 4027
189: ok 4028
189: ok 4029
189: ok 4030
189: ok 4031
189: ok 4032
189: ok 4033
189: ok 4034
189: ok 4035
189: ok 4036
189: ok 4037
189: ok 4038
189: ok 4039
189: ok 4040
189: ok 4041
189: ok 4042
189: ok 4043
189: ok 4044
189: ok 4045
189: ok 4046
189: ok 4047
189: ok 4048
189: ok 4049
189: ok 4050
189: ok 4051
189: ok 4052
189: ok 4053
189: ok 4054
189: ok 4055
189: ok 4056
189: ok 4057
189: ok 4058
189: ok 4059
189: ok 4060
189: ok 4061
189: ok 4062
189: ok 4063
189: ok 4064
189: ok 4065
189: ok 4066
189: ok 4067
189: ok 4068
189: ok 4069
189: ok 4070
189: ok 4071
189: ok 4072
189: ok 4073
189: ok 4074
189: ok 4075
189: ok 4076
189: ok 4077
189: ok 4078
189: ok 4079
189: ok 4080
189: ok 4081
189: ok 4082
189: ok 4083
189: ok 4084
189: ok 4085
189: ok 4086
189: ok 4087
189: ok 4088
189: ok 4089
189: ok 4090
189: ok 4091
189: ok 4092
189: ok 4093
189: ok 4094
189: ok 4095
189: ok 4096
189: ok 4097
189: ok 4098
189: ok 4099
189: ok 4100
189: ok 4101
189: ok 4102
189: ok 4103
189: ok 4104
189: ok 4105
189: ok 4106
189: ok 4107
189: ok 4108
189: ok 4109
189: ok 4110
189: ok 4111
189: ok 4112
189: ok 4113
189: ok 4114
189: ok 4115
189: ok 4116
189: ok 4117
189: ok 4118
189: ok 4119
189: ok 4120
189: ok 4121
189: ok 4122
189: ok 4123
189: ok 4124
189: ok 4125
189: ok 4126
189: ok 4127
189: ok 4128
189: ok 4129
189: ok 4130
189: ok 4131
189: ok 4132
189: ok 4133
189: ok 4134
189: ok 4135
189: ok 4136
189: ok 4137
189: ok 4138
189: ok 4139
189: ok 4140
189: ok 4141
189: ok 4142
189: ok 4143
189: ok 4144
189: ok 4145
189: ok 4146
189: ok 4147
189: ok 4148
189: ok 4149
189: ok 4150
189: ok 4151
189: ok 4152
189: ok 4153
189: ok 4154
189: ok 4155
189: ok 4156
189: ok 4157
189: ok 4158
189: ok 4159
189: ok 4160
189: ok 4161
189: ok 4162
189: ok 4163
189: ok 4164
189: ok 4165
189: ok 4166
189: ok 4167
189: ok 4168
189: ok 4169
189: ok 4170
189: ok 4171
189: ok 4172
189: ok 4173
189: ok 4174
189: ok 4175
189: ok 4176
189: ok 4177
189: ok 4178
189: ok 4179
189: ok 4180
189: ok 4181
189: ok 4182
189: ok 4183
189: ok 4184
189: ok 4185
189: ok 4186
189: ok 4187
189: ok 4188
189: ok 4189
189: ok 4190
189: ok 4191
189: ok 4192
189: ok 4193
189: ok 4194
189: ok 4195
189: ok 4196
189: ok 4197
189: ok 4198
189: ok 4199
189: ok 4200
189: ok 4201
189: ok 4202
189: ok 4203
189: ok 4204
189: ok 4205
189: ok 4206
189: ok 4207
189: ok 4208
189: ok 4209
189: ok 4210
189: ok 4211
189: ok 4212
189: ok 4213
189: ok 4214
189: ok 4215
189: ok 4216
189: ok 4217
189: ok 4218
189: ok 4219
189: ok 4220
189: ok 4221
189: ok 4222
189: ok 4223
189: ok 4224
189: ok 4225
189: ok 4226
189: ok 4227
189: ok 4228
189: ok 4229
189: ok 4230
189: ok 4231
189: ok 4232
189: ok 4233
189: ok 4234
189: ok 4235
189: ok 4236
189: ok 4237
189: ok 4238
189: ok 4239
189: ok 4240
189: ok 4241
189: ok 4242
189: ok 4243
189: ok 4244
189: ok 4245
189: ok 4246
189: ok 4247
189: ok 4248
189: ok 4249
189: ok 4250
189: ok 4251
189: ok 4252
189: ok 4253
189: ok 4254
189: ok 4255
189: ok 4256
189: ok 4257
189: ok 4258
189: ok 4259
189: ok 4260
189: ok 4261
189: ok 4262
189: ok 4263
189: ok 4264
189: ok 4265
189: ok 4266
189: ok 4267
189: ok 4268
189: ok 4269
189: ok 4270
189: ok 4271
189: ok 4272
189: ok 4273
189: ok 4274
189: ok 4275
189: ok 4276
189: ok 4277
189: ok 4278
189: ok 4279
189: ok 4280
189: ok 4281
189: ok 4282
189: ok 4283
189: ok 4284
189: ok 4285
189: ok 4286
189: ok 4287
189: ok 4288
189: ok 4289
189: ok 4290
189: ok 4291
189: ok 4292
189: ok 4293
189: ok 4294
189: ok 4295
189: ok 4296
189: ok 4297
189: ok 4298
189: ok 4299
189: ok 4300
189: ok 4301
189: ok 4302
189: ok 4303
189: ok 4304
189: ok 4305
189: ok 4306
189: ok 4307
189: ok 4308
189: ok 4309
189: ok 4310
189: ok 4311
189: ok 4312
189: ok 4313
189: ok 4314
189: ok 4315
189: ok 4316
189: ok 4317
189: ok 4318
189: ok 4319
189: ok 4320
189: ok 4321
189: ok 4322
189: ok 4323
189: ok 4324
189: ok 4325
189: ok 4326
189: ok 4327
189: ok 4328
189: ok 4329
189: ok 4330
189: ok 4331
189: ok 4332
189: ok 4333
189: ok 4334
189: ok 4335
189: ok 4336
189: ok 4337
189: ok 4338
189: ok 4339
189: ok 4340
189: ok 4341
189: ok 4342
189: ok 4343
189: ok 4344
189: ok 4345
189: ok 4346
189: ok 4347
189: ok 4348
189: ok 4349
189: ok 4350
189: ok 4351
189: ok 4352
189: ok 4353
189: ok 4354
189: ok 4355
189: ok 4356
189: ok 4357
189: ok 4358
189: ok 4359
189: ok 4360
189: ok 4361
189: ok 4362
189: ok 4363
189: ok 4364
189: ok 4365
189: ok 4366
189: ok 4367
189: ok 4368
189: ok 4369
189: ok 4370
189: ok 4371
189: ok 4372
189: ok 4373
189: ok 4374
189: ok 4375
189: ok 4376
189: ok 4377
189: ok 4378
189: ok 4379
189: ok 4380
189: ok 4381
189: ok 4382
189: ok 4383
189: ok 4384
189: ok 4385
189: ok 4386
189: ok 4387
189: ok 4388
189: ok 4389
189: ok 4390
189: ok 4391
189: ok 4392
189: ok 4393
189: ok 4394
189: ok 4395
189: ok 4396
189: ok 4397
189: ok 4398
189: ok 4399
189: ok 4400
189: ok 4401
189: ok 4402
189: ok 4403
189: ok 4404
189: ok 4405
189: ok 4406
189: ok 4407
189: ok 4408
189: ok 4409
189: ok 4410
189: ok 4411
189: ok 4412
189: ok 4413
189: ok 4414
189: ok 4415
189: ok 4416
189: ok 4417
189: ok 4418
189: ok 4419
189: ok 4420
189: ok 4421
189: ok 4422
189: ok 4423
189: ok 4424
189: ok 4425
189: ok 4426
189: ok 4427
189: ok 4428
189: ok 4429
189: ok 4430
189: ok 4431
189: ok 4432
189: ok 4433
189: ok 4434
189: ok 4435
189: ok 4436
189: ok 4437
189: ok 4438
189: ok 4439
189: ok 4440
189: ok 4441
189: ok 4442
189: ok 4443
189: ok 4444
189: ok 4445
189: ok 4446
189: ok 4447
189: ok 4448
189: ok 4449
189: ok 4450
189: ok 4451
189: ok 4452
189: ok 4453
189: ok 4454
189: ok 4455
189: ok 4456
189: ok 4457
189: ok 4458
189: ok 4459
189: ok 4460
189: ok 4461
189: ok 4462
189: ok 4463
189: ok 4464
189: ok 4465
189: ok 4466
189: ok 4467
189: ok 4468
189: ok 4469
189: ok 4470
189: ok 4471
189: ok 4472
189: ok 4473
189: ok 4474
189: ok 4475
189: ok 4476
189: ok 4477
189: ok 4478
189: ok 4479
189: ok 4480
189: ok 4481
189: ok 4482
189: ok 4483
189: ok 4484
189: ok 4485
189: ok 4486
189: ok 4487
189: ok 4488
189: ok 4489
189: ok 4490
189: ok 4491
189: ok 4492
189: ok 4493
189: ok 4494
189: ok 4495
189: ok 4496
189: ok 4497
189: ok 4498
189: ok 4499
189: ok 4500
189: ok 4501
189: ok 4502
189: ok 4503
189: ok 4504
189: ok 4505
189: ok 4506
189: ok 4507
189: ok 4508
189: ok 4509
189: ok 4510
189: ok 4511
189: ok 4512
189: ok 4513
189: ok 4514
189: ok 4515
189: ok 4516
189: ok 4517
189: ok 4518
189: ok 4519
189: ok 4520
189: ok 4521
189: ok 4522
189: ok 4523
189: ok 4524
189: ok 4525
189: ok 4526
189: ok 4527
189: ok 4528
189: ok 4529
189: ok 4530
189: ok 4531
189: ok 4532
189: ok 4533
189: ok 4534
189: ok 4535
189: ok 4536
189: ok 4537
189: ok 4538
189: ok 4539
189: ok 4540
189: ok 4541
189: ok 4542
189: ok 4543
189: ok 4544
189: ok 4545
189: ok 4546
189: ok 4547
189: ok 4548
189: ok 4549
189: ok 4550
189: ok 4551
189: ok 4552
189: ok 4553
189: ok 4554
189: ok 4555
189: ok 4556
189: ok 4557
189: ok 4558
189: ok 4559
189: ok 4560
189: ok 4561
189: ok 4562
189: ok 4563
189: ok 4564
189: ok 4565
189: ok 4566
189: ok 4567
189: ok 4568
189: ok 4569
189: ok 4570
189: ok 4571
189: ok 4572
189: ok 4573
189: ok 4574
189: ok 4575
189: ok 4576
189: ok 4577
189: ok 4578
189: ok 4579
189: ok 4580
189: ok 4581
189: ok 4582
189: ok 4583
189: ok 4584
189: ok 4585
189: ok 4586
189: ok 4587
189: ok 4588
189: ok 4589
189: ok 4590
189: ok 4591
189: ok 4592
189: ok 4593
189: ok 4594
189: ok 4595
189: ok 4596
189: ok 4597
189: ok 4598
189: ok 4599
189: ok 4600
189: ok 4601
189: ok 4602
189: ok 4603
189: ok 4604
189: ok 4605
189: ok 4606
189: ok 4607
189: ok 4608
189: ok 4609
189: ok 4610
189: ok 4611
189: ok 4612
189: ok 4613
189: ok 4614
189: ok 4615
189: ok 4616
189: ok 4617
189: ok 4618
189: ok 4619
189: ok 4620
189: ok 4621
189: ok 4622
189: ok 4623
189: ok 4624
189: ok 4625
189: ok 4626
189: ok 4627
189: ok 4628
189: ok 4629
189: ok 4630
189: ok 4631
189: ok 4632
189: ok 4633
189: ok 4634
189: ok 4635
189: ok 4636
189: ok 4637
189: ok 4638
189: ok 4639
189: ok 4640
189: ok 4641
189: ok 4642
189: ok 4643
189: ok 4644
189: ok 4645
189: ok 4646
189: ok 4647
189: ok 4648
189: ok 4649
189: ok 4650
189: ok 4651
189: ok 4652
189: ok 4653
189: ok 4654
189: ok 4655
189: ok 4656
189: ok 4657
189: ok 4658
189: ok 4659
189: ok 4660
189: ok 4661
189: ok 4662
189: ok 4663
189: ok 4664
189: ok 4665
189: ok 4666
189: ok 4667
189: ok 4668
189: ok 4669
189: ok 4670
189: ok 4671
189: ok 4672
189: ok 4673
189: ok 4674
189: ok 4675
189: ok 4676
189: ok 4677
189: ok 4678
189: ok 4679
189: ok 4680
189: ok 4681
189: ok 4682
189: ok 4683
189: ok 4684
189: ok 4685
189: ok 4686
189: ok 4687
189: ok 4688
189: ok 4689
189: ok 4690
189: ok 4691
189: ok 4692
189: ok 4693
189: ok 4694
189: ok 4695
189: ok 4696
189: ok 4697
189: ok 4698
189: ok 4699
189: ok 4700
189: ok 4701
189: ok 4702
189: ok 4703
189: ok 4704
189: ok 4705
189: ok 4706
189: ok 4707
189: ok 4708
189: ok 4709
189: ok 4710
189: ok 4711
189: ok 4712
189: ok 4713
189: ok 4714
189: ok 4715
189: ok 4716
189: ok 4717
189: ok 4718
189: ok 4719
189: ok 4720
189: ok 4721
189: ok 4722
189: ok 4723
189: ok 4724
189: ok 4725
189: ok 4726
189: ok 4727
189: ok 4728
189: ok 4729
189: ok 4730
189: ok 4731
189: ok 4732
189: ok 4733
189: ok 4734
189: ok 4735
189: ok 4736
189: ok 4737
189: ok 4738
189: ok 4739
189: ok 4740
189: ok 4741
189: ok 4742
189: ok 4743
189: ok 4744
189: ok 4745
189: ok 4746
189: ok 4747
189: ok 4748
189: ok 4749
189: ok 4750
189: ok 4751
189: ok 4752
189: ok 4753
189: ok 4754
189: ok 4755
189: ok 4756
189: ok 4757
189: ok 4758
189: ok 4759
189: ok 4760
189: ok 4761
189: ok 4762
189: ok 4763
189: ok 4764
189: ok 4765
189: ok 4766
189: ok 4767
189: ok 4768
189: ok 4769
189: ok 4770
189: ok 4771
189: ok 4772
189: ok 4773
189: ok 4774
189: ok 4775
189: ok 4776
189: ok 4777
189: ok 4778
189: ok 4779
189: ok 4780
189: ok 4781
189: ok 4782
189: ok 4783
189: ok 4784
189: ok 4785
189: ok 4786
189: ok 4787
189: ok 4788
189: ok 4789
189: ok 4790
189: ok 4791
189: ok 4792
189: ok 4793
189: ok 4794
189: ok 4795
189: ok 4796
189: ok 4797
189: ok 4798
189: ok 4799
189: ok 4800
189: ok 4801
189: ok 4802
189: ok 4803
189: ok 4804
189: ok 4805
189: ok 4806
189: ok 4807
189: ok 4808
189: ok 4809
189: ok 4810
189: ok 4811
189: ok 4812
189: ok 4813
189: ok 4814
189: ok 4815
189: ok 4816
189: ok 4817
189: ok 4818
189: ok 4819
189: ok 4820
189: ok 4821
189: ok 4822
189: ok 4823
189: ok 4824
189: ok 4825
189: ok 4826
189: ok 4827
189: ok 4828
189: ok 4829
189: ok 4830
189: ok 4831
189: ok 4832
189: ok 4833
189: ok 4834
189: ok 4835
189: ok 4836
189: ok 4837
189: ok 4838
189: ok 4839
189: ok 4840
189: ok 4841
189: ok 4842
189: ok 4843
189: ok 4844
189: ok 4845
189: ok 4846
189: ok 4847
189: ok 4848
189: ok 4849
189: ok 4850
189: ok 4851
189: ok 4852
189: ok 4853
189: ok 4854
189: ok 4855
189: ok 4856
189: ok 4857
189: ok 4858
189: ok 4859
189: ok 4860
189: ok 4861
189: ok 4862
189: ok 4863
189: ok 4864
189: ok 4865
189: ok 4866
189: ok 4867
189: ok 4868
189: ok 4869
189: ok 4870
189: ok 4871
189: ok 4872
189: ok 4873
189: ok 4874
189: ok 4875
189: ok 4876
189: ok 4877
189: ok 4878
189: ok 4879
189: ok 4880
189: ok 4881
189: ok 4882
189: ok 4883
189: ok 4884
189: ok 4885
189: ok 4886
189: ok 4887
189: ok 4888
189: ok 4889
189: ok 4890
189: ok 4891
189: ok 4892
189: ok 4893
189: ok 4894
189: ok 4895
189: ok 4896
189: ok 4897
189: ok 4898
189: ok 4899
189: ok 4900
189: ok 4901
189: ok 4902
189: ok 4903
189: ok 4904
189: ok 4905
189: ok 4906
189: ok 4907
189: ok 4908
189: ok 4909
189: ok 4910
189: ok 4911
189: ok 4912
189: ok 4913
189: ok 4914
189: ok 4915
189: ok 4916
189: ok 4917
189: ok 4918
189: ok 4919
189: ok 4920
189: ok 4921
189: ok 4922
189: ok 4923
189: ok 4924
189: ok 4925
189: ok 4926
189: ok 4927
189: ok 4928
189: ok 4929
189: ok 4930
189: ok 4931
189: ok 4932
189: ok 4933
189: ok 4934
189: ok 4935
189: ok 4936
189: ok 4937
189: ok 4938
189: ok 4939
189: ok 4940
189: ok 4941
189: ok 4942
189: ok 4943
189: ok 4944
189: ok 4945
189: ok 4946
189: ok 4947
189: ok 4948
189: ok 4949
189: ok 4950
189: ok 4951
189: ok 4952
189: ok 4953
189: ok 4954
189: ok 4955
189: ok 4956
189: ok 4957
189: ok 4958
189: ok 4959
189: ok 4960
189: ok 4961
189: ok 4962
189: ok 4963
189: ok 4964
189: ok 4965
189: ok 4966
189: ok 4967
189: ok 4968
189: ok 4969
189: ok 4970
189: ok 4971
189: ok 4972
189: ok 4973
189: ok 4974
189: ok 4975
189: ok 4976
189: ok 4977
189: ok 4978
189: ok 4979
189: ok 4980
189: ok 4981
189: ok 4982
189: ok 4983
189: ok 4984
189: ok 4985
189: ok 4986
189: ok 4987
189: ok 4988
189: ok 4989
189: ok 4990
189: ok 4991
189: ok 4992
189: ok 4993
189: ok 4994
189: ok 4995
189: ok 4996
189: ok 4997
189: ok 4998
189: ok 4999
189: ok 5000
189: ok 5001
189: ok 5002
189: ok 5003
189: ok 5004
189: ok 5005
189: ok 5006
189: ok 5007
189: ok 5008
189: ok 5009
189: ok 5010
189: ok 5011
189: ok 5012
189: ok 5013
189: ok 5014
189: ok 5015
189: ok 5016
189: ok 5017
189: ok 5018
189: ok 5019
189: ok 5020
189: ok 5021
189: ok 5022
189: ok 5023
189: ok 5024
189: ok 5025
189: ok 5026
189: ok 5027
189: ok 5028
189: ok 5029
189: ok 5030
189: ok 5031
189: ok 5032
189: ok 5033
189: ok 5034
189: ok 5035
189: ok 5036
189: ok 5037
189: ok 5038
189: ok 5039
189: ok 5040
189: ok 5041
189: ok 5042
189: ok 5043
189: ok 5044
189: ok 5045
189: ok 5046
189: ok 5047
189: ok 5048
189: ok 5049
189: ok 5050
189: ok 5051
189: ok 5052
189: ok 5053
189: ok 5054
189: ok 5055
189: ok 5056
189: ok 5057
189: ok 5058
189: ok 5059
189: ok 5060
189: ok 5061
189: ok 5062
189: ok 5063
189: ok 5064
189: ok 5065
189: ok 5066
189: ok 5067
189: ok 5068
189: ok 5069
189: ok 5070
189: ok 5071
189: ok 5072
189: ok 5073
189: ok 5074
189: ok 5075
189: ok 5076
189: ok 5077
189: ok 5078
189: ok 5079
189: ok 5080
189: ok 5081
189: ok 5082
189: ok 5083
189: ok 5084
189: ok 5085
189: ok 5086
189: ok 5087
189: ok 5088
189: ok 5089
189: ok 5090
189: ok 5091
189: ok 5092
189: ok 5093
189: ok 5094
189: ok 5095
189: ok 5096
189: ok 5097
189: ok 5098
189: ok 5099
189: ok 5100
189: ok 5101
189: ok 5102
189: ok 5103
189: ok 5104
189: ok 5105
189: ok 5106
189: ok 5107
189: ok 5108
189: ok 5109
189: ok 5110
189: ok 5111
189: ok 5112
189: ok 5113
189: ok 5114
189: ok 5115
189: ok 5116
189: ok 5117
189: ok 5118
189: ok 5119
189: ok 5120
189: ok 5121
189: ok 5122
189: ok 5123
189: ok 5124
189: ok 5125
189: ok 5126
189: ok 5127
189: ok 5128
189: ok 5129
189: ok 5130
189: ok 5131
189: ok 5132
189: ok 5133
189: ok 5134
189: ok 5135
189: ok 5136
189: ok 5137
189: ok 5138
189: ok 5139
189: ok 5140
189: ok 5141
189: ok 5142
189: ok 5143
189: ok 5144
189: ok 5145
189: ok 5146
189: ok 5147
189: ok 5148
189: ok 5149
189: ok 5150
189: ok 5151
189: ok 5152
189: ok 5153
189: ok 5154
189: ok 5155
189: ok 5156
189: ok 5157
189: ok 5158
189: ok 5159
189: ok 5160
189: ok 5161
189: ok 5162
189: ok 5163
189: ok 5164
189: ok 5165
189: ok 5166
189: ok 5167
189: ok 5168
189: ok 5169
189: ok 5170
189: ok 5171
189: ok 5172
189: ok 5173
189: ok 5174
189: ok 5175
189: ok 5176
189: ok 5177
189: ok 5178
189: ok 5179
189: ok 5180
189: ok 5181
189: ok 5182
189: ok 5183
189: ok 5184
189: ok 5185
189: ok 5186
189: ok 5187
189: ok 5188
189: ok 5189
189: ok 5190
189: ok 5191
189: ok 5192
189: ok 5193
189: ok 5194
189: ok 5195
189: ok 5196
189: ok 5197
189: ok 5198
189: ok 5199
189: ok 5200
189: ok 5201
189: ok 5202
189: ok 5203
189: ok 5204
189: ok 5205
189: ok 5206
189: ok 5207
189: ok 5208
189: ok 5209
189: ok 5210
189: ok 5211
189: ok 5212
189: ok 5213
189: ok 5214
189: ok 5215
189: ok 5216
189: ok 5217
189: ok 5218
189: ok 5219
189: ok 5220
189: ok 5221
189: ok 5222
189: ok 5223
189: ok 5224
189: ok 5225
189: ok 5226
189: ok 5227
189: ok 5228
189: ok 5229
189: ok 5230
189: ok 5231
189: ok 5232
189: ok 5233
189: ok 5234
189: ok 5235
189: ok 5236
189: ok 5237
189: ok 5238
189: ok 5239
189: ok 5240
189: ok 5241
189: ok 5242
189: ok 5243
189: ok 5244
189: ok 5245
189: ok 5246
189: ok 5247
189: ok 5248
189: ok 5249
189: ok 5250
189: ok 5251
189: ok 5252
189: ok 5253
189: ok 5254
189: ok 5255
189: ok 5256
189: ok 5257
189: ok 5258
189: ok 5259
189: ok 5260
189: ok 5261
189: ok 5262
189: ok 5263
189: ok 5264
189: ok 5265
189: ok 5266
189: ok 5267
189: ok 5268
189: ok 5269
189: ok 5270
189: ok 5271
189: ok 5272
189: ok 5273
189: ok 5274
189: ok 5275
189: ok 5276
189: ok 5277
189: ok 5278
189: ok 5279
189: ok 5280
189: ok 5281
189: ok 5282
189: ok 5283
189: ok 5284
189: ok 5285
189: ok 5286
189: ok 5287
189: ok 5288
189: ok 5289
189: ok 5290
189: ok 5291
189: ok 5292
189: ok 5293
189: ok 5294
189: ok 5295
189: ok 5296
189: ok 5297
189: ok 5298
189: ok 5299
189: ok 5300
189: ok 5301
189: ok 5302
189: ok 5303
189: ok 5304
189: ok 5305
189: ok 5306
189: ok 5307
189: ok 5308
189: ok 5309
189: ok 5310
189: ok 5311
189: ok 5312
189: ok 5313
189: ok 5314
189: ok 5315
189: ok 5316
189: ok 5317
189: ok 5318
189: ok 5319
189: ok 5320
189: ok 5321
189: ok 5322
189: ok 5323
189: ok 5324
189: ok 5325
189: ok 5326
189: ok 5327
189: ok 5328
189: ok 5329
189: ok 5330
189: ok 5331
189: ok 5332
189: ok 5333
189: ok 5334
189: ok 5335
189: ok 5336
189: ok 5337
189: ok 5338
189: ok 5339
189: ok 5340
189: ok 5341
189: ok 5342
189: ok 5343
189: ok 5344
189: ok 5345
189: ok 5346
189: ok 5347
189: ok 5348
189: ok 5349
189: ok 5350
189: ok 5351
189: ok 5352
189: ok 5353
189: ok 5354
189: ok 5355
189: ok 5356
189: ok 5357
189: ok 5358
189: ok 5359
189: ok 5360
189: ok 5361
189: ok 5362
189: ok 5363
189: ok 5364
189: ok 5365
189: ok 5366
189: ok 5367
189: ok 5368
189: ok 5369
189: ok 5370
189: ok 5371
189: ok 5372
189: ok 5373
189: ok 5374
189: ok 5375
189: ok 5376
189: ok 5377
189: ok 5378
189: ok 5379
189: ok 5380
189: ok 5381
189: ok 5382
189: ok 5383
189: ok 5384
189: ok 5385
189: ok 5386
189: ok 5387
189: ok 5388
189: ok 5389
189: ok 5390
189: ok 5391
189: ok 5392
189: ok 5393
189: ok 5394
189: ok 5395
189: ok 5396
189: ok 5397
189: ok 5398
189: ok 5399
189: ok 5400
189: ok 5401
189: ok 5402
189: ok 5403
189: ok 5404
189: ok 5405
189: ok 5406
189: ok 5407
189: ok 5408
189: ok 5409
189: ok 5410
189: ok 5411
189: ok 5412
189: ok 5413
189: ok 5414
189: ok 5415
189: ok 5416
189: ok 5417
189: ok 5418
189: ok 5419
189: ok 5420
189: ok 5421
189: ok 5422
189: ok 5423
189: ok 5424
189: ok 5425
189: ok 5426
189: ok 5427
189: ok 5428
189: ok 5429
189: ok 5430
189: ok 5431
189: ok 5432
189: ok 5433
189: ok 5434
189: ok 5435
189: ok 5436
189: ok 5437
189: ok 5438
189: ok 5439
189: ok 5440
189: ok 5441
189: ok 5442
189: ok 5443
189: ok 5444
189: ok 5445
189: ok 5446
189: ok 5447
189: ok 5448
189: ok 5449
189: ok 5450
189: ok 5451
189: ok 5452
189: ok 5453
189: ok 5454
189: ok 5455
189: ok 5456
189: ok 5457
189: ok 5458
189: ok 5459
189: ok 5460
189: ok 5461
189: ok 5462
189: ok 5463
189: ok 5464
189: ok 5465
189: ok 5466
189: ok 5467
189: ok 5468
189: ok 5469
189: ok 5470
189: ok 5471
189: ok 5472
189: ok 5473
189: ok 5474
189: ok 5475
189: ok 5476
189: ok 5477
189: ok 5478
189: ok 5479
189: ok 5480
189: ok 5481
189: ok 5482
189: ok 5483
189: ok 5484
189: ok 5485
189: ok 5486
189: ok 5487
189: ok 5488
189: ok 5489
189: ok 5490
189: ok 5491
189: ok 5492
189: ok 5493
189: ok 5494
189: ok 5495
189: ok 5496
189: ok 5497
189: ok 5498
189: ok 5499
189: ok 5500
189: ok 5501
189: ok 5502
189: ok 5503
189: ok 5504
189: ok 5505
189: ok 5506
189: ok 5507
189: ok 5508
189: ok 5509
189: ok 5510
189: ok 5511
189: ok 5512
189: ok 5513
189: ok 5514
189: ok 5515
189: ok 5516
189: ok 5517
189: ok 5518
189: ok 5519
189: ok 5520
189: ok 5521
189: ok 5522
189: ok 5523
189: ok 5524
189: ok 5525
189: ok 5526
189: ok 5527
189: ok 5528
189: ok 5529
189: ok 5530
189: ok 5531
189: ok 5532
189: ok 5533
189: ok 5534
189: ok 5535
189: ok 5536
189: ok 5537
189: ok 5538
189: ok 5539
189: ok 5540
189: ok 5541
189: ok 5542
189: ok 5543
189: ok 5544
189: ok 5545
189: ok 5546
189: ok 5547
189: ok 5548
189: ok 5549
189: ok 5550
189: ok 5551
189: ok 5552
189: ok 5553
189: ok 5554
189: ok 5555
189: ok 5556
189: ok 5557
189: ok 5558
189: ok 5559
189: ok 5560
189: ok 5561
189: ok 5562
189: ok 5563
189: ok 5564
189: ok 5565
189: ok 5566
189: ok 5567
189: ok 5568
189: ok 5569
189: ok 5570
189: ok 5571
189: ok 5572
189: ok 5573
189: ok 5574
189: ok 5575
189: ok 5576
189: ok 5577
189: ok 5578
189: ok 5579
189: ok 5580
189: ok 5581
189: ok 5582
189: ok 5583
189: ok 5584
189: ok 5585
189: ok 5586
189: ok 5587
189: ok 5588
189: ok 5589
189: ok 5590
189: ok 5591
189: ok 5592
189: ok 5593
189: ok 5594
189: ok 5595
189: ok 5596
189: ok 5597
189: ok 5598
189: ok 5599
189: ok 5600
189: ok 5601
189: ok 5602
189: ok 5603
189: ok 5604
189: ok 5605
189: ok 5606
189: ok 5607
189: ok 5608
189: ok 5609
189: ok 5610
189: ok 5611
189: ok 5612
189: ok 5613
189: ok 5614
189: ok 5615
189: ok 5616
189: ok 5617
189: ok 5618
189: ok 5619
189: ok 5620
189: ok 5621
189: ok 5622
189: ok 5623
189: ok 5624
189: ok 5625
189: ok 5626
189: ok 5627
189: ok 5628
189: ok 5629
189: ok 5630
189: ok 5631
189: ok 5632
189: ok 5633
189: ok 5634
189: ok 5635
189: ok 5636
189: ok 5637
189: ok 5638
189: ok 5639
189: ok 5640
189: ok 5641
189: ok 5642
189: ok 5643
189: ok 5644
189: ok 5645
189: ok 5646
189: ok 5647
189: ok 5648
189: ok 5649
189: ok 5650
189: ok 5651
189: ok 5652
189: ok 5653
189: ok 5654
189: ok 5655
189: ok 5656
189: ok 5657
189: ok 5658
189: ok 5659
189: ok 5660
189: ok 5661
189: ok 5662
189: ok 5663
189: ok 5664
189: ok 5665
189: ok 5666
189: ok 5667
189: ok 5668
189: ok 5669
189: ok 5670
189: ok 5671
189: ok 5672
189: ok 5673
189: ok 5674
189: ok 5675
189: ok 5676
189: ok 5677
189: ok 5678
189: ok 5679
189: ok 5680
189: ok 5681
189: ok 5682
189: ok 5683
189: ok 5684
189: ok 5685
189: ok 5686
189: ok 5687
189: ok 5688
189: ok 5689
189: ok 5690
189: ok 5691
189: ok 5692
189: ok 5693
189: ok 5694
189: ok 5695
189: ok 5696
189: ok 5697
189: ok 5698
189: ok 5699
189: ok 5700
189: ok 5701
189: ok 5702
189: ok 5703
189: ok 5704
189: ok 5705
189: ok 5706
189: ok 5707
189: ok 5708
189: ok 5709
189: ok 5710
189: ok 5711
189: ok 5712
189: ok 5713
189: ok 5714
189: ok 5715
189: ok 5716
189: ok 5717
189: ok 5718
189: ok 5719
189: ok 5720
189: ok 5721
189: ok 5722
189: ok 5723
189: ok 5724
189: ok 5725
189: ok 5726
189: ok 5727
189: ok 5728
189: ok 5729
189: ok 5730
189: ok 5731
189: ok 5732
189: ok 5733
189: ok 5734
189: ok 5735
189: ok 5736
189: ok 5737
189: ok 5738
189: ok 5739
189: ok 5740
189: ok 5741
189: ok 5742
189: ok 5743
189: ok 5744
189: ok 5745
189: ok 5746
189: ok 5747
189: ok 5748
189: ok 5749
189: ok 5750
189: ok 5751
189: ok 5752
189: ok 5753
189: ok 5754
189: ok 5755
189: ok 5756
189: ok 5757
189: ok 5758
189: ok 5759
189: ok 5760
189: ok 5761
189: ok 5762
189: ok 5763
189: ok 5764
189: ok 5765
189: ok 5766
189: ok 5767
189: ok 5768
189: ok 5769
189: ok 5770
189: ok 5771
189: ok 5772
189: ok 5773
189: ok 5774
189: ok 5775
189: ok 5776
189: ok 5777
189: ok 5778
189: ok 5779
189: ok 5780
189: ok 5781
189: ok 5782
189: ok 5783
189: ok 5784
189: ok 5785
189: ok 5786
189: ok 5787
189: ok 5788
189: ok 5789
189: ok 5790
189: ok 5791
189: ok 5792
189: ok 5793
189: ok 5794
189: ok 5795
189: ok 5796
189: ok 5797
189: ok 5798
189: ok 5799
189: ok 5800
189: ok 5801
189: ok 5802
189: ok 5803
189: ok 5804
189: ok 5805
189: ok 5806
189: ok 5807
189: ok 5808
189: ok 5809
189: ok 5810
189: ok 5811
189: ok 5812
189: ok 5813
189: ok 5814
189: ok 5815
189: ok 5816
189: ok 5817
189: ok 5818
189: ok 5819
189: ok 5820
189: ok 5821
189: ok 5822
189: ok 5823
189: ok 5824
189: ok 5825
189: ok 5826
189: ok 5827
189: ok 5828
189: ok 5829
189: ok 5830
189: ok 5831
189: ok 5832
189: ok 5833
189: ok 5834
189: ok 5835
189: ok 5836
189: ok 5837
189: ok 5838
189: ok 5839
189: ok 5840
189: ok 5841
189: ok 5842
189: ok 5843
189: ok 5844
189: ok 5845
189: ok 5846
189: ok 5847
189: ok 5848
189: ok 5849
189: ok 5850
189: ok 5851
189: ok 5852
189: ok 5853
189: ok 5854
189: ok 5855
189: ok 5856
189: ok 5857
189: ok 5858
189: ok 5859
189: ok 5860
189: ok 5861
189: ok 5862
189: ok 5863
189: ok 5864
189: ok 5865
189: ok 5866
189: ok 5867
189: ok 5868
189: ok 5869
189: ok 5870
189: ok 5871
189: ok 5872
189: ok 5873
189: ok 5874
189: ok 5875
189: ok 5876
189: ok 5877
189: ok 5878
189: ok 5879
189: ok 5880
189: ok 5881
189: ok 5882
189: ok 5883
189: ok 5884
189: ok 5885
189: ok 5886
189: ok 5887
189: ok 5888
189: ok 5889
189: ok 5890
189: ok 5891
189: ok 5892
189: ok 5893
189: ok 5894
189: ok 5895
189: ok 5896
189: ok 5897
189: ok 5898
189: ok 5899
189: ok 5900
189: ok 5901
189: ok 5902
189: ok 5903
189: ok 5904
189: ok 5905
189: ok 5906
189: ok 5907
189: ok 5908
189: ok 5909
189: ok 5910
189: ok 5911
189: ok 5912
189: ok 5913
189: ok 5914
189: ok 5915
189: ok 5916
189: ok 5917
189: ok 5918
189: ok 5919
189: ok 5920
189: ok 5921
189: ok 5922
189: ok 5923
189: ok 5924
189: ok 5925
189: ok 5926
189: ok 5927
189: ok 5928
189: ok 5929
189: ok 5930
189: ok 5931
189: ok 5932
189: ok 5933
189: ok 5934
189: ok 5935
189: ok 5936
189: ok 5937
189: ok 5938
189: ok 5939
189: ok 5940
189: ok 5941
189: ok 5942
189: ok 5943
189: ok 5944
189: ok 5945
189: ok 5946
189: ok 5947
189: ok 5948
189: ok 5949
189: ok 5950
189: ok 5951
189: ok 5952
189: ok 5953
189: ok 5954
189: ok 5955
189: ok 5956
189: ok 5957
189: ok 5958
189: ok 5959
189: ok 5960
189: ok 5961
189: ok 5962
189: ok 5963
189: ok 5964
189: ok 5965
189: ok 5966
189: ok 5967
189: ok 5968
189: ok 5969
189: ok 5970
189: ok 5971
189: ok 5972
189: ok 5973
189: ok 5974
189: ok 5975
189: ok 5976
189: ok 5977
189: ok 5978
189: ok 5979
189: ok 5980
189: ok 5981
189: ok 5982
189: ok 5983
189: ok 5984
189: ok 5985
189: ok 5986
189: ok 5987
189: ok 5988
189: ok 5989
189: ok 5990
189: ok 5991
189: ok 5992
189: ok 5993
189: ok 5994
189: ok 5995
189: ok 5996
189: ok 5997
189: ok 5998
189: ok 5999
189: ok 6000
189: ok 6001
189: ok 6002
189: ok 6003
189: ok 6004
189: ok 6005
189: ok 6006
189: ok 6007
189: ok 6008
189: ok 6009
189: ok 6010
189: ok 6011
189: ok 6012
189: ok 6013
189: ok 6014
189: ok 6015
189: ok 6016
189: ok 6017
189: ok 6018
189: ok 6019
189: ok 6020
189: ok 6021
189: ok 6022
189: ok 6023
189: ok 6024
189: ok 6025
189: ok 6026
189: ok 6027
189: ok 6028
189: ok 6029
189: ok 6030
189: ok 6031
189: ok 6032
189: ok 6033
189: ok 6034
189: ok 6035
189: ok 6036
189: ok 6037
189: ok 6038
189: ok 6039
189: ok 6040
189: ok 6041
189: ok 6042
189: ok 6043
189: ok 6044
189: ok 6045
189: ok 6046
189: ok 6047
189: ok 6048
189: ok 6049
189: ok 6050
189: ok 6051
189: ok 6052
189: ok 6053
189: ok 6054
189: ok 6055
189: ok 6056
189: ok 6057
189: ok 6058
189: ok 6059
189: ok 6060
189: ok 6061
189: ok 6062
189: ok 6063
189: ok 6064
189: ok 6065
189: ok 6066
189: ok 6067
189: ok 6068
189: ok 6069
189: ok 6070
189: ok 6071
189: ok 6072
189: ok 6073
189: ok 6074
189: ok 6075
189: ok 6076
189: ok 6077
189: ok 6078
189: ok 6079
189: ok 6080
189: ok 6081
189: ok 6082
189: ok 6083
189: ok 6084
189: ok 6085
189: ok 6086
189: ok 6087
189: ok 6088
189: ok 6089
189: ok 6090
189: ok 6091
189: ok 6092
189: ok 6093
189: ok 6094
189: ok 6095
189: ok 6096
189: ok 6097
189: ok 6098
189: ok 6099
189: ok 6100
189: ok 6101
189: ok 6102
189: ok 6103
189: ok 6104
189: ok 6105
189: ok 6106
189: ok 6107
189: ok 6108
189: ok 6109
189: ok 6110
189: ok 6111
189: ok 6112
189: ok 6113
189: ok 6114
189: ok 6115
189: ok 6116
189: ok 6117
189: ok 6118
189: ok 6119
189: ok 6120
189: ok 6121
189: ok 6122
189: ok 6123
189: ok 6124
189: ok 6125
189: ok 6126
189: ok 6127
189: ok 6128
189: ok 6129
189: ok 6130
189: ok 6131
189: ok 6132
189: ok 6133
189: ok 6134
189: ok 6135
189: ok 6136
189: ok 6137
189: ok 6138
189: ok 6139
189: ok 6140
189: ok 6141
189: ok 6142
189: ok 6143
189: ok 6144
189: ok 6145
189: ok 6146
189: ok 6147
189: ok 6148
189: ok 6149
189: ok 6150
189: ok 6151
189: ok 6152
189: ok 6153
189: ok 6154
189: ok 6155
189: ok 6156
189: ok 6157
189: ok 6158
189: ok 6159
189: ok 6160
189: ok 6161
189: ok 6162
189: ok 6163
189: ok 6164
189: ok 6165
189: ok 6166
189: ok 6167
189: ok 6168
189: ok 6169
189: ok 6170
189: ok 6171
189: ok 6172
189: ok 6173
189: ok 6174
189: ok 6175
189: ok 6176
189: ok 6177
189: ok 6178
189: ok 6179
189: ok 6180
189: ok 6181
189: ok 6182
189: ok 6183
189: ok 6184
189: ok 6185
189: ok 6186
189: ok 6187
189: ok 6188
189: ok 6189
189: ok 6190
189: ok 6191
189: ok 6192
189: ok 6193
189: ok 6194
189: ok 6195
189: ok 6196
189: ok 6197
189: ok 6198
189: ok 6199
189: ok 6200
189: ok 6201
189: ok 6202
189: ok 6203
189: ok 6204
189: ok 6205
189: ok 6206
189: ok 6207
189: ok 6208
189: ok 6209
189: ok 6210
189: ok 6211
189: ok 6212
189: ok 6213
189: ok 6214
189: ok 6215
189: ok 6216
189: ok 6217
189: ok 6218
189: ok 6219
189: ok 6220
189: ok 6221
189: ok 6222
189: ok 6223
189: ok 6224
189: ok 6225
189: ok 6226
189: ok 6227
189: ok 6228
189: ok 6229
189: ok 6230
189: ok 6231
189: ok 6232
189: ok 6233
189: ok 6234
189: ok 6235
189: ok 6236
189: ok 6237
189: ok 6238
189: ok 6239
189: ok 6240
189: ok 6241
189: ok 6242
189: ok 6243
189: ok 6244
189: ok 6245
189: ok 6246
189: ok 6247
189: ok 6248
189: ok 6249
189: ok 6250
189: ok 6251
189: ok 6252
189: ok 6253
189: ok 6254
189: ok 6255
189: ok 6256
189: ok 6257
189: ok 6258
189: ok 6259
189: ok 6260
189: ok 6261
189: ok 6262
189: ok 6263
189: ok 6264
189: ok 6265
189: ok 6266
189: ok 6267
189: ok 6268
189: ok 6269
189: ok 6270
189: ok 6271
189: ok 6272
189: ok 6273
189: ok 6274
189: ok 6275
189: ok 6276
189: ok 6277
189: ok 6278
189: ok 6279
189: ok 6280
189: ok 6281
189: ok 6282
189: ok 6283
189: ok 6284
189: ok 6285
189: ok 6286
189: ok 6287
189: ok 6288
189: ok 6289
189: ok 6290
189: ok 6291
189: ok 6292
189: ok 6293
189: ok 6294
189: ok 6295
189: ok 6296
189: ok 6297
189: ok 6298
189: ok 6299
189: ok 6300
189: ok 6301
189: ok 6302
189: ok 6303
189: ok 6304
189: ok 6305
189: ok 6306
189: ok 6307
189: ok 6308
189: ok 6309
189: ok 6310
189: ok 6311
189: ok 6312
189: ok 6313
189: ok 6314
189: ok 6315
189: ok 6316
189: ok 6317
189: ok 6318
189: ok 6319
189: ok 6320
189: ok 6321
189: ok 6322
189: ok 6323
189: ok 6324
189: ok 6325
189: ok 6326
189: ok 6327
189: ok 6328
189: ok 6329
189: ok 6330
189: ok 6331
189: ok 6332
189: ok 6333
189: ok 6334
189: ok 6335
189: ok 6336
189: ok 6337
189: ok 6338
189: ok 6339
189: ok 6340
189: ok 6341
189: ok 6342
189: ok 6343
189: ok 6344
189: ok 6345
189: ok 6346
189: ok 6347
189: ok 6348
189: ok 6349
189: ok 6350
189: ok 6351
189: ok 6352
189: ok 6353
189: ok 6354
189: ok 6355
189: ok 6356
189: ok 6357
189: ok 6358
189: ok 6359
189: ok 6360
189: ok 6361
189: ok 6362
189: ok 6363
189: ok 6364
189: ok 6365
189: ok 6366
189: ok 6367
189: ok 6368
189: ok 6369
189: ok 6370
189: ok 6371
189: ok 6372
189: ok 6373
189: ok 6374
189: ok 6375
189: ok 6376
189: ok 6377
189: ok 6378
189: ok 6379
189: ok 6380
189: ok 6381
189: ok 6382
189: ok 6383
189: ok 6384
189: ok 6385
189: ok 6386
189: ok 6387
189: ok 6388
189: ok 6389
189: ok 6390
189: ok 6391
189: ok 6392
189: ok 6393
189: ok 6394
189: ok 6395
189: ok 6396
189: ok 6397
189: ok 6398
189: ok 6399
189: ok 6400
189: ok 6401
189: ok 6402
189: ok 6403
189: ok 6404
189: ok 6405
189: ok 6406
189: ok 6407
189: ok 6408
189: ok 6409
189: ok 6410
189: ok 6411
189: ok 6412
189: ok 6413
189: ok 6414
189: ok 6415
189: ok 6416
189: ok 6417
189: ok 6418
189: ok 6419
189: ok 6420
189: ok 6421
189: ok 6422
189: ok 6423
189: ok 6424
189: ok 6425
189: ok 6426
189: ok 6427
189: ok 6428
189: ok 6429
189: ok 6430
189: ok 6431
189: ok 6432
189: ok 6433
189: ok 6434
189: ok 6435
189: ok 6436
189: ok 6437
189: ok 6438
189: ok 6439
189: ok 6440
189: ok 6441
189: ok 6442
189: ok 6443
189: ok 6444
189: ok 6445
189: ok 6446
189: ok 6447
189: ok 6448
189: ok 6449
189: ok 6450
189: ok 6451
189: ok 6452
189: ok 6453
189: ok 6454
189: ok 6455
189: ok 6456
189: ok 6457
189: ok 6458
189: ok 6459
189: ok 6460
189: ok 6461
189: ok 6462
189: ok 6463
189: ok 6464
189: ok 6465
189: ok 6466
189: ok 6467
189: ok 6468
189: ok 6469
189: ok 6470
189: ok 6471
189: ok 6472
189: ok 6473
189: ok 6474
189: ok 6475
189: ok 6476
189: ok 6477
189: ok 6478
189: ok 6479
189: ok 6480
189: ok 6481
189: ok 6482
189: ok 6483
189: ok 6484
189: ok 6485
189: ok 6486
189: ok 6487
189: ok 6488
189: ok 6489
189: ok 6490
189: ok 6491
189: ok 6492
189: ok 6493
189: ok 6494
189: ok 6495
189: ok 6496
189: ok 6497
189: ok 6498
189: ok 6499
189: ok 6500
189: ok 6501
189: ok 6502
189: ok 6503
189: ok 6504
189: ok 6505
189: ok 6506
189: ok 6507
189: ok 6508
189: ok 6509
189: ok 6510
189: ok 6511
189: ok 6512
189: ok 6513
189: ok 6514
189: ok 6515
189: ok 6516
189: ok 6517
189: ok 6518
189: ok 6519
189: ok 6520
189: ok 6521
189: ok 6522
189: ok 6523
189: ok 6524
189: ok 6525
189: ok 6526
189: ok 6527
189: ok 6528
189: ok 6529
189: ok 6530
189: ok 6531
189: ok 6532
189: ok 6533
189: ok 6534
189: ok 6535
189: ok 6536
189: ok 6537
189: ok 6538
189: ok 6539
189: ok 6540
189: ok 6541
189: ok 6542
189: ok 6543
189: ok 6544
189: ok 6545
189: ok 6546
189: ok 6547
189: ok 6548
189: ok 6549
189: ok 6550
189: ok 6551
189: ok 6552
189: ok 6553
189: ok 6554
189: ok 6555
189: ok 6556
189: ok 6557
189: ok 6558
189: ok 6559
189: ok 6560
189: ok 6561
189: ok 6562
189: ok 6563
189: ok 6564
189: ok 6565
189: ok 6566
189: ok 6567
189: ok 6568
189: ok 6569
189: ok 6570
189: ok 6571
189: ok 6572
189: ok 6573
189: ok 6574
189: ok 6575
189: ok 6576
189: ok 6577
189: ok 6578
189: ok 6579
189: ok 6580
189: ok 6581
189: ok 6582
189: ok 6583
189: ok 6584
189: ok 6585
189: ok 6586
189: ok 6587
189: ok 6588
189: ok 6589
189: ok 6590
189: ok 6591
189: ok 6592
189: ok 6593
189: ok 6594
189: ok 6595
189: ok 6596
189: ok 6597
189: ok 6598
189: ok 6599
189: ok 6600
189: ok 6601
189: ok 6602
189: ok 6603
189: ok 6604
189: ok 6605
189: ok 6606
189: ok 6607
189: ok 6608
189: ok 6609
189: ok 6610
189: ok 6611
189: ok 6612
189: ok 6613
189: ok 6614
189: ok 6615
189: ok 6616
189: ok 6617
189: ok 6618
189: ok 6619
189: ok 6620
189: ok 6621
189: ok 6622
189: ok 6623
189: ok 6624
189: ok 6625
189: ok 6626
189: ok 6627
189: ok 6628
189: ok 6629
189: ok 6630
189: ok 6631
189: ok 6632
189: ok 6633
189: ok 6634
189: ok 6635
189: ok 6636
189: ok 6637
189: ok 6638
189: ok 6639
189: ok 6640
189: ok 6641
189: ok 6642
189: ok 6643
189: ok 6644
189: ok 6645
189: ok 6646
189: ok 6647
189: ok 6648
189: ok 6649
189: ok 6650
189: ok 6651
189: ok 6652
189: ok 6653
189: ok 6654
189: ok 6655
189: ok 6656
189: ok 6657
189: ok 6658
189: ok 6659
189: ok 6660
189: ok 6661
189: ok 6662
189: ok 6663
189: ok 6664
189: ok 6665
189: ok 6666
189: ok 6667
189: ok 6668
189: ok 6669
189: ok 6670
189: ok 6671
189: ok 6672
189: ok 6673
189: ok 6674
189: ok 6675
189: ok 6676
189: ok 6677
189: ok 6678
189: ok 6679
189: ok 6680
189: ok 6681
189: ok 6682
189: ok 6683
189: ok 6684
189: ok 6685
189: ok 6686
189: ok 6687
189: ok 6688
189: ok 6689
189: ok 6690
189: ok 6691
189: ok 6692
189: ok 6693
189: ok 6694
189: ok 6695
189: ok 6696
189: ok 6697
189: ok 6698
189: ok 6699
189: ok 6700
189: ok 6701
189: ok 6702
189: ok 6703
189: ok 6704
189: ok 6705
189: ok 6706
189: ok 6707
189: ok 6708
189: ok 6709
189: ok 6710
189: ok 6711
189: ok 6712
189: ok 6713
189: ok 6714
189: ok 6715
189: ok 6716
189: ok 6717
189: ok 6718
189: ok 6719
189: ok 6720
189: ok 6721
189: ok 6722
189: ok 6723
189: ok 6724
189: ok 6725
189: ok 6726
189: ok 6727
189: ok 6728
189: ok 6729
189: ok 6730
189: ok 6731
189: ok 6732
189: ok 6733
189: ok 6734
189: ok 6735
189: ok 6736
189: ok 6737
189: ok 6738
189: ok 6739
189: ok 6740
189: ok 6741
189: ok 6742
189: ok 6743
189: ok 6744
189: ok 6745
189: ok 6746
189: ok 6747
189: ok 6748
189: ok 6749
189: ok 6750
189: ok 6751
189: ok 6752
189: ok 6753
189: ok 6754
189: ok 6755
189: ok 6756
189: ok 6757
189: ok 6758
189: ok 6759
189: ok 6760
189: ok 6761
189: ok 6762
189: ok 6763
189: ok 6764
189: ok 6765
189: ok 6766
189: ok 6767
189: ok 6768
189: ok 6769
189: ok 6770
189: ok 6771
189: ok 6772
189: ok 6773
189: ok 6774
189: ok 6775
189: ok 6776
189: ok 6777
189: ok 6778
189: ok 6779
189: ok 6780
189: ok 6781
189: ok 6782
189: ok 6783
189: ok 6784
189: ok 6785
189: ok 6786
189: ok 6787
189: ok 6788
189: ok 6789
189: ok 6790
189: ok 6791
189: ok 6792
189: ok 6793
189: ok 6794
189: ok 6795
189: ok 6796
189: ok 6797
189: ok 6798
189: ok 6799
189: ok 6800
189: ok 6801
189: ok 6802
189: ok 6803
189: ok 6804
189: ok 6805
189: ok 6806
189: ok 6807
189: ok 6808
189: ok 6809
189: ok 6810
189: ok 6811
189: ok 6812
189: ok 6813
189: ok 6814
189: ok 6815
189: ok 6816
189: ok 6817
189: ok 6818
189: ok 6819
189: ok 6820
189: ok 6821
189: ok 6822
189: ok 6823
189: ok 6824
189: ok 6825
189: ok 6826
189: ok 6827
189: ok 6828
189: ok 6829
189: ok 6830
189: ok 6831
189: ok 6832
189: ok 6833
189: ok 6834
189: ok 6835
189: ok 6836
189: ok 6837
189: ok 6838
189: ok 6839
189: ok 6840
189: ok 6841
189: ok 6842
189: ok 6843
189: ok 6844
189: ok 6845
189: ok 6846
189: ok 6847
189: ok 6848
189: ok 6849
189: ok 6850
189: ok 6851
189: ok 6852
189: ok 6853
189: ok 6854
189: ok 6855
189: ok 6856
189: ok 6857
189: ok 6858
189: ok 6859
189: ok 6860
189: ok 6861
189: ok 6862
189: ok 6863
189: ok 6864
189: ok 6865
189: ok 6866
189: ok 6867
189: ok 6868
189: ok 6869
189: ok 6870
189: ok 6871
189: ok 6872
189: ok 6873
189: ok 6874
189: ok 6875
189: ok 6876
189: ok 6877
189: ok 6878
189: ok 6879
189: ok 6880
189: ok 6881
189: ok 6882
189: ok 6883
189: ok 6884
189: ok 6885
189: ok 6886
189: ok 6887
189: ok 6888
189: ok 6889
189: ok 6890
189: ok 6891
189: ok 6892
189: ok 6893
189: ok 6894
189: ok 6895
189: ok 6896
189: ok 6897
189: ok 6898
189: ok 6899
189: ok 6900
189: ok 6901
189: ok 6902
189: ok 6903
189: ok 6904
189: ok 6905
189: ok 6906
189: ok 6907
189: ok 6908
189: ok 6909
189: ok 6910
189: ok 6911
189: ok 6912
189: ok 6913
189: ok 6914
189: ok 6915
189: ok 6916
189: ok 6917
189: ok 6918
189: ok 6919
189: ok 6920
189: ok 6921
189: ok 6922
189: ok 6923
189: ok 6924
189: ok 6925
189: ok 6926
189: ok 6927
189: ok 6928
189: ok 6929
189: ok 6930
189: ok 6931
189: ok 6932
189: ok 6933
189: ok 6934
189: ok 6935
189: ok 6936
189: ok 6937
189: ok 6938
189: ok 6939
189: ok 6940
189: ok 6941
189: ok 6942
189: ok 6943
189: ok 6944
189: ok 6945
189: ok 6946
189: ok 6947
189: ok 6948
189: ok 6949
189: ok 6950
189: ok 6951
189: ok 6952
189: ok 6953
189: ok 6954
189: ok 6955
189: ok 6956
189: ok 6957
189: ok 6958
189: ok 6959
189: ok 6960
189: ok 6961
189: ok 6962
189: ok 6963
189: ok 6964
189: ok 6965
189: ok 6966
189: ok 6967
189: ok 6968
189: ok 6969
189: ok 6970
189: ok 6971
189: ok 6972
189: ok 6973
189: ok 6974
189: ok 6975
189: ok 6976
189: ok 6977
189: ok 6978
189: ok 6979
189: ok 6980
189: ok 6981
189: ok 6982
189: ok 6983
189: ok 6984
189: ok 6985
189: ok 6986
189: ok 6987
189: ok 6988
189: ok 6989
189: ok 6990
189: ok 6991
189: ok 6992
189: ok 6993
189: ok 6994
189: ok 6995
189: ok 6996
189: ok 6997
189: ok 6998
189: ok 6999
189: ok 7000
189: ok 7001
189: ok 7002
189: ok 7003
189: ok 7004
189: ok 7005
189: ok 7006
189: ok 7007
189: ok 7008
189: ok 7009
189: ok 7010
189: ok 7011
189: ok 7012
189: ok 7013
189: ok 7014
189: ok 7015
189: ok 7016
189: ok 7017
189: ok 7018
189: ok 7019
189: ok 7020
189: ok 7021
189: ok 7022
189: ok 7023
189: ok 7024
189: ok 7025
189: ok 7026
189: ok 7027
189: ok 7028
189: ok 7029
189: ok 7030
189: ok 7031
189: ok 7032
189: ok 7033
189: ok 7034
189: ok 7035
189: ok 7036
189: ok 7037
189: ok 7038
189: ok 7039
189: ok 7040
189: ok 7041
189: ok 7042
189: ok 7043
189: ok 7044
189: ok 7045
189: ok 7046
189: ok 7047
189: ok 7048
189: ok 7049
189: ok 7050
189: ok 7051
189: ok 7052
189: ok 7053
189: ok 7054
189: ok 7055
189: ok 7056
189: ok 7057
189: ok 7058
189: ok 7059
189: ok 7060
189: ok 7061
189: ok 7062
189: ok 7063
189: ok 7064
189: ok 7065
189: ok 7066
189: ok 7067
189: ok 7068
189: ok 7069
189: ok 7070
189: ok 7071
189: ok 7072
189: ok 7073
189: ok 7074
189: ok 7075
189: ok 7076
189: ok 7077
189: ok 7078
189: ok 7079
189: ok 7080
189: ok 7081
189: ok 7082
189: ok 7083
189: ok 7084
189: ok 7085
189: ok 7086
189: ok 7087
189: ok 7088
189: ok 7089
189: ok 7090
189: ok 7091
189: ok 7092
189: ok 7093
189: ok 7094
189: ok 7095
189: ok 7096
189: ok 7097
189: ok 7098
189: ok 7099
189: ok 7100
189: ok 7101
189: ok 7102
189: ok 7103
189: ok 7104
189: ok 7105
189: ok 7106
189: ok 7107
189: ok 7108
189: ok 7109
189: ok 7110
189: ok 7111
189: ok 7112
189: ok 7113
189: ok 7114
189: ok 7115
189: ok 7116
189: ok 7117
189: ok 7118
189: ok 7119
189: ok 7120
189: ok 7121
189: ok 7122
189: ok 7123
189: ok 7124
189: ok 7125
189: ok 7126
189: ok 7127
189: ok 7128
189: ok 7129
189: ok 7130
189: ok 7131
189: ok 7132
189: ok 7133
189: ok 7134
189: ok 7135
189: ok 7136
189: ok 7137
189: ok 7138
189: ok 7139
189: ok 7140
189: ok 7141
189: ok 7142
189: ok 7143
189: ok 7144
189: ok 7145
189: ok 7146
189: ok 7147
189: ok 7148
189: ok 7149
189: ok 7150
189: ok 7151
189: ok 7152
189: ok 7153
189: ok 7154
189: ok 7155
189: ok 7156
189: ok 7157
189: ok 7158
189: ok 7159
189: ok 7160
189: ok 7161
189: ok 7162
189: ok 7163
189: ok 7164
189: ok 7165
189: ok 7166
189: ok 7167
189: ok 7168
189: ok 7169
189: ok 7170
189: ok 7171
189: ok 7172
189: ok 7173
189: ok 7174
189: ok 7175
189: ok 7176
189: ok 7177
189: ok 7178
189: ok 7179
189: ok 7180
189: ok 7181
189: ok 7182
189: ok 7183
189: ok 7184
189: ok 7185
189: ok 7186
189: ok 7187
189: ok 7188
189: ok 7189
189: ok 7190
189: ok 7191
189: ok 7192
189: ok 7193
189: ok 7194
189: ok 7195
189: ok 7196
189: ok 7197
189: ok 7198
189: ok 7199
189: ok 7200
189: ok 7201
189: ok 7202
189: ok 7203
189: ok 7204
189: ok 7205
189: ok 7206
189: ok 7207
189: ok 7208
189: ok 7209
189: ok 7210
189: ok 7211
189: ok 7212
189: ok 7213
189: ok 7214
189: ok 7215
189: ok 7216
189: ok 7217
189: ok 7218
189: ok 7219
189: ok 7220
189: ok 7221
189: ok 7222
189: ok 7223
189: ok 7224
189: ok 7225
189: ok 7226
189: ok 7227
189: ok 7228
189: ok 7229
189: ok 7230
189: ok 7231
189: ok 7232
189: ok 7233
189: ok 7234
189: ok 7235
189: ok 7236
189: ok 7237
189: ok 7238
189: ok 7239
189: ok 7240
189: ok 7241
189: ok 7242
189: ok 7243
189: ok 7244
189: ok 7245
189: ok 7246
189: ok 7247
189: ok 7248
189: ok 7249
189: ok 7250
189: ok 7251
189: ok 7252
189: ok 7253
189: ok 7254
189: ok 7255
189: ok 7256
189: ok 7257
189: ok 7258
189: ok 7259
189: ok 7260
189: ok 7261
189: ok 7262
189: ok 7263
189: ok 7264
189: ok 7265
189: ok 7266
189: ok 7267
189: ok 7268
189: ok 7269
189: ok 7270
189: ok 7271
189: ok 7272
189: ok 7273
189: ok 7274
189: ok 7275
189: ok 7276
189: ok 7277
189: ok 7278
189: ok 7279
189: ok 7280
189: ok 7281
189: ok 7282
189: ok 7283
189: ok 7284
189: ok 7285
189: ok 7286
189: ok 7287
189: ok 7288
189: ok 7289
189: ok 7290
189: ok 7291
189: ok 7292
189: ok 7293
189: ok 7294
189: ok 7295
189: ok 7296
189: ok 7297
189: ok 7298
189: ok 7299
189: ok 7300
189: ok 7301
189: ok 7302
189: ok 7303
189: ok 7304
189: ok 7305
189: ok 7306
189: ok 7307
189: ok 7308
189: ok 7309
189: ok 7310
189: ok 7311
189: ok 7312
189: ok 7313
189: ok 7314
189: ok 7315
189: ok 7316
189: ok 7317
189: ok 7318
189: ok 7319
189: ok 7320
189: ok 7321
189: ok 7322
189: ok 7323
189: ok 7324
189: ok 7325
189: ok 7326
189: ok 7327
189: ok 7328
189: ok 7329
189: ok 7330
189: ok 7331
189: ok 7332
189: ok 7333
189: ok 7334
189: ok 7335
189: ok 7336
189: ok 7337
189: ok 7338
189: ok 7339
189: ok 7340
189: ok 7341
189: ok 7342
189: ok 7343
189: ok 7344
189: ok 7345
189: ok 7346
189: ok 7347
189: ok 7348
189: ok 7349
189: ok 7350
189: ok 7351
189: ok 7352
189: ok 7353
189: ok 7354
189: ok 7355
189: ok 7356
189: ok 7357
189: ok 7358
189: ok 7359
189: ok 7360
189: ok 7361
189: ok 7362
189: ok 7363
189: ok 7364
189: ok 7365
189: ok 7366
189: ok 7367
189: ok 7368
189: ok 7369
189: ok 7370
189: ok 7371
189: ok 7372
189: ok 7373
189: ok 7374
189: ok 7375
189: ok 7376
189: ok 7377
189: ok 7378
189: ok 7379
189: ok 7380
189: ok 7381
189: ok 7382
189: ok 7383
189: ok 7384
189: ok 7385
189: ok 7386
189: ok 7387
189: ok 7388
189: ok 7389
189: ok 7390
189: ok 7391
189: ok 7392
189: ok 7393
189: ok 7394
189: ok 7395
189: ok 7396
189: ok 7397
189: ok 7398
189: ok 7399
189: ok 7400
189: ok 7401
189: ok 7402
189: ok 7403
189: ok 7404
189: ok 7405
189: ok 7406
189: ok 7407
189: ok 7408
189: ok 7409
189: ok 7410
189: ok 7411
189: ok 7412
189: ok 7413
189: ok 7414
189: ok 7415
189: ok 7416
189: ok 7417
189: ok 7418
189: ok 7419
189: ok 7420
189: ok 7421
189: ok 7422
189: ok 7423
189: ok 7424
189: ok 7425
189: ok 7426
189: ok 7427
189: ok 7428
189: ok 7429
189: ok 7430
189: ok 7431
189: ok 7432
189: ok 7433
189: ok 7434
189: ok 7435
189: ok 7436
189: ok 7437
189: ok 7438
189: ok 7439
189: ok 7440
189: ok 7441
189: ok 7442
189: ok 7443
189: ok 7444
189: ok 7445
189: ok 7446
189: ok 7447
189: ok 7448
189: ok 7449
189: ok 7450
189: ok 7451
189: ok 7452
189: ok 7453
189: ok 7454
189: ok 7455
189: ok 7456
189: ok 7457
189: ok 7458
189: ok 7459
189: ok 7460
189: ok 7461
189: ok 7462
189: ok 7463
189: ok 7464
189: ok 7465
189: ok 7466
189: ok 7467
189: ok 7468
189: ok 7469
189: ok 7470
189: ok 7471
189: ok 7472
189: ok 7473
189: ok 7474
189: ok 7475
189: ok 7476
189: ok 7477
189: ok 7478
189: ok 7479
189: ok 7480
189: ok 7481
189: ok 7482
189: ok 7483
189: ok 7484
189: ok 7485
189: ok 7486
189: ok 7487
189: ok 7488
189: ok 7489
189: ok 7490
189: ok 7491
189: ok 7492
189: ok 7493
189: ok 7494
189: ok 7495
189: ok 7496
189: ok 7497
189: ok 7498
189: ok 7499
189: ok 7500
189: ok 7501
189: ok 7502
189: ok 7503
189: ok 7504
189: ok 7505
189: ok 7506
189: ok 7507
189: ok 7508
189: ok 7509
189: ok 7510
189: ok 7511
189: ok 7512
189: ok 7513
189: ok 7514
189: ok 7515
189: ok 7516
189: ok 7517
189: ok 7518
189: ok 7519
189: ok 7520
189: ok 7521
189: ok 7522
189: ok 7523
189: ok 7524
189: ok 7525
189: ok 7526
189: ok 7527
189: ok 7528
189: ok 7529
189: ok 7530
189: ok 7531
189: ok 7532
189: ok 7533
189: ok 7534
189: ok 7535
189: ok 7536
189: ok 7537
189: ok 7538
189: ok 7539
189: ok 7540
189: ok 7541
189: ok 7542
189: ok 7543
189: ok 7544
189: ok 7545
189: ok 7546
189: ok 7547
189: ok 7548
189: ok 7549
189: ok 7550
189: ok 7551
189: ok 7552
189: ok 7553
189: ok 7554
189: ok 7555
189: ok 7556
189: ok 7557
189: ok 7558
189: ok 7559
189: ok 7560
189: ok 7561
189: ok 7562
189: ok 7563
189: ok 7564
189: ok 7565
189: ok 7566
189: ok 7567
189: ok 7568
189: ok 7569
189: ok 7570
189: ok 7571
189: ok 7572
189: ok 7573
189: ok 7574
189: ok 7575
189: ok 7576
189: ok 7577
189: ok 7578
189: ok 7579
189: ok 7580
189: ok 7581
189: ok 7582
189: ok 7583
189: ok 7584
189: ok 7585
189: ok 7586
189: ok 7587
189: ok 7588
189: ok 7589
189: ok 7590
189: ok 7591
189: ok 7592
189: ok 7593
189: ok 7594
189: ok 7595
189: ok 7596
189: ok 7597
189: ok 7598
189: ok 7599
189: ok 7600
189: ok 7601
189: ok 7602
189: ok 7603
189: ok 7604
189: ok 7605
189: ok 7606
189: ok 7607
189: ok 7608
189: ok 7609
189: ok 7610
189: ok 7611
189: ok 7612
189: ok 7613
189: ok 7614
189: ok 7615
189: ok 7616
189: ok 7617
189: ok 7618
189: ok 7619
189: ok 7620
189: ok 7621
189: ok 7622
189: ok 7623
189: ok 7624
189: ok 7625
189: ok 7626
189: ok 7627
189: ok 7628
189: ok 7629
189: ok 7630
189: ok 7631
189: ok 7632
189: ok 7633
189: ok 7634
189: ok 7635
189: ok 7636
189: ok 7637
189: ok 7638
189: ok 7639
189: ok 7640
189: ok 7641
189: ok 7642
189: ok 7643
189: ok 7644
189: ok 7645
189: ok 7646
189: ok 7647
189: ok 7648
189: ok 7649
189: ok 7650
189: ok 7651
189: ok 7652
189: ok 7653
189: ok 7654
189: ok 7655
189: ok 7656
189: ok 7657
189: ok 7658
189: ok 7659
189: ok 7660
189: ok 7661
189: ok 7662
189: ok 7663
189: ok 7664
189: ok 7665
189: ok 7666
189: ok 7667
189: ok 7668
189: ok 7669
189: ok 7670
189: ok 7671
189: ok 7672
189: ok 7673
189: ok 7674
189: ok 7675
189: ok 7676
189: ok 7677
189: ok 7678
189: ok 7679
189: ok 7680
189: ok 7681
189: ok 7682
189: ok 7683
189: ok 7684
189: ok 7685
189: ok 7686
189: ok 7687
189: ok 7688
189: ok 7689
189: ok 7690
189: ok 7691
189: ok 7692
189: ok 7693
189: ok 7694
189: ok 7695
189: ok 7696
189: ok 7697
189: ok 7698
189: ok 7699
189: ok 7700
189: ok 7701
189: ok 7702
189: ok 7703
189: ok 7704
189: ok 7705
189: ok 7706
189: ok 7707
189: ok 7708
189: ok 7709
189: ok 7710
189: ok 7711
189: ok 7712
189: ok 7713
189: ok 7714
189: ok 7715
189: ok 7716
189: ok 7717
189: ok 7718
189: ok 7719
189: ok 7720
189: ok 7721
189: ok 7722
189: ok 7723
189: ok 7724
189: ok 7725
189: ok 7726
189: ok 7727
189: ok 7728
189: ok 7729
189: ok 7730
189: ok 7731
189: ok 7732
189: ok 7733
189: ok 7734
189: ok 7735
189: ok 7736
189: ok 7737
189: ok 7738
189: ok 7739
189: ok 7740
189: ok 7741
189: ok 7742
189: ok 7743
189: ok 7744
189: ok 7745
189: ok 7746
189: ok 7747
189: ok 7748
189: ok 7749
189: ok 7750
189: ok 7751
189: ok 7752
189: ok 7753
189: ok 7754
189: ok 7755
189: ok 7756
189: ok 7757
189: ok 7758
189: ok 7759
189: ok 7760
189: ok 7761
189: ok 7762
189: ok 7763
189: ok 7764
189: ok 7765
189: ok 7766
189: ok 7767
189: ok 7768
189: ok 7769
189: ok 7770
189: ok 7771
189: ok 7772
189: ok 7773
189: ok 7774
189: ok 7775
189: ok 7776
189: ok 7777
189: ok 7778
189: ok 7779
189: ok 7780
189: ok 7781
189: ok 7782
189: ok 7783
189: ok 7784
189: ok 7785
189: ok 7786
189: ok 7787
189: ok 7788
189: ok 7789
189: ok 7790
189: ok 7791
189: ok 7792
189: ok 7793
189: ok 7794
189: ok 7795
189: ok 7796
189: ok 7797
189: ok 7798
189: ok 7799
189: ok 7800
189: ok 7801
189: ok 7802
189: ok 7803
189: ok 7804
189: ok 7805
189: ok 7806
189: ok 7807
189: ok 7808
189: ok 7809
189: ok 7810
189: ok 7811
189: ok 7812
189: ok 7813
189: ok 7814
189: ok 7815
189: ok 7816
189: ok 7817
189: ok 7818
190: # math: repeating each test 1000 times
190: # Testing MMFF94 Force Field...
190: # math: entering testInversion
190: ok 1
190: ok 2
190: ok 3
190: ok 4
190: ok 5
190: ok 6
190: ok 7
190: ok 8
190: ok 9
190: ok 10
190: ok 11
190: ok 12
190: ok 13
190: ok 14
190: ok 15
190: ok 16
190: ok 17
190: ok 18
190: ok 19
190: ok 20
190: ok 21
190: ok 22
190: ok 23
190: ok 24
190: ok 25
190: ok 26
190: ok 27
190: ok 28
190: ok 29
190: ok 30
190: ok 31
190: ok 32
190: ok 33
190: ok 34
190: ok 35
190: ok 36
190: ok 37
190: ok 38
190: ok 39
190: ok 40
190: ok 41
190: ok 42
190: ok 43
190: ok 44
190: ok 45
190: ok 46
190: ok 47
190: ok 48
190: ok 49
190: ok 50
190: ok 51
190: ok 52
190: ok 53
190: ok 54
190: ok 55
190: ok 56
190: ok 57
190: ok 58
190: ok 59
190: ok 60
190: ok 61
190: ok 62
190: ok 63
190: ok 64
190: ok 65
190: ok 66
190: ok 67
190: ok 68
190: ok 69
190: ok 70
190: ok 71
190: ok 72
190: ok 73
190: ok 74
190: ok 75
190: ok 76
190: ok 77
190: ok 78
190: ok 79
190: ok 80
190: ok 81
190: ok 82
190: ok 83
190: ok 84
190: ok 85
190: ok 86
190: ok 87
190: ok 88
190: ok 89
190: ok 90
190: ok 91
190: ok 92
190: ok 93
190: ok 94
190: ok 95
190: ok 96
190: ok 97
190: ok 98
190: ok 99
190: ok 100
190: ok 101
190: ok 102
190: ok 103
190: ok 104
190: ok 105
190: ok 106
190: ok 107
190: ok 108
190: ok 109
190: ok 110
190: ok 111
190: ok 112
190: ok 113
190: ok 114
190: ok 115
190: ok 116
190: ok 117
190: ok 118
190: ok 119
190: ok 120
190: ok 121
190: ok 122
190: ok 123
190: ok 124
190: ok 125
190: ok 126
190: ok 127
190: ok 128
190: ok 129
190: ok 130
190: ok 131
190: ok 132
190: ok 133
190: ok 134
190: ok 135
190: ok 136
190: ok 137
190: ok 138
190: ok 139
190: ok 140
190: ok 141
190: ok 142
190: ok 143
190: ok 144
190: ok 145
190: ok 146
190: ok 147
190: ok 148
190: ok 149
190: ok 150
190: ok 151
190: ok 152
190: ok 153
190: ok 154
190: ok 155
190: ok 156
190: ok 157
190: ok 158
190: ok 159
190: ok 160
190: ok 161
190: ok 162
190: ok 163
190: ok 164
190: ok 165
190: ok 166
190: ok 167
190: ok 168
190: ok 169
190: ok 170
190: ok 171
190: ok 172
190: ok 173
190: ok 174
190: ok 175
190: ok 176
190: ok 177
190: ok 178
190: ok 179
190: ok 180
190: ok 181
190: ok 182
190: ok 183
190: ok 184
190: ok 185
190: ok 186
190: ok 187
190: ok 188
190: ok 189
190: ok 190
190: ok 191
190: ok 192
190: ok 193
190: ok 194
190: ok 195
190: ok 196
190: ok 197
190: ok 198
190: ok 199
190: ok 200
190: ok 201
190: ok 202
190: ok 203
190: ok 204
190: ok 205
190: ok 206
190: ok 207
190: ok 208
190: ok 209
190: ok 210
190: ok 211
190: ok 212
190: ok 213
190: ok 214
190: ok 215
190: ok 216
190: ok 217
190: ok 218
190: ok 219
190: ok 220
190: ok 221
190: ok 222
190: ok 223
190: ok 224
190: ok 225
190: ok 226
190: ok 227
190: ok 228
190: ok 229
190: ok 230
190: ok 231
190: ok 232
190: ok 233
190: ok 234
190: ok 235
190: ok 236
190: ok 237
190: ok 238
190: ok 239
190: ok 240
190: ok 241
190: ok 242
190: ok 243
190: ok 244
190: ok 245
190: ok 246
190: ok 247
190: ok 248
190: ok 249
190: ok 250
190: ok 251
190: ok 252
190: ok 253
190: ok 254
190: ok 255
190: ok 256
190: ok 257
190: ok 258
190: ok 259
190: ok 260
190: ok 261
190: ok 262
190: ok 263
190: ok 264
190: ok 265
190: ok 266
190: ok 267
190: ok 268
190: ok 269
190: ok 270
190: ok 271
190: ok 272
190: ok 273
190: ok 274
190: ok 275
190: ok 276
190: ok 277
190: ok 278
190: ok 279
190: ok 280
190: ok 281
190: ok 282
190: ok 283
190: ok 284
190: ok 285
190: ok 286
190: ok 287
190: ok 288
190: ok 289
190: ok 290
190: ok 291
190: ok 292
190: ok 293
190: ok 294
190: ok 295
190: ok 296
190: ok 297
190: ok 298
190: ok 299
190: ok 300
190: ok 301
190: ok 302
190: ok 303
190: ok 304
190: ok 305
190: ok 306
190: ok 307
190: ok 308
190: ok 309
190: ok 310
190: ok 311
190: ok 312
190: ok 313
190: ok 314
190: ok 315
190: ok 316
190: ok 317
190: ok 318
190: ok 319
190: ok 320
190: ok 321
190: ok 322
190: ok 323
190: ok 324
190: ok 325
190: ok 326
190: ok 327
190: ok 328
190: ok 329
190: ok 330
190: ok 331
190: ok 332
190: ok 333
190: ok 334
190: ok 335
190: ok 336
190: ok 337
190: ok 338
190: ok 339
190: ok 340
190: ok 341
190: ok 342
190: ok 343
190: ok 344
190: ok 345
190: ok 346
190: ok 347
190: ok 348
190: ok 349
190: ok 350
190: ok 351
190: ok 352
190: ok 353
190: ok 354
190: ok 355
190: ok 356
190: ok 357
190: ok 358
190: ok 359
190: ok 360
190: ok 361
190: ok 362
190: ok 363
190: ok 364
190: ok 365
190: ok 366
190: ok 367
190: ok 368
190: ok 369
190: ok 370
190: ok 371
190: ok 372
190: ok 373
190: ok 374
190: ok 375
190: ok 376
190: ok 377
190: ok 378
190: ok 379
190: ok 380
190: ok 381
190: ok 382
190: ok 383
190: ok 384
190: ok 385
190: ok 386
190: ok 387
190: ok 388
190: ok 389
190: ok 390
190: ok 391
190: ok 392
190: ok 393
190: ok 394
190: ok 395
190: ok 396
190: ok 397
190: ok 398
190: ok 399
190: ok 400
190: ok 401
190: ok 402
190: ok 403
190: ok 404
190: ok 405
190: ok 406
190: ok 407
190: ok 408
190: ok 409
190: ok 410
190: ok 411
190: ok 412
190: ok 413
190: ok 414
190: ok 415
190: ok 416
190: ok 417
190: ok 418
190: ok 419
190: ok 420
190: ok 421
190: ok 422
190: ok 423
190: ok 424
190: ok 425
190: ok 426
190: ok 427
190: ok 428
190: ok 429
190: ok 430
190: ok 431
190: ok 432
190: ok 433
190: ok 434
190: ok 435
190: ok 436
190: ok 437
190: ok 438
190: ok 439
190: ok 440
190: ok 441
190: ok 442
190: ok 443
190: ok 444
190: ok 445
190: ok 446
190: ok 447
190: ok 448
190: ok 449
190: ok 450
190: ok 451
190: ok 452
190: ok 453
190: ok 454
190: ok 455
190: ok 456
190: ok 457
190: ok 458
190: ok 459
190: ok 460
190: ok 461
190: ok 462
190: ok 463
190: ok 464
190: ok 465
190: ok 466
190: ok 467
190: ok 468
190: ok 469
190: ok 470
190: ok 471
190: ok 472
190: ok 473
190: ok 474
190: ok 475
190: ok 476
190: ok 477
190: ok 478
190: ok 479
190: ok 480
190: ok 481
190: ok 482
190: ok 483
190: ok 484
190: ok 485
190: ok 486
190: ok 487
190: ok 488
190: ok 489
190: ok 490
190: ok 491
190: ok 492
190: ok 493
190: ok 494
190: ok 495
190: ok 496
190: ok 497
190: ok 498
190: ok 499
190: ok 500
190: ok 501
190: ok 502
190: ok 503
190: ok 504
190: ok 505
190: ok 506
190: ok 507
190: ok 508
190: ok 509
190: ok 510
190: ok 511
190: ok 512
190: ok 513
190: ok 514
190: ok 515
190: ok 516
190: ok 517
190: ok 518
190: ok 519
190: ok 520
190: ok 521
190: ok 522
190: ok 523
190: ok 524
190: ok 525
190: ok 526
190: ok 527
190: ok 528
190: ok 529
190: ok 530
190: ok 531
190: ok 532
190: ok 533
190: ok 534
190: ok 535
190: ok 536
190: ok 537
190: ok 538
190: ok 539
190: ok 540
190: ok 541
190: ok 542
190: ok 543
190: ok 544
190: ok 545
190: ok 546
190: ok 547
190: ok 548
190: ok 549
190: ok 550
190: ok 551
190: ok 552
190: ok 553
190: ok 554
190: ok 555
190: ok 556
190: ok 557
190: ok 558
190: ok 559
190: ok 560
190: ok 561
190: ok 562
190: ok 563
190: ok 564
190: ok 565
190: ok 566
190: ok 567
190: ok 568
190: ok 569
190: ok 570
190: ok 571
190: ok 572
190: ok 573
190: ok 574
190: ok 575
190: ok 576
190: ok 577
190: ok 578
190: ok 579
190: ok 580
190: ok 581
190: ok 582
190: ok 583
190: ok 584
190: ok 585
190: ok 586
190: ok 587
190: ok 588
190: ok 589
190: ok 590
190: ok 591
190: ok 592
190: ok 593
190: ok 594
190: ok 595
190: ok 596
190: ok 597
190: ok 598
190: ok 599
190: ok 600
190: ok 601
190: ok 602
190: ok 603
190: ok 604
190: ok 605
190: ok 606
190: ok 607
190: ok 608
190: ok 609
190: ok 610
190: ok 611
190: ok 612
190: ok 613
190: ok 614
190: ok 615
190: ok 616
190: ok 617
190: ok 618
190: ok 619
190: ok 620
190: ok 621
190: ok 622
190: ok 623
190: ok 624
190: ok 625
190: ok 626
190: ok 627
190: ok 628
190: ok 629
190: ok 630
190: ok 631
190: ok 632
190: ok 633
190: ok 634
190: ok 635
190: ok 636
190: ok 637
190: ok 638
190: ok 639
190: ok 640
190: ok 641
190: ok 642
190: ok 643
190: ok 644
190: ok 645
190: ok 646
190: ok 647
190: ok 648
190: ok 649
190: ok 650
190: ok 651
190: ok 652
190: ok 653
190: ok 654
190: ok 655
190: ok 656
190: ok 657
190: ok 658
190: ok 659
190: ok 660
190: ok 661
190: ok 662
190: ok 663
190: ok 664
190: ok 665
190: ok 666
190: ok 667
190: ok 668
190: ok 669
190: ok 670
190: ok 671
190: ok 672
190: ok 673
190: ok 674
190: ok 675
190: ok 676
190: ok 677
190: ok 678
190: ok 679
190: ok 680
190: ok 681
190: ok 682
190: ok 683
190: ok 684
190: ok 685
190: ok 686
190: ok 687
190: ok 688
190: ok 689
190: ok 690
190: ok 691
190: ok 692
190: ok 693
190: ok 694
190: ok 695
190: ok 696
190: ok 697
190: ok 698
190: ok 699
190: ok 700
190: ok 701
190: ok 702
190: ok 703
190: ok 704
190: ok 705
190: ok 706
190: ok 707
190: ok 708
190: ok 709
190: ok 710
190: ok 711
190: ok 712
190: ok 713
190: ok 714
190: ok 715
190: ok 716
190: ok 717
190: ok 718
190: ok 719
190: ok 720
190: ok 721
190: ok 722
190: ok 723
190: ok 724
190: ok 725
190: ok 726
190: ok 727
190: ok 728
190: ok 729
190: ok 730
190: ok 731
190: ok 732
190: ok 733
190: ok 734
190: ok 735
190: ok 736
190: ok 737
190: ok 738
190: ok 739
190: ok 740
190: ok 741
190: ok 742
190: ok 743
190: ok 744
190: ok 745
190: ok 746
190: ok 747
190: ok 748
190: ok 749
190: ok 750
190: ok 751
190: ok 752
190: ok 753
190: ok 754
190: ok 755
190: ok 756
190: ok 757
190: ok 758
190: ok 759
190: ok 760
190: ok 761
190: ok 762
190: ok 763
190: ok 764
190: ok 765
190: ok 766
190: ok 767
190: ok 768
190: ok 769
190: ok 770
190: ok 771
190: ok 772
190: ok 773
190: ok 774
190: ok 775
190: ok 776
190: ok 777
190: ok 778
190: ok 779
190: ok 780
190: ok 781
190: ok 782
190: ok 783
190: ok 784
190: ok 785
190: ok 786
190: ok 787
190: ok 788
190: ok 789
190: ok 790
190: ok 791
190: ok 792
190: ok 793
190: ok 794
190: ok 795
190: ok 796
190: ok 797
190: ok 798
190: ok 799
190: ok 800
190: ok 801
190: ok 802
190: ok 803
190: ok 804
190: ok 805
190: ok 806
190: ok 807
190: ok 808
190: ok 809
190: ok 810
190: ok 811
190: ok 812
190: ok 813
190: ok 814
190: ok 815
190: ok 816
190: ok 817
190: ok 818
190: ok 819
190: ok 820
190: ok 821
190: ok 822
190: ok 823
190: ok 824
190: ok 825
190: ok 826
190: ok 827
190: ok 828
190: ok 829
190: ok 830
190: ok 831
190: ok 832
190: ok 833
190: ok 834
190: ok 835
190: ok 836
190: ok 837
190: ok 838
190: ok 839
190: ok 840
190: ok 841
190: ok 842
190: ok 843
190: ok 844
190: ok 845
190: ok 846
190: ok 847
190: ok 848
190: ok 849
190: ok 850
190: ok 851
190: ok 852
190: ok 853
190: ok 854
190: ok 855
190: ok 856
190: ok 857
190: ok 858
190: ok 859
190: ok 860
190: ok 861
190: ok 862
190: ok 863
190: ok 864
190: ok 865
190: ok 866
190: ok 867
190: ok 868
190: ok 869
190: ok 870
190: ok 871
190: ok 872
190: ok 873
190: ok 874
190: ok 875
190: ok 876
190: ok 877
190: ok 878
190: ok 879
190: ok 880
190: ok 881
190: ok 882
190: ok 883
190: ok 884
190: ok 885
190: ok 886
190: ok 887
190: ok 888
190: ok 889
190: ok 890
190: ok 891
190: ok 892
190: ok 893
190: ok 894
190: ok 895
190: ok 896
190: ok 897
190: ok 898
190: ok 899
190: ok 900
190: ok 901
190: ok 902
190: ok 903
190: ok 904
190: ok 905
190: ok 906
190: ok 907
190: ok 908
190: ok 909
190: ok 910
190: ok 911
190: ok 912
190: ok 913
190: ok 914
190: ok 915
190: ok 916
190: ok 917
190: ok 918
190: ok 919
190: ok 920
190: ok 921
190: ok 922
190: ok 923
190: ok 924
190: ok 925
190: ok 926
190: ok 927
190: ok 928
190: ok 929
190: ok 930
190: ok 931
190: ok 932
190: ok 933
190: ok 934
190: ok 935
190: ok 936
190: ok 937
190: ok 938
190: ok 939
190: ok 940
190: ok 941
190: ok 942
190: ok 943
190: ok 944
190: ok 945
190: ok 946
190: ok 947
190: ok 948
190: ok 949
190: ok 950
190: ok 951
190: ok 952
190: ok 953
190: ok 954
190: ok 955
190: ok 956
190: ok 957
190: ok 958
190: ok 959
190: ok 960
190: ok 961
190: ok 962
190: ok 963
190: ok 964
190: ok 965
190: ok 966
190: ok 967
190: ok 968
190: ok 969
190: ok 970
190: ok 971
190: ok 972
190: ok 973
190: ok 974
190: ok 975
190: ok 976
190: ok 977
190: ok 978
190: ok 979
190: ok 980
190: ok 981
190: ok 982
190: ok 983
190: ok 984
190: ok 985
190: ok 986
190: ok 987
190: ok 988
190: ok 989
190: ok 990
190: ok 991
190: ok 992
190: ok 993
190: ok 994
190: ok 995
190: ok 996
190: ok 997
190: ok 998
190: ok 999
190: ok 1000
190: # math: passed testInversion
190: 1..1000
190: # math: all tests are successful
171/219 Test #190: test_math_3 ......................   Passed   19.08 sec
test 203
        Start 203: test_unitcell_1
203: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "unitcell" "1"
203: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
203: Environment variables: 
203:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
203:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
203: Test timeout computed to be: 6000
191: # math: repeating each test 1000 times
191: # Testing MMFF94 Force Field...
191: # math: entering testEigenvalues
191: ok 1
191: ok 2
191: ok 3
191: ok 4
191: ok 5
191: ok 6
191: ok 7
191: ok 8
191: ok 9
191: ok 10
191: ok 11
191: ok 12
191: ok 13
191: ok 14
191: ok 15
191: ok 16
191: ok 17
191: ok 18
191: ok 19
191: ok 20
191: ok 21
191: ok 22
191: ok 23
191: ok 24
191: ok 25
191: ok 26
191: ok 27
191: ok 28
191: ok 29
191: ok 30
191: ok 31
191: ok 32
191: ok 33
191: ok 34
191: ok 35
191: ok 36
191: ok 37
191: ok 38
191: ok 39
191: ok 40
191: ok 41
191: ok 42
191: ok 43
191: ok 44
191: ok 45
191: ok 46
191: ok 47
191: ok 48
191: ok 49
191: ok 50
191: ok 51
191: ok 52
191: ok 53
191: ok 54
191: ok 55
191: ok 56
191: ok 57
191: ok 58
191: ok 59
191: ok 60
191: ok 61
191: ok 62
191: ok 63
191: ok 64
191: ok 65
191: ok 66
191: ok 67
191: ok 68
191: ok 69
191: ok 70
191: ok 71
191: ok 72
191: ok 73
191: ok 74
191: ok 75
191: ok 76
191: ok 77
191: ok 78
191: ok 79
191: ok 80
191: ok 81
191: ok 82
191: ok 83
191: ok 84
191: ok 85
191: ok 86
191: ok 87
191: ok 88
191: ok 89
191: ok 90
191: ok 91
191: ok 92
191: ok 93
191: ok 94
191: ok 95
191: ok 96
191: ok 97
191: ok 98
191: ok 99
191: ok 100
191: ok 101
191: ok 102
191: ok 103
191: ok 104
191: ok 105
191: ok 106
191: ok 107
191: ok 108
191: ok 109
191: ok 110
191: ok 111
191: ok 112
191: ok 113
191: ok 114
191: ok 115
191: ok 116
191: ok 117
191: ok 118
191: ok 119
191: ok 120
191: ok 121
191: ok 122
191: ok 123
191: ok 124
191: ok 125
191: ok 126
191: ok 127
191: ok 128
191: ok 129
191: ok 130
191: ok 131
191: ok 132
191: ok 133
191: ok 134
191: ok 135
191: ok 136
191: ok 137
191: ok 138
191: ok 139
191: ok 140
191: ok 141
191: ok 142
191: ok 143
191: ok 144
191: ok 145
191: ok 146
191: ok 147
191: ok 148
191: ok 149
191: ok 150
191: ok 151
191: ok 152
191: ok 153
191: ok 154
191: ok 155
191: ok 156
191: ok 157
191: ok 158
191: ok 159
191: ok 160
191: ok 161
191: ok 162
191: ok 163
191: ok 164
191: ok 165
191: ok 166
191: ok 167
191: ok 168
191: ok 169
191: ok 170
191: ok 171
191: ok 172
191: ok 173
191: ok 174
191: ok 175
191: ok 176
191: ok 177
191: ok 178
191: ok 179
191: ok 180
191: ok 181
191: ok 182
191: ok 183
191: ok 184
191: ok 185
191: ok 186
191: ok 187
191: ok 188
191: ok 189
191: ok 190
191: ok 191
191: ok 192
191: ok 193
191: ok 194
191: ok 195
191: ok 196
191: ok 197
191: ok 198
191: ok 199
191: ok 200
191: ok 201
191: ok 202
191: ok 203
191: ok 204
191: ok 205
191: ok 206
191: ok 207
191: ok 208
191: ok 209
191: ok 210
191: ok 211
191: ok 212
191: ok 213
191: ok 214
191: ok 215
191: ok 216
191: ok 217
191: ok 218
191: ok 219
191: ok 220
191: ok 221
191: ok 222
191: ok 223
191: ok 224
191: ok 225
191: ok 226
191: ok 227
191: ok 228
191: ok 229
191: ok 230
191: ok 231
191: ok 232
191: ok 233
191: ok 234
191: ok 235
191: ok 236
191: ok 237
191: ok 238
191: ok 239
191: ok 240
191: ok 241
191: ok 242
191: ok 243
191: ok 244
191: ok 245
191: ok 246
191: ok 247
191: ok 248
191: ok 249
191: ok 250
191: ok 251
191: ok 252
191: ok 253
191: ok 254
191: ok 255
191: ok 256
191: ok 257
191: ok 258
191: ok 259
191: ok 260
191: ok 261
191: ok 262
191: ok 263
191: ok 264
191: ok 265
191: ok 266
191: ok 267
191: ok 268
191: ok 269
191: ok 270
191: ok 271
191: ok 272
191: ok 273
191: ok 274
191: ok 275
191: ok 276
191: ok 277
191: ok 278
191: ok 279
191: ok 280
191: ok 281
191: ok 282
191: ok 283
191: ok 284
191: ok 285
191: ok 286
191: ok 287
191: ok 288
191: ok 289
191: ok 290
191: ok 291
191: ok 292
191: ok 293
191: ok 294
191: ok 295
191: ok 296
191: ok 297
191: ok 298
191: ok 299
191: ok 300
191: ok 301
191: ok 302
191: ok 303
191: ok 304
191: ok 305
191: ok 306
191: ok 307
191: ok 308
191: ok 309
191: ok 310
191: ok 311
191: ok 312
191: ok 313
191: ok 314
191: ok 315
191: ok 316
191: ok 317
191: ok 318
191: ok 319
191: ok 320
191: ok 321
191: ok 322
191: ok 323
191: ok 324
191: ok 325
191: ok 326
191: ok 327
191: ok 328
191: ok 329
191: ok 330
191: ok 331
191: ok 332
191: ok 333
191: ok 334
191: ok 335
191: ok 336
191: ok 337
191: ok 338
191: ok 339
191: ok 340
191: ok 341
191: ok 342
191: ok 343
191: ok 344
191: ok 345
191: ok 346
191: ok 347
191: ok 348
191: ok 349
191: ok 350
191: ok 351
191: ok 352
191: ok 353
191: ok 354
191: ok 355
191: ok 356
191: ok 357
191: ok 358
191: ok 359
191: ok 360
191: ok 361
191: ok 362
191: ok 363
191: ok 364
191: ok 365
191: ok 366
191: ok 367
191: ok 368
191: ok 369
191: ok 370
191: ok 371
191: ok 372
191: ok 373
191: ok 374
191: ok 375
191: ok 376
191: ok 377
191: ok 378
191: ok 379
191: ok 380
191: ok 381
191: ok 382
191: ok 383
191: ok 384
191: ok 385
191: ok 386
191: ok 387
191: ok 388
191: ok 389
191: ok 390
191: ok 391
191: ok 392
191: ok 393
191: ok 394
191: ok 395
191: ok 396
191: ok 397
191: ok 398
191: ok 399
191: ok 400
191: ok 401
191: ok 402
191: ok 403
191: ok 404
191: ok 405
191: ok 406
191: ok 407
191: ok 408
191: ok 409
191: ok 410
191: ok 411
191: ok 412
191: ok 413
191: ok 414
191: ok 415
191: ok 416
191: ok 417
191: ok 418
191: ok 419
191: ok 420
191: ok 421
191: ok 422
191: ok 423
191: ok 424
191: ok 425
191: ok 426
191: ok 427
191: ok 428
191: ok 429
191: ok 430
191: ok 431
191: ok 432
191: ok 433
191: ok 434
191: ok 435
191: ok 436
191: ok 437
191: ok 438
191: ok 439
191: ok 440
191: ok 441
191: ok 442
191: ok 443
191: ok 444
191: ok 445
191: ok 446
191: ok 447
191: ok 448
191: ok 449
191: ok 450
191: ok 451
191: ok 452
191: ok 453
191: ok 454
191: ok 455
191: ok 456
191: ok 457
191: ok 458
191: ok 459
191: ok 460
191: ok 461
191: ok 462
191: ok 463
191: ok 464
191: ok 465
191: ok 466
191: ok 467
191: ok 468
191: ok 469
191: ok 470
191: ok 471
191: ok 472
191: ok 473
191: ok 474
191: ok 475
191: ok 476
191: ok 477
191: ok 478
191: ok 479
191: ok 480
191: ok 481
191: ok 482
191: ok 483
191: ok 484
191: ok 485
191: ok 486
191: ok 487
191: ok 488
191: ok 489
191: ok 490
191: ok 491
191: ok 492
191: ok 493
191: ok 494
191: ok 495
191: ok 496
191: ok 497
191: ok 498
191: ok 499
191: ok 500
191: ok 501
191: ok 502
191: ok 503
191: ok 504
191: ok 505
191: ok 506
191: ok 507
191: ok 508
191: ok 509
191: ok 510
191: ok 511
191: ok 512
191: ok 513
191: ok 514
191: ok 515
191: ok 516
191: ok 517
191: ok 518
191: ok 519
191: ok 520
191: ok 521
191: ok 522
191: ok 523
191: ok 524
191: ok 525
191: ok 526
191: ok 527
191: ok 528
191: ok 529
191: ok 530
191: ok 531
191: ok 532
191: ok 533
191: ok 534
191: ok 535
191: ok 536
191: ok 537
191: ok 538
191: ok 539
191: ok 540
191: ok 541
191: ok 542
191: ok 543
191: ok 544
191: ok 545
191: ok 546
191: ok 547
191: ok 548
191: ok 549
191: ok 550
191: ok 551
191: ok 552
191: ok 553
191: ok 554
191: ok 555
191: ok 556
191: ok 557
191: ok 558
191: ok 559
191: ok 560
191: ok 561
191: ok 562
191: ok 563
191: ok 564
191: ok 565
191: ok 566
191: ok 567
191: ok 568
191: ok 569
191: ok 570
191: ok 571
191: ok 572
191: ok 573
191: ok 574
191: ok 575
191: ok 576
191: ok 577
191: ok 578
191: ok 579
191: ok 580
191: ok 581
191: ok 582
191: ok 583
191: ok 584
191: ok 585
191: ok 586
191: ok 587
191: ok 588
191: ok 589
191: ok 590
191: ok 591
191: ok 592
191: ok 593
191: ok 594
191: ok 595
191: ok 596
191: ok 597
191: ok 598
191: ok 599
191: ok 600
191: ok 601
191: ok 602
191: ok 603
191: ok 604
191: ok 605
191: ok 606
191: ok 607
191: ok 608
191: ok 609
191: ok 610
191: ok 611
191: ok 612
191: ok 613
191: ok 614
191: ok 615
191: ok 616
191: ok 617
191: ok 618
191: ok 619
191: ok 620
191: ok 621
191: ok 622
191: ok 623
191: ok 624
191: ok 625
191: ok 626
191: ok 627
191: ok 628
191: ok 629
191: ok 630
191: ok 631
191: ok 632
191: ok 633
191: ok 634
191: ok 635
191: ok 636
191: ok 637
191: ok 638
191: ok 639
191: ok 640
191: ok 641
191: ok 642
191: ok 643
191: ok 644
191: ok 645
191: ok 646
191: ok 647
191: ok 648
191: ok 649
191: ok 650
191: ok 651
191: ok 652
191: ok 653
191: ok 654
191: ok 655
191: ok 656
191: ok 657
191: ok 658
191: ok 659
191: ok 660
191: ok 661
191: ok 662
191: ok 663
191: ok 664
191: ok 665
191: ok 666
191: ok 667
191: ok 668
191: ok 669
191: ok 670
191: ok 671
191: ok 672
191: ok 673
191: ok 674
191: ok 675
191: ok 676
191: ok 677
191: ok 678
191: ok 679
191: ok 680
191: ok 681
191: ok 682
191: ok 683
191: ok 684
191: ok 685
191: ok 686
191: ok 687
191: ok 688
191: ok 689
191: ok 690
191: ok 691
191: ok 692
191: ok 693
191: ok 694
191: ok 695
191: ok 696
191: ok 697
191: ok 698
191: ok 699
191: ok 700
191: ok 701
191: ok 702
191: ok 703
191: ok 704
191: ok 705
191: ok 706
191: ok 707
191: ok 708
191: ok 709
191: ok 710
191: ok 711
191: ok 712
191: ok 713
191: ok 714
191: ok 715
191: ok 716
191: ok 717
191: ok 718
191: ok 719
191: ok 720
191: ok 721
191: ok 722
191: ok 723
191: ok 724
191: ok 725
191: ok 726
191: ok 727
191: ok 728
191: ok 729
191: ok 730
191: ok 731
191: ok 732
191: ok 733
191: ok 734
191: ok 735
191: ok 736
191: ok 737
191: ok 738
191: ok 739
191: ok 740
191: ok 741
191: ok 742
191: ok 743
191: ok 744
191: ok 745
191: ok 746
191: ok 747
191: ok 748
191: ok 749
191: ok 750
191: ok 751
191: ok 752
191: ok 753
191: ok 754
191: ok 755
191: ok 756
191: ok 757
191: ok 758
191: ok 759
191: ok 760
191: ok 761
191: ok 762
191: ok 763
191: ok 764
191: ok 765
191: ok 766
191: ok 767
191: ok 768
191: ok 769
191: ok 770
191: ok 771
191: ok 772
191: ok 773
191: ok 774
191: ok 775
191: ok 776
191: ok 777
191: ok 778
191: ok 779
191: ok 780
191: ok 781
191: ok 782
191: ok 783
191: ok 784
191: ok 785
191: ok 786
191: ok 787
191: ok 788
191: ok 789
191: ok 790
191: ok 791
191: ok 792
191: ok 793
191: ok 794
191: ok 795
191: ok 796
191: ok 797
191: ok 798
191: ok 799
191: ok 800
191: ok 801
191: ok 802
191: ok 803
191: ok 804
191: ok 805
191: ok 806
191: ok 807
191: ok 808
191: ok 809
191: ok 810
191: ok 811
191: ok 812
191: ok 813
191: ok 814
191: ok 815
191: ok 816
191: ok 817
191: ok 818
191: ok 819
191: ok 820
191: ok 821
191: ok 822
191: ok 823
191: ok 824
191: ok 825
191: ok 826
191: ok 827
191: ok 828
191: ok 829
191: ok 830
191: ok 831
191: ok 832
191: ok 833
191: ok 834
191: ok 835
191: ok 836
191: ok 837
191: ok 838
191: ok 839
191: ok 840
191: ok 841
191: ok 842
191: ok 843
191: ok 844
191: ok 845
191: ok 846
191: ok 847
191: ok 848
191: ok 849
191: ok 850
191: ok 851
191: ok 852
191: ok 853
191: ok 854
191: ok 855
191: ok 856
191: ok 857
191: ok 858
191: ok 859
191: ok 860
191: ok 861
191: ok 862
191: ok 863
191: ok 864
191: ok 865
191: ok 866
191: ok 867
191: ok 868
191: ok 869
191: ok 870
191: ok 871
191: ok 872
191: ok 873
191: ok 874
191: ok 875
191: ok 876
191: ok 877
191: ok 878
191: ok 879
191: ok 880
191: ok 881
191: ok 882
191: ok 883
191: ok 884
191: ok 885
191: ok 886
191: ok 887
191: ok 888
191: ok 889
191: ok 890
191: ok 891
191: ok 892
191: ok 893
191: ok 894
191: ok 895
191: ok 896
191: ok 897
191: ok 898
191: ok 899
191: ok 900
191: ok 901
191: ok 902
191: ok 903
191: ok 904
191: ok 905
191: ok 906
191: ok 907
191: ok 908
191: ok 909
191: ok 910
191: ok 911
191: ok 912
191: ok 913
191: ok 914
191: ok 915
191: ok 916
191: ok 917
191: ok 918
191: ok 919
191: ok 920
191: ok 921
191: ok 922
191: ok 923
191: ok 924
191: ok 925
191: ok 926
191: ok 927
191: ok 928
191: ok 929
191: ok 930
191: ok 931
191: ok 932
191: ok 933
191: ok 934
191: ok 935
191: ok 936
191: ok 937
191: ok 938
191: ok 939
191: ok 940
191: ok 941
191: ok 942
191: ok 943
191: ok 944
191: ok 945
191: ok 946
191: ok 947
191: ok 948
191: ok 949
191: ok 950
191: ok 951
191: ok 952
191: ok 953
191: ok 954
191: ok 955
191: ok 956
191: ok 957
191: ok 958
191: ok 959
191: ok 960
191: ok 961
191: ok 962
191: ok 963
191: ok 964
191: ok 965
191: ok 966
191: ok 967
191: ok 968
191: ok 969
191: ok 970
191: ok 971
191: ok 972
191: ok 973
191: ok 974
191: ok 975
191: ok 976
191: ok 977
191: ok 978
191: ok 979
191: ok 980
191: ok 981
191: ok 982
191: ok 983
191: ok 984
191: ok 985
191: ok 986
191: ok 987
191: ok 988
191: ok 989
191: ok 990
191: ok 991
191: ok 992
191: ok 993
191: ok 994
191: ok 995
191: ok 996
191: ok 997
191: ok 998
191: ok 999
191: ok 1000
191: ok 1001
191: ok 1002
191: ok 1003
191: ok 1004
191: ok 1005
191: ok 1006
191: ok 1007
191: ok 1008
191: ok 1009
191: ok 1010
191: ok 1011
191: ok 1012
191: ok 1013
191: ok 1014
191: ok 1015
191: ok 1016
191: ok 1017
191: ok 1018
191: ok 1019
191: ok 1020
191: ok 1021
191: ok 1022
191: ok 1023
191: ok 1024
191: ok 1025
191: ok 1026
191: ok 1027
191: ok 1028
191: ok 1029
191: ok 1030
191: ok 1031
191: ok 1032
191: ok 1033
191: ok 1034
191: ok 1035
191: ok 1036
191: ok 1037
191: ok 1038
191: ok 1039
191: ok 1040
191: ok 1041
191: ok 1042
191: ok 1043
191: ok 1044
191: ok 1045
191: ok 1046
191: ok 1047
191: ok 1048
191: ok 1049
191: ok 1050
191: ok 1051
191: ok 1052
191: ok 1053
191: ok 1054
191: ok 1055
191: ok 1056
191: ok 1057
191: ok 1058
191: ok 1059
191: ok 1060
191: ok 1061
191: ok 1062
191: ok 1063
191: ok 1064
191: ok 1065
191: ok 1066
191: ok 1067
191: ok 1068
191: ok 1069
191: ok 1070
191: ok 1071
191: ok 1072
191: ok 1073
191: ok 1074
191: ok 1075
191: ok 1076
191: ok 1077
191: ok 1078
191: ok 1079
191: ok 1080
191: ok 1081
191: ok 1082
191: ok 1083
191: ok 1084
191: ok 1085
191: ok 1086
191: ok 1087
191: ok 1088
191: ok 1089
191: ok 1090
191: ok 1091
191: ok 1092
191: ok 1093
191: ok 1094
191: ok 1095
191: ok 1096
191: ok 1097
191: ok 1098
191: ok 1099
191: ok 1100
191: ok 1101
191: ok 1102
191: ok 1103
191: ok 1104
191: ok 1105
191: ok 1106
191: ok 1107
191: ok 1108
191: ok 1109
191: ok 1110
191: ok 1111
191: ok 1112
191: ok 1113
191: ok 1114
191: ok 1115
191: ok 1116
191: ok 1117
191: ok 1118
191: ok 1119
191: ok 1120
191: ok 1121
191: ok 1122
191: ok 1123
191: ok 1124
191: ok 1125
191: ok 1126
191: ok 1127
191: ok 1128
191: ok 1129
191: ok 1130
191: ok 1131
191: ok 1132
191: ok 1133
191: ok 1134
191: ok 1135
191: ok 1136
191: ok 1137
191: ok 1138
191: ok 1139
191: ok 1140
191: ok 1141
191: ok 1142
191: ok 1143
191: ok 1144
191: ok 1145
191: ok 1146
191: ok 1147
191: ok 1148
191: ok 1149
191: ok 1150
191: ok 1151
191: ok 1152
191: ok 1153
191: ok 1154
191: ok 1155
191: ok 1156
191: ok 1157
191: ok 1158
191: ok 1159
191: ok 1160
191: ok 1161
191: ok 1162
191: ok 1163
191: ok 1164
191: ok 1165
191: ok 1166
191: ok 1167
191: ok 1168
191: ok 1169
191: ok 1170
191: ok 1171
191: ok 1172
191: ok 1173
191: ok 1174
191: ok 1175
191: ok 1176
191: ok 1177
191: ok 1178
191: ok 1179
191: ok 1180
191: ok 1181
191: ok 1182
191: ok 1183
191: ok 1184
191: ok 1185
191: ok 1186
191: ok 1187
191: ok 1188
191: ok 1189
191: ok 1190
191: ok 1191
191: ok 1192
191: ok 1193
191: ok 1194
191: ok 1195
191: ok 1196
191: ok 1197
191: ok 1198
191: ok 1199
191: ok 1200
191: ok 1201
191: ok 1202
191: ok 1203
191: ok 1204
191: ok 1205
191: ok 1206
191: ok 1207
191: ok 1208
191: ok 1209
191: ok 1210
191: ok 1211
191: ok 1212
191: ok 1213
191: ok 1214
191: ok 1215
191: ok 1216
191: ok 1217
191: ok 1218
191: ok 1219
191: ok 1220
191: ok 1221
191: ok 1222
191: ok 1223
191: ok 1224
191: ok 1225
191: ok 1226
191: ok 1227
191: ok 1228
191: ok 1229
191: ok 1230
191: ok 1231
191: ok 1232
191: ok 1233
191: ok 1234
191: ok 1235
191: ok 1236
191: ok 1237
191: ok 1238
191: ok 1239
191: ok 1240
191: ok 1241
191: ok 1242
191: ok 1243
191: ok 1244
191: ok 1245
191: ok 1246
191: ok 1247
191: ok 1248
191: ok 1249
191: ok 1250
191: ok 1251
191: ok 1252
191: ok 1253
191: ok 1254
191: ok 1255
191: ok 1256
191: ok 1257
191: ok 1258
191: ok 1259
191: ok 1260
191: ok 1261
191: ok 1262
191: ok 1263
191: ok 1264
191: ok 1265
191: ok 1266
191: ok 1267
191: ok 1268
191: ok 1269
191: ok 1270
191: ok 1271
191: ok 1272
191: ok 1273
191: ok 1274
191: ok 1275
191: ok 1276
191: ok 1277
191: ok 1278
191: ok 1279
191: ok 1280
191: ok 1281
191: ok 1282
191: ok 1283
191: ok 1284
191: ok 1285
191: ok 1286
191: ok 1287
191: ok 1288
191: ok 1289
191: ok 1290
191: ok 1291
191: ok 1292
191: ok 1293
191: ok 1294
191: ok 1295
191: ok 1296
191: ok 1297
191: ok 1298
191: ok 1299
191: ok 1300
191: ok 1301
191: ok 1302
191: ok 1303
191: ok 1304
191: ok 1305
191: ok 1306
191: ok 1307
191: ok 1308
191: ok 1309
191: ok 1310
191: ok 1311
191: ok 1312
191: ok 1313
191: ok 1314
191: ok 1315
191: ok 1316
191: ok 1317
191: ok 1318
191: ok 1319
191: ok 1320
191: ok 1321
191: ok 1322
191: ok 1323
191: ok 1324
191: ok 1325
191: ok 1326
191: ok 1327
191: ok 1328
191: ok 1329
191: ok 1330
191: ok 1331
191: ok 1332
191: ok 1333
191: ok 1334
191: ok 1335
191: ok 1336
191: ok 1337
191: ok 1338
191: ok 1339
191: ok 1340
191: ok 1341
191: ok 1342
191: ok 1343
191: ok 1344
191: ok 1345
191: ok 1346
191: ok 1347
191: ok 1348
191: ok 1349
191: ok 1350
191: ok 1351
191: ok 1352
191: ok 1353
191: ok 1354
191: ok 1355
191: ok 1356
191: ok 1357
191: ok 1358
191: ok 1359
191: ok 1360
191: ok 1361
191: ok 1362
191: ok 1363
191: ok 1364
191: ok 1365
191: ok 1366
191: ok 1367
191: ok 1368
191: ok 1369
191: ok 1370
191: ok 1371
191: ok 1372
191: ok 1373
191: ok 1374
191: ok 1375
191: ok 1376
191: ok 1377
191: ok 1378
191: ok 1379
191: ok 1380
191: ok 1381
191: ok 1382
191: ok 1383
191: ok 1384
191: ok 1385
191: ok 1386
191: ok 1387
191: ok 1388
191: ok 1389
191: ok 1390
191: ok 1391
191: ok 1392
191: ok 1393
191: ok 1394
191: ok 1395
191: ok 1396
191: ok 1397
191: ok 1398
191: ok 1399
191: ok 1400
191: ok 1401
191: ok 1402
191: ok 1403
191: ok 1404
191: ok 1405
191: ok 1406
191: ok 1407
191: ok 1408
191: ok 1409
191: ok 1410
191: ok 1411
191: ok 1412
191: ok 1413
191: ok 1414
191: ok 1415
191: ok 1416
191: ok 1417
191: ok 1418
191: ok 1419
191: ok 1420
191: ok 1421
191: ok 1422
191: ok 1423
191: ok 1424
191: ok 1425
191: ok 1426
191: ok 1427
191: ok 1428
191: ok 1429
191: ok 1430
191: ok 1431
191: ok 1432
191: ok 1433
191: ok 1434
191: ok 1435
191: ok 1436
191: ok 1437
191: ok 1438
191: ok 1439
191: ok 1440
191: ok 1441
191: ok 1442
191: ok 1443
191: ok 1444
191: ok 1445
191: ok 1446
191: ok 1447
191: ok 1448
191: ok 1449
191: ok 1450
191: ok 1451
191: ok 1452
191: ok 1453
191: ok 1454
191: ok 1455
191: ok 1456
191: ok 1457
191: ok 1458
191: ok 1459
191: ok 1460
191: ok 1461
191: ok 1462
191: ok 1463
191: ok 1464
191: ok 1465
191: ok 1466
191: ok 1467
191: ok 1468
191: ok 1469
191: ok 1470
191: ok 1471
191: ok 1472
191: ok 1473
191: ok 1474
191: ok 1475
191: ok 1476
191: ok 1477
191: ok 1478
191: ok 1479
191: ok 1480
191: ok 1481
191: ok 1482
191: ok 1483
191: ok 1484
191: ok 1485
191: ok 1486
191: ok 1487
191: ok 1488
191: ok 1489
191: ok 1490
191: ok 1491
191: ok 1492
191: ok 1493
191: ok 1494
191: ok 1495
191: ok 1496
191: ok 1497
191: ok 1498
191: ok 1499
191: ok 1500
191: ok 1501
191: ok 1502
191: ok 1503
191: ok 1504
191: ok 1505
191: ok 1506
191: ok 1507
191: ok 1508
191: ok 1509
191: ok 1510
191: ok 1511
191: ok 1512
191: ok 1513
191: ok 1514
191: ok 1515
191: ok 1516
191: ok 1517
191: ok 1518
191: ok 1519
191: ok 1520
191: ok 1521
191: ok 1522
191: ok 1523
191: ok 1524
191: ok 1525
191: ok 1526
191: ok 1527
191: ok 1528
191: ok 1529
191: ok 1530
191: ok 1531
191: ok 1532
191: ok 1533
191: ok 1534
191: ok 1535
191: ok 1536
191: ok 1537
191: ok 1538
191: ok 1539
191: ok 1540
191: ok 1541
191: ok 1542
191: ok 1543
191: ok 1544
191: ok 1545
191: ok 1546
191: ok 1547
191: ok 1548
191: ok 1549
191: ok 1550
191: ok 1551
191: ok 1552
191: ok 1553
191: ok 1554
191: ok 1555
191: ok 1556
191: ok 1557
191: ok 1558
191: ok 1559
191: ok 1560
191: ok 1561
191: ok 1562
191: ok 1563
191: ok 1564
191: ok 1565
191: ok 1566
191: ok 1567
191: ok 1568
191: ok 1569
191: ok 1570
191: ok 1571
191: ok 1572
191: ok 1573
191: ok 1574
191: ok 1575
191: ok 1576
191: ok 1577
191: ok 1578
191: ok 1579
191: ok 1580
191: ok 1581
191: ok 1582
191: ok 1583
191: ok 1584
191: ok 1585
191: ok 1586
191: ok 1587
191: ok 1588
191: ok 1589
191: ok 1590
191: ok 1591
191: ok 1592
191: ok 1593
191: ok 1594
191: ok 1595
191: ok 1596
191: ok 1597
191: ok 1598
191: ok 1599
191: ok 1600
191: ok 1601
191: ok 1602
191: ok 1603
191: ok 1604
191: ok 1605
191: ok 1606
191: ok 1607
191: ok 1608
191: ok 1609
191: ok 1610
191: ok 1611
191: ok 1612
191: ok 1613
191: ok 1614
191: ok 1615
191: ok 1616
191: ok 1617
191: ok 1618
191: ok 1619
191: ok 1620
191: ok 1621
191: ok 1622
191: ok 1623
191: ok 1624
191: ok 1625
191: ok 1626
191: ok 1627
191: ok 1628
191: ok 1629
191: ok 1630
191: ok 1631
191: ok 1632
191: ok 1633
191: ok 1634
191: ok 1635
191: ok 1636
191: ok 1637
191: ok 1638
191: ok 1639
191: ok 1640
191: ok 1641
191: ok 1642
191: ok 1643
191: ok 1644
191: ok 1645
191: ok 1646
191: ok 1647
191: ok 1648
191: ok 1649
191: ok 1650
191: ok 1651
191: ok 1652
191: ok 1653
191: ok 1654
191: ok 1655
191: ok 1656
191: ok 1657
191: ok 1658
191: ok 1659
191: ok 1660
191: ok 1661
191: ok 1662
191: ok 1663
191: ok 1664
191: ok 1665
191: ok 1666
191: ok 1667
191: ok 1668
191: ok 1669
191: ok 1670
191: ok 1671
191: ok 1672
191: ok 1673
191: ok 1674
191: ok 1675
191: ok 1676
191: ok 1677
191: ok 1678
191: ok 1679
191: ok 1680
191: ok 1681
191: ok 1682
191: ok 1683
191: ok 1684
191: ok 1685
191: ok 1686
191: ok 1687
191: ok 1688
191: ok 1689
191: ok 1690
191: ok 1691
191: ok 1692
191: ok 1693
191: ok 1694
191: ok 1695
191: ok 1696
191: ok 1697
191: ok 1698
191: ok 1699
191: ok 1700
191: ok 1701
191: ok 1702
191: ok 1703
191: ok 1704
191: ok 1705
191: ok 1706
191: ok 1707
191: ok 1708
191: ok 1709
191: ok 1710
191: ok 1711
191: ok 1712
191: ok 1713
191: ok 1714
191: ok 1715
191: ok 1716
191: ok 1717
191: ok 1718
191: ok 1719
191: ok 1720
191: ok 1721
191: ok 1722
191: ok 1723
191: ok 1724
191: ok 1725
191: ok 1726
191: ok 1727
191: ok 1728
191: ok 1729
191: ok 1730
191: ok 1731
191: ok 1732
191: ok 1733
191: ok 1734
191: ok 1735
191: ok 1736
191: ok 1737
191: ok 1738
191: ok 1739
191: ok 1740
191: ok 1741
191: ok 1742
191: ok 1743
191: ok 1744
191: ok 1745
191: ok 1746
191: ok 1747
191: ok 1748
191: ok 1749
191: ok 1750
191: ok 1751
191: ok 1752
191: ok 1753
191: ok 1754
191: ok 1755
191: ok 1756
191: ok 1757
191: ok 1758
191: ok 1759
191: ok 1760
191: ok 1761
191: ok 1762
191: ok 1763
191: ok 1764
191: ok 1765
191: ok 1766
191: ok 1767
191: ok 1768
191: ok 1769
191: ok 1770
191: ok 1771
191: ok 1772
191: ok 1773
191: ok 1774
191: ok 1775
191: ok 1776
191: ok 1777
191: ok 1778
191: ok 1779
191: ok 1780
191: ok 1781
191: ok 1782
191: ok 1783
191: ok 1784
191: ok 1785
191: ok 1786
191: ok 1787
191: ok 1788
191: ok 1789
191: ok 1790
191: ok 1791
191: ok 1792
191: ok 1793
191: ok 1794
191: ok 1795
191: ok 1796
191: ok 1797
191: ok 1798
191: ok 1799
191: ok 1800
191: ok 1801
191: ok 1802
191: ok 1803
191: ok 1804
191: ok 1805
191: ok 1806
191: ok 1807
191: ok 1808
191: ok 1809
191: ok 1810
191: ok 1811
191: ok 1812
191: ok 1813
191: ok 1814
191: ok 1815
191: ok 1816
191: ok 1817
191: ok 1818
191: ok 1819
191: ok 1820
191: ok 1821
191: ok 1822
191: ok 1823
191: ok 1824
191: ok 1825
191: ok 1826
191: ok 1827
191: ok 1828
191: ok 1829
191: ok 1830
191: ok 1831
191: ok 1832
191: ok 1833
191: ok 1834
191: ok 1835
191: ok 1836
191: ok 1837
191: ok 1838
191: ok 1839
191: ok 1840
191: ok 1841
191: ok 1842
191: ok 1843
191: ok 1844
191: ok 1845
191: ok 1846
191: ok 1847
191: ok 1848
191: ok 1849
191: ok 1850
191: ok 1851
191: ok 1852
191: ok 1853
191: ok 1854
191: ok 1855
191: ok 1856
191: ok 1857
191: ok 1858
191: ok 1859
191: ok 1860
191: ok 1861
191: ok 1862
191: ok 1863
191: ok 1864
191: ok 1865
191: ok 1866
191: ok 1867
191: ok 1868
191: ok 1869
191: ok 1870
191: ok 1871
191: ok 1872
191: ok 1873
191: ok 1874
191: ok 1875
191: ok 1876
191: ok 1877
191: ok 1878
191: ok 1879
191: ok 1880
191: ok 1881
191: ok 1882
191: ok 1883
191: ok 1884
191: ok 1885
191: ok 1886
191: ok 1887
191: ok 1888
191: ok 1889
191: ok 1890
191: ok 1891
191: ok 1892
191: ok 1893
191: ok 1894
191: ok 1895
191: ok 1896
191: ok 1897
191: ok 1898
191: ok 1899
191: ok 1900
191: ok 1901
191: ok 1902
191: ok 1903
191: ok 1904
191: ok 1905
191: ok 1906
191: ok 1907
191: ok 1908
191: ok 1909
191: ok 1910
191: ok 1911
191: ok 1912
191: ok 1913
191: ok 1914
191: ok 1915
191: ok 1916
191: ok 1917
191: ok 1918
191: ok 1919
191: ok 1920
191: ok 1921
191: ok 1922
191: ok 1923
191: ok 1924
191: ok 1925
191: ok 1926
191: ok 1927
191: ok 1928
191: ok 1929
191: ok 1930
191: ok 1931
191: ok 1932
191: ok 1933
191: ok 1934
191: ok 1935
191: ok 1936
191: ok 1937
191: ok 1938
191: ok 1939
191: ok 1940
191: ok 1941
191: ok 1942
191: ok 1943
191: ok 1944
191: ok 1945
191: ok 1946
191: ok 1947
191: ok 1948
191: ok 1949
191: ok 1950
191: ok 1951
191: ok 1952
191: ok 1953
191: ok 1954
191: ok 1955
191: ok 1956
191: ok 1957
191: ok 1958
191: ok 1959
191: ok 1960
191: ok 1961
191: ok 1962
191: ok 1963
191: ok 1964
191: ok 1965
191: ok 1966
191: ok 1967
191: ok 1968
191: ok 1969
191: ok 1970
191: ok 1971
191: ok 1972
191: ok 1973
191: ok 1974
191: ok 1975
191: ok 1976
191: ok 1977
191: ok 1978
191: ok 1979
191: ok 1980
191: ok 1981
191: ok 1982
191: ok 1983
191: ok 1984
191: ok 1985
191: ok 1986
191: ok 1987
191: ok 1988
191: ok 1989
191: ok 1990
191: ok 1991
191: ok 1992
191: ok 1993
191: ok 1994
191: ok 1995
191: ok 1996
191: ok 1997
191: ok 1998
191: ok 1999
191: ok 2000
191: ok 2001
191: ok 2002
191: ok 2003
191: ok 2004
191: ok 2005
191: ok 2006
191: ok 2007
191: ok 2008
191: ok 2009
191: ok 2010
191: ok 2011
191: ok 2012
191: ok 2013
191: ok 2014
191: ok 2015
191: ok 2016
191: ok 2017
191: ok 2018
191: ok 2019
191: ok 2020
191: ok 2021
191: ok 2022
191: ok 2023
191: ok 2024
191: ok 2025
191: ok 2026
191: ok 2027
191: ok 2028
191: ok 2029
191: ok 2030
191: ok 2031
191: ok 2032
191: ok 2033
191: ok 2034
191: ok 2035
191: ok 2036
191: ok 2037
191: ok 2038
191: ok 2039
191: ok 2040
191: ok 2041
191: ok 2042
191: ok 2043
191: ok 2044
191: ok 2045
191: ok 2046
191: ok 2047
191: ok 2048
191: ok 2049
191: ok 2050
191: ok 2051
191: ok 2052
191: ok 2053
191: ok 2054
191: ok 2055
191: ok 2056
191: ok 2057
191: ok 2058
191: ok 2059
191: ok 2060
191: ok 2061
191: ok 2062
191: ok 2063
191: ok 2064
191: ok 2065
191: ok 2066
191: ok 2067
191: ok 2068
191: ok 2069
191: ok 2070
191: ok 2071
191: ok 2072
191: ok 2073
191: ok 2074
191: ok 2075
191: ok 2076
191: ok 2077
191: ok 2078
191: ok 2079
191: ok 2080
191: ok 2081
191: ok 2082
191: ok 2083
191: ok 2084
191: ok 2085
191: ok 2086
191: ok 2087
191: ok 2088
191: ok 2089
191: ok 2090
191: ok 2091
191: ok 2092
191: ok 2093
191: ok 2094
191: ok 2095
191: ok 2096
191: ok 2097
191: ok 2098
191: ok 2099
191: ok 2100
191: ok 2101
191: ok 2102
191: ok 2103
191: ok 2104
191: ok 2105
191: ok 2106
191: ok 2107
191: ok 2108
191: ok 2109
191: ok 2110
191: ok 2111
191: ok 2112
191: ok 2113
191: ok 2114
191: ok 2115
191: ok 2116
191: ok 2117
191: ok 2118
191: ok 2119
191: ok 2120
191: ok 2121
191: ok 2122
191: ok 2123
191: ok 2124
191: ok 2125
191: ok 2126
191: ok 2127
191: ok 2128
191: ok 2129
191: ok 2130
191: ok 2131
191: ok 2132
191: ok 2133
191: ok 2134
191: ok 2135
191: ok 2136
191: ok 2137
191: ok 2138
191: ok 2139
191: ok 2140
191: ok 2141
191: ok 2142
191: ok 2143
191: ok 2144
191: ok 2145
191: ok 2146
191: ok 2147
191: ok 2148
191: ok 2149
191: ok 2150
191: ok 2151
191: ok 2152
191: ok 2153
191: ok 2154
191: ok 2155
191: ok 2156
191: ok 2157
191: ok 2158
191: ok 2159
191: ok 2160
191: ok 2161
191: ok 2162
191: ok 2163
191: ok 2164
191: ok 2165
191: ok 2166
191: ok 2167
191: ok 2168
191: ok 2169
191: ok 2170
191: ok 2171
191: ok 2172
191: ok 2173
191: ok 2174
191: ok 2175
191: ok 2176
191: ok 2177
191: ok 2178
191: ok 2179
191: ok 2180
191: ok 2181
191: ok 2182
191: ok 2183
191: ok 2184
191: ok 2185
191: ok 2186
191: ok 2187
191: ok 2188
191: ok 2189
191: ok 2190
191: ok 2191
191: ok 2192
191: ok 2193
191: ok 2194
191: ok 2195
191: ok 2196
191: ok 2197
191: ok 2198
191: ok 2199
191: ok 2200
191: ok 2201
191: ok 2202
191: ok 2203
191: ok 2204
191: ok 2205
191: ok 2206
191: ok 2207
191: ok 2208
191: ok 2209
191: ok 2210
191: ok 2211
191: ok 2212
191: ok 2213
191: ok 2214
191: ok 2215
191: ok 2216
191: ok 2217
191: ok 2218
191: ok 2219
191: ok 2220
191: ok 2221
191: ok 2222
191: ok 2223
191: ok 2224
191: ok 2225
191: ok 2226
191: ok 2227
191: ok 2228
191: ok 2229
191: ok 2230
191: ok 2231
191: ok 2232
191: ok 2233
191: ok 2234
191: ok 2235
191: ok 2236
191: ok 2237
191: ok 2238
191: ok 2239
191: ok 2240
191: ok 2241
191: ok 2242
191: ok 2243
191: ok 2244
191: ok 2245
191: ok 2246
191: ok 2247
191: ok 2248
191: ok 2249
191: ok 2250
191: ok 2251
191: ok 2252
191: ok 2253
191: ok 2254
191: ok 2255
191: ok 2256
191: ok 2257
191: ok 2258
191: ok 2259
191: ok 2260
191: ok 2261
191: ok 2262
191: ok 2263
191: ok 2264
191: ok 2265
191: ok 2266
191: ok 2267
191: ok 2268
191: ok 2269
191: ok 2270
191: ok 2271
191: ok 2272
191: ok 2273
191: ok 2274
191: ok 2275
191: ok 2276
191: ok 2277
191: ok 2278
191: ok 2279
191: ok 2280
191: ok 2281
191: ok 2282
191: ok 2283
191: ok 2284
191: ok 2285
191: ok 2286
191: ok 2287
191: ok 2288
191: ok 2289
191: ok 2290
191: ok 2291
191: ok 2292
191: ok 2293
191: ok 2294
191: ok 2295
191: ok 2296
191: ok 2297
191: ok 2298
191: ok 2299
191: ok 2300
191: ok 2301
191: ok 2302
191: ok 2303
191: ok 2304
191: ok 2305
191: ok 2306
191: ok 2307
191: ok 2308
191: ok 2309
191: ok 2310
191: ok 2311
191: ok 2312
191: ok 2313
191: ok 2314
191: ok 2315
191: ok 2316
191: ok 2317
191: ok 2318
191: ok 2319
191: ok 2320
191: ok 2321
191: ok 2322
191: ok 2323
191: ok 2324
191: ok 2325
191: ok 2326
191: ok 2327
191: ok 2328
191: ok 2329
191: ok 2330
191: ok 2331
191: ok 2332
191: ok 2333
191: ok 2334
191: ok 2335
191: ok 2336
191: ok 2337
191: ok 2338
191: ok 2339
191: ok 2340
191: ok 2341
191: ok 2342
191: ok 2343
191: ok 2344
191: ok 2345
191: ok 2346
191: ok 2347
191: ok 2348
191: ok 2349
191: ok 2350
191: ok 2351
191: ok 2352
191: ok 2353
191: ok 2354
191: ok 2355
191: ok 2356
191: ok 2357
191: ok 2358
191: ok 2359
191: ok 2360
191: ok 2361
191: ok 2362
191: ok 2363
191: ok 2364
191: ok 2365
191: ok 2366
191: ok 2367
191: ok 2368
191: ok 2369
191: ok 2370
191: ok 2371
191: ok 2372
191: ok 2373
191: ok 2374
191: ok 2375
191: ok 2376
191: ok 2377
191: ok 2378
191: ok 2379
191: ok 2380
191: ok 2381
191: ok 2382
191: ok 2383
191: ok 2384
191: ok 2385
191: ok 2386
191: ok 2387
191: ok 2388
191: ok 2389
191: ok 2390
191: ok 2391
191: ok 2392
191: ok 2393
191: ok 2394
191: ok 2395
191: ok 2396
191: ok 2397
191: ok 2398
191: ok 2399
191: ok 2400
191: ok 2401
191: ok 2402
191: ok 2403
191: ok 2404
191: ok 2405
191: ok 2406
191: ok 2407
191: ok 2408
191: ok 2409
191: ok 2410
191: ok 2411
191: ok 2412
191: ok 2413
191: ok 2414
191: ok 2415
191: ok 2416
191: ok 2417
191: ok 2418
191: ok 2419
191: ok 2420
191: ok 2421
191: ok 2422
191: ok 2423
191: ok 2424
191: ok 2425
191: ok 2426
191: ok 2427
191: ok 2428
191: ok 2429
191: ok 2430
191: ok 2431
191: ok 2432
191: ok 2433
191: ok 2434
191: ok 2435
191: ok 2436
191: ok 2437
191: ok 2438
191: ok 2439
191: ok 2440
191: ok 2441
191: ok 2442
191: ok 2443
191: ok 2444
191: ok 2445
191: ok 2446
191: ok 2447
191: ok 2448
191: ok 2449
191: ok 2450
191: ok 2451
191: ok 2452
191: ok 2453
191: ok 2454
191: ok 2455
191: ok 2456
191: ok 2457
191: ok 2458
191: ok 2459
191: ok 2460
191: ok 2461
191: ok 2462
191: ok 2463
191: ok 2464
191: ok 2465
191: ok 2466
191: ok 2467
191: ok 2468
191: ok 2469
191: ok 2470
191: ok 2471
191: ok 2472
191: ok 2473
191: ok 2474
191: ok 2475
191: ok 2476
191: ok 2477
191: ok 2478
191: ok 2479
191: ok 2480
191: ok 2481
191: ok 2482
191: ok 2483
191: ok 2484
191: ok 2485
191: ok 2486
191: ok 2487
191: ok 2488
191: ok 2489
191: ok 2490
191: ok 2491
191: ok 2492
191: ok 2493
191: ok 2494
191: ok 2495
191: ok 2496
191: ok 2497
191: ok 2498
191: ok 2499
191: ok 2500
191: ok 2501
191: ok 2502
191: ok 2503
191: ok 2504
191: ok 2505
191: ok 2506
191: ok 2507
191: ok 2508
191: ok 2509
191: ok 2510
191: ok 2511
191: ok 2512
191: ok 2513
191: ok 2514
191: ok 2515
191: ok 2516
191: ok 2517
191: ok 2518
191: ok 2519
191: ok 2520
191: ok 2521
191: ok 2522
191: ok 2523
191: ok 2524
191: ok 2525
191: ok 2526
191: ok 2527
191: ok 2528
191: ok 2529
191: ok 2530
191: ok 2531
191: ok 2532
191: ok 2533
191: ok 2534
191: ok 2535
191: ok 2536
191: ok 2537
191: ok 2538
191: ok 2539
191: ok 2540
191: ok 2541
191: ok 2542
191: ok 2543
191: ok 2544
191: ok 2545
191: ok 2546
191: ok 2547
191: ok 2548
191: ok 2549
191: ok 2550
191: ok 2551
191: ok 2552
191: ok 2553
191: ok 2554
191: ok 2555
191: ok 2556
191: ok 2557
191: ok 2558
191: ok 2559
191: ok 2560
191: ok 2561
191: ok 2562
191: ok 2563
191: ok 2564
191: ok 2565
191: ok 2566
191: ok 2567
191: ok 2568
191: ok 2569
191: ok 2570
191: ok 2571
191: ok 2572
191: ok 2573
191: ok 2574
191: ok 2575
191: ok 2576
191: ok 2577
191: ok 2578
191: ok 2579
191: ok 2580
191: ok 2581
191: ok 2582
191: ok 2583
191: ok 2584
191: ok 2585
191: ok 2586
191: ok 2587
191: ok 2588
191: ok 2589
191: ok 2590
191: ok 2591
191: ok 2592
191: ok 2593
191: ok 2594
191: ok 2595
191: ok 2596
191: ok 2597
191: ok 2598
191: ok 2599
191: ok 2600
191: ok 2601
191: ok 2602
191: ok 2603
191: ok 2604
191: ok 2605
191: ok 2606
191: ok 2607
191: ok 2608
191: ok 2609
191: ok 2610
191: ok 2611
191: ok 2612
191: ok 2613
191: ok 2614
191: ok 2615
191: ok 2616
191: ok 2617
191: ok 2618
191: ok 2619
191: ok 2620
191: ok 2621
191: ok 2622
191: ok 2623
191: ok 2624
191: ok 2625
191: ok 2626
191: ok 2627
191: ok 2628
191: ok 2629
191: ok 2630
191: ok 2631
191: ok 2632
191: ok 2633
191: ok 2634
191: ok 2635
191: ok 2636
191: ok 2637
191: ok 2638
191: ok 2639
191: ok 2640
191: ok 2641
191: ok 2642
191: ok 2643
191: ok 2644
191: ok 2645
191: ok 2646
191: ok 2647
191: ok 2648
191: ok 2649
191: ok 2650
191: ok 2651
191: ok 2652
191: ok 2653
191: ok 2654
191: ok 2655
191: ok 2656
191: ok 2657
191: ok 2658
191: ok 2659
191: ok 2660
191: ok 2661
191: ok 2662
191: ok 2663
191: ok 2664
191: ok 2665
191: ok 2666
191: ok 2667
191: ok 2668
191: ok 2669
191: ok 2670
191: ok 2671
191: ok 2672
191: ok 2673
191: ok 2674
191: ok 2675
191: ok 2676
191: ok 2677
191: ok 2678
191: ok 2679
191: ok 2680
191: ok 2681
191: ok 2682
191: ok 2683
191: ok 2684
191: ok 2685
191: ok 2686
191: ok 2687
191: ok 2688
191: ok 2689
191: ok 2690
191: ok 2691
191: ok 2692
191: ok 2693
191: ok 2694
191: ok 2695
191: ok 2696
191: ok 2697
191: ok 2698
191: ok 2699
191: ok 2700
191: ok 2701
191: ok 2702
191: ok 2703
191: ok 2704
191: ok 2705
191: ok 2706
191: ok 2707
191: ok 2708
191: ok 2709
191: ok 2710
191: ok 2711
191: ok 2712
191: ok 2713
191: ok 2714
191: ok 2715
191: ok 2716
191: ok 2717
191: ok 2718
191: ok 2719
191: ok 2720
191: ok 2721
191: ok 2722
191: ok 2723
191: ok 2724
191: ok 2725
191: ok 2726
191: ok 2727
191: ok 2728
191: ok 2729
191: ok 2730
191: ok 2731
191: ok 2732
191: ok 2733
191: ok 2734
191: ok 2735
191: ok 2736
191: ok 2737
191: ok 2738
191: ok 2739
191: ok 2740
191: ok 2741
191: ok 2742
191: ok 2743
191: ok 2744
191: ok 2745
191: ok 2746
191: ok 2747
191: ok 2748
191: ok 2749
191: ok 2750
191: ok 2751
191: ok 2752
191: ok 2753
191: ok 2754
191: ok 2755
191: ok 2756
191: ok 2757
191: ok 2758
191: ok 2759
191: ok 2760
191: ok 2761
191: ok 2762
191: ok 2763
191: ok 2764
191: ok 2765
191: ok 2766
191: ok 2767
191: ok 2768
191: ok 2769
191: ok 2770
191: ok 2771
191: ok 2772
191: ok 2773
191: ok 2774
191: ok 2775
191: ok 2776
191: ok 2777
191: ok 2778
191: ok 2779
191: ok 2780
191: ok 2781
191: ok 2782
191: ok 2783
191: ok 2784
191: ok 2785
191: ok 2786
191: ok 2787
191: ok 2788
191: ok 2789
191: ok 2790
191: ok 2791
191: ok 2792
191: ok 2793
191: ok 2794
191: ok 2795
191: ok 2796
191: ok 2797
191: ok 2798
191: ok 2799
191: ok 2800
191: ok 2801
191: ok 2802
191: ok 2803
191: ok 2804
191: ok 2805
191: ok 2806
191: ok 2807
191: ok 2808
191: ok 2809
191: ok 2810
191: ok 2811
191: ok 2812
191: ok 2813
191: ok 2814
191: ok 2815
191: ok 2816
191: ok 2817
191: ok 2818
191: ok 2819
191: ok 2820
191: ok 2821
191: ok 2822
191: ok 2823
191: ok 2824
191: ok 2825
191: ok 2826
191: ok 2827
191: ok 2828
191: ok 2829
191: ok 2830
191: ok 2831
191: ok 2832
191: ok 2833
191: ok 2834
191: ok 2835
191: ok 2836
191: ok 2837
191: ok 2838
191: ok 2839
191: ok 2840
191: ok 2841
191: ok 2842
191: ok 2843
191: ok 2844
191: ok 2845
191: ok 2846
191: ok 2847
191: ok 2848
191: ok 2849
191: ok 2850
191: ok 2851
191: ok 2852
191: ok 2853
191: ok 2854
191: ok 2855
191: ok 2856
191: ok 2857
191: ok 2858
191: ok 2859
191: ok 2860
191: ok 2861
191: ok 2862
191: ok 2863
191: ok 2864
191: ok 2865
191: ok 2866
191: ok 2867
191: ok 2868
191: ok 2869
191: ok 2870
191: ok 2871
191: ok 2872
191: ok 2873
191: ok 2874
191: ok 2875
191: ok 2876
191: ok 2877
191: ok 2878
191: ok 2879
191: ok 2880
191: ok 2881
191: ok 2882
191: ok 2883
191: ok 2884
191: ok 2885
191: ok 2886
191: ok 2887
191: ok 2888
191: ok 2889
191: ok 2890
191: ok 2891
191: ok 2892
191: ok 2893
191: ok 2894
191: ok 2895
191: ok 2896
191: ok 2897
191: ok 2898
191: ok 2899
191: ok 2900
191: ok 2901
191: ok 2902
191: ok 2903
191: ok 2904
191: ok 2905
191: ok 2906
191: ok 2907
191: ok 2908
191: ok 2909
191: ok 2910
191: ok 2911
191: ok 2912
191: ok 2913
191: ok 2914
191: ok 2915
191: ok 2916
191: ok 2917
191: ok 2918
191: ok 2919
191: ok 2920
191: ok 2921
191: ok 2922
191: ok 2923
191: ok 2924
191: ok 2925
191: ok 2926
191: ok 2927
191: ok 2928
191: ok 2929
191: ok 2930
191: ok 2931
191: ok 2932
191: ok 2933
191: ok 2934
191: ok 2935
191: ok 2936
191: ok 2937
191: ok 2938
191: ok 2939
191: ok 2940
191: ok 2941
191: ok 2942
191: ok 2943
191: ok 2944
191: ok 2945
191: ok 2946
191: ok 2947
191: ok 2948
191: ok 2949
191: ok 2950
191: ok 2951
191: ok 2952
191: ok 2953
191: ok 2954
191: ok 2955
191: ok 2956
191: ok 2957
191: ok 2958
191: ok 2959
191: ok 2960
191: ok 2961
191: ok 2962
191: ok 2963
191: ok 2964
191: ok 2965
191: ok 2966
191: ok 2967
191: ok 2968
191: ok 2969
191: ok 2970
191: ok 2971
191: ok 2972
191: ok 2973
191: ok 2974
191: ok 2975
191: ok 2976
191: ok 2977
191: ok 2978
191: ok 2979
191: ok 2980
191: ok 2981
191: ok 2982
191: ok 2983
191: ok 2984
191: ok 2985
191: ok 2986
191: ok 2987
191: ok 2988
191: ok 2989
191: ok 2990
191: ok 2991
191: ok 2992
191: ok 2993
191: ok 2994
191: ok 2995
191: ok 2996
191: ok 2997
191: ok 2998
191: ok 2999
191: ok 3000
191: ok 3001
191: ok 3002
191: ok 3003
191: ok 3004
191: ok 3005
191: ok 3006
191: ok 3007
191: ok 3008
191: ok 3009
191: ok 3010
191: ok 3011
191: ok 3012
191: ok 3013
191: ok 3014
191: ok 3015
191: ok 3016
191: ok 3017
191: ok 3018
191: ok 3019
191: ok 3020
191: ok 3021
191: ok 3022
191: ok 3023
191: ok 3024
191: ok 3025
191: ok 3026
191: ok 3027
191: ok 3028
191: ok 3029
191: ok 3030
191: ok 3031
191: ok 3032
191: ok 3033
191: ok 3034
191: ok 3035
191: ok 3036
191: ok 3037
191: ok 3038
191: ok 3039
191: ok 3040
191: ok 3041
191: ok 3042
191: ok 3043
191: ok 3044
191: ok 3045
191: ok 3046
191: ok 3047
191: ok 3048
191: ok 3049
191: ok 3050
191: ok 3051
191: ok 3052
191: ok 3053
191: ok 3054
191: ok 3055
191: ok 3056
191: ok 3057
191: ok 3058
191: ok 3059
191: ok 3060
191: ok 3061
191: ok 3062
191: ok 3063
191: ok 3064
191: ok 3065
191: ok 3066
191: ok 3067
191: ok 3068
191: ok 3069
191: ok 3070
191: ok 3071
191: ok 3072
191: ok 3073
191: ok 3074
191: ok 3075
191: ok 3076
191: ok 3077
191: ok 3078
191: ok 3079
191: ok 3080
191: ok 3081
191: ok 3082
191: ok 3083
191: ok 3084
191: ok 3085
191: ok 3086
191: ok 3087
191: ok 3088
191: ok 3089
191: ok 3090
191: ok 3091
191: ok 3092
191: ok 3093
191: ok 3094
191: ok 3095
191: ok 3096
191: ok 3097
191: ok 3098
191: ok 3099
191: ok 3100
191: ok 3101
191: ok 3102
191: ok 3103
191: ok 3104
191: ok 3105
191: ok 3106
191: ok 3107
191: ok 3108
191: ok 3109
191: ok 3110
191: ok 3111
191: ok 3112
191: ok 3113
191: ok 3114
191: ok 3115
191: ok 3116
191: ok 3117
191: ok 3118
191: ok 3119
191: ok 3120
191: ok 3121
191: ok 3122
191: ok 3123
191: ok 3124
191: ok 3125
191: ok 3126
191: ok 3127
191: ok 3128
191: ok 3129
191: ok 3130
191: ok 3131
191: ok 3132
191: ok 3133
191: ok 3134
191: ok 3135
191: ok 3136
191: ok 3137
191: ok 3138
191: ok 3139
191: ok 3140
191: ok 3141
191: ok 3142
191: ok 3143
191: ok 3144
191: ok 3145
191: ok 3146
191: ok 3147
191: ok 3148
191: ok 3149
191: ok 3150
191: ok 3151
191: ok 3152
191: ok 3153
191: ok 3154
191: ok 3155
191: ok 3156
191: ok 3157
191: ok 3158
191: ok 3159
191: ok 3160
191: ok 3161
191: ok 3162
191: ok 3163
191: ok 3164
191: ok 3165
191: ok 3166
191: ok 3167
191: ok 3168
191: ok 3169
191: ok 3170
191: ok 3171
191: ok 3172
191: ok 3173
191: ok 3174
191: ok 3175
191: ok 3176
191: ok 3177
191: ok 3178
191: ok 3179
191: ok 3180
191: ok 3181
191: ok 3182
191: ok 3183
191: ok 3184
191: ok 3185
191: ok 3186
191: ok 3187
191: ok 3188
191: ok 3189
191: ok 3190
191: ok 3191
191: ok 3192
191: ok 3193
191: ok 3194
191: ok 3195
191: ok 3196
191: ok 3197
191: ok 3198
191: ok 3199
191: ok 3200
191: ok 3201
191: ok 3202
191: ok 3203
191: ok 3204
191: ok 3205
191: ok 3206
191: ok 3207
191: ok 3208
191: ok 3209
191: ok 3210
191: ok 3211
191: ok 3212
191: ok 3213
191: ok 3214
191: ok 3215
191: ok 3216
191: ok 3217
191: ok 3218
191: ok 3219
191: ok 3220
191: ok 3221
191: ok 3222
191: ok 3223
191: ok 3224
191: ok 3225
191: ok 3226
191: ok 3227
191: ok 3228
191: ok 3229
191: ok 3230
191: ok 3231
191: ok 3232
191: ok 3233
191: ok 3234
191: ok 3235
191: ok 3236
191: ok 3237
191: ok 3238
191: ok 3239
191: ok 3240
191: ok 3241
191: ok 3242
191: ok 3243
191: ok 3244
191: ok 3245
191: ok 3246
191: ok 3247
191: ok 3248
191: ok 3249
191: ok 3250
191: ok 3251
191: ok 3252
191: ok 3253
191: ok 3254
191: ok 3255
191: ok 3256
191: ok 3257
191: ok 3258
191: ok 3259
191: ok 3260
191: ok 3261
191: ok 3262
191: ok 3263
191: ok 3264
191: ok 3265
191: ok 3266
191: ok 3267
191: ok 3268
191: ok 3269
191: ok 3270
191: ok 3271
191: ok 3272
191: ok 3273
191: ok 3274
191: ok 3275
191: ok 3276
191: ok 3277
191: ok 3278
191: ok 3279
191: ok 3280
191: ok 3281
191: ok 3282
191: ok 3283
191: ok 3284
191: ok 3285
191: ok 3286
191: ok 3287
191: ok 3288
191: ok 3289
191: ok 3290
191: ok 3291
191: ok 3292
191: ok 3293
191: ok 3294
191: ok 3295
191: ok 3296
191: ok 3297
191: ok 3298
191: ok 3299
191: ok 3300
191: ok 3301
191: ok 3302
191: ok 3303
191: ok 3304
191: ok 3305
191: ok 3306
191: ok 3307
191: ok 3308
191: ok 3309
191: ok 3310
191: ok 3311
191: ok 3312
191: ok 3313
191: ok 3314
191: ok 3315
191: ok 3316
191: ok 3317
191: ok 3318
191: ok 3319
191: ok 3320
191: ok 3321
191: ok 3322
191: ok 3323
191: ok 3324
191: ok 3325
191: ok 3326
191: ok 3327
191: ok 3328
191: ok 3329
191: ok 3330
191: ok 3331
191: ok 3332
191: ok 3333
191: ok 3334
191: ok 3335
191: ok 3336
191: ok 3337
191: ok 3338
191: ok 3339
191: ok 3340
191: ok 3341
191: ok 3342
191: ok 3343
191: ok 3344
191: ok 3345
191: ok 3346
191: ok 3347
191: ok 3348
191: ok 3349
191: ok 3350
191: ok 3351
191: ok 3352
191: ok 3353
191: ok 3354
191: ok 3355
191: ok 3356
191: ok 3357
191: ok 3358
191: ok 3359
191: ok 3360
191: ok 3361
191: ok 3362
191: ok 3363
191: ok 3364
191: ok 3365
191: ok 3366
191: ok 3367
191: ok 3368
191: ok 3369
191: ok 3370
191: ok 3371
191: ok 3372
191: ok 3373
191: ok 3374
191: ok 3375
191: ok 3376
191: ok 3377
191: ok 3378
191: ok 3379
191: ok 3380
191: ok 3381
191: ok 3382
191: ok 3383
191: ok 3384
191: ok 3385
191: ok 3386
191: ok 3387
191: ok 3388
191: ok 3389
191: ok 3390
191: ok 3391
191: ok 3392
191: ok 3393
191: ok 3394
191: ok 3395
191: ok 3396
191: ok 3397
191: ok 3398
191: ok 3399
191: ok 3400
191: ok 3401
191: ok 3402
191: ok 3403
191: ok 3404
191: ok 3405
191: ok 3406
191: ok 3407
191: ok 3408
191: ok 3409
191: ok 3410
191: ok 3411
191: ok 3412
191: ok 3413
191: ok 3414
191: ok 3415
191: ok 3416
191: ok 3417
191: ok 3418
191: ok 3419
191: ok 3420
191: ok 3421
191: ok 3422
191: ok 3423
191: ok 3424
191: ok 3425
191: ok 3426
191: ok 3427
191: ok 3428
191: ok 3429
191: ok 3430
191: ok 3431
191: ok 3432
191: ok 3433
191: ok 3434
191: ok 3435
191: ok 3436
191: ok 3437
191: ok 3438
191: ok 3439
191: ok 3440
191: ok 3441
191: ok 3442
191: ok 3443
191: ok 3444
191: ok 3445
191: ok 3446
191: ok 3447
191: ok 3448
191: ok 3449
191: ok 3450
191: ok 3451
191: ok 3452
191: ok 3453
191: ok 3454
191: ok 3455
191: ok 3456
191: ok 3457
191: ok 3458
191: ok 3459
191: ok 3460
191: ok 3461
191: ok 3462
191: ok 3463
191: ok 3464
191: ok 3465
191: ok 3466
191: ok 3467
191: ok 3468
191: ok 3469
191: ok 3470
191: ok 3471
191: ok 3472
191: ok 3473
191: ok 3474
191: ok 3475
191: ok 3476
191: ok 3477
191: ok 3478
191: ok 3479
191: ok 3480
191: ok 3481
191: ok 3482
191: ok 3483
191: ok 3484
191: ok 3485
191: ok 3486
191: ok 3487
191: ok 3488
191: ok 3489
191: ok 3490
191: ok 3491
191: ok 3492
191: ok 3493
191: ok 3494
191: ok 3495
191: ok 3496
191: ok 3497
191: ok 3498
191: ok 3499
191: ok 3500
191: ok 3501
191: ok 3502
191: ok 3503
191: ok 3504
191: ok 3505
191: ok 3506
191: ok 3507
191: ok 3508
191: ok 3509
191: ok 3510
191: ok 3511
191: ok 3512
191: ok 3513
191: ok 3514
191: ok 3515
191: ok 3516
191: ok 3517
191: ok 3518
191: ok 3519
191: ok 3520
191: ok 3521
191: ok 3522
191: ok 3523
191: ok 3524
191: ok 3525
191: ok 3526
191: ok 3527
191: ok 3528
191: ok 3529
191: ok 3530
191: ok 3531
191: ok 3532
191: ok 3533
191: ok 3534
191: ok 3535
191: ok 3536
191: ok 3537
191: ok 3538
191: ok 3539
191: ok 3540
191: ok 3541
191: ok 3542
191: ok 3543
191: ok 3544
191: ok 3545
191: ok 3546
191: ok 3547
191: ok 3548
191: ok 3549
191: ok 3550
191: ok 3551
191: ok 3552
191: ok 3553
191: ok 3554
191: ok 3555
191: ok 3556
191: ok 3557
191: ok 3558
191: ok 3559
191: ok 3560
191: ok 3561
191: ok 3562
191: ok 3563
191: ok 3564
191: ok 3565
191: ok 3566
191: ok 3567
191: ok 3568
191: ok 3569
191: ok 3570
191: ok 3571
191: ok 3572
191: ok 3573
191: ok 3574
191: ok 3575
191: ok 3576
191: ok 3577
191: ok 3578
191: ok 3579
191: ok 3580
191: ok 3581
191: ok 3582
191: ok 3583
191: ok 3584
191: ok 3585
191: ok 3586
191: ok 3587
191: ok 3588
191: ok 3589
191: ok 3590
191: ok 3591
191: ok 3592
191: ok 3593
191: ok 3594
191: ok 3595
191: ok 3596
191: ok 3597
191: ok 3598
191: ok 3599
191: ok 3600
191: ok 3601
191: ok 3602
191: ok 3603
191: ok 3604
191: ok 3605
191: ok 3606
191: ok 3607
191: ok 3608
191: ok 3609
191: ok 3610
191: ok 3611
191: ok 3612
191: ok 3613
191: ok 3614
191: ok 3615
191: ok 3616
191: ok 3617
191: ok 3618
191: ok 3619
191: ok 3620
191: ok 3621
191: ok 3622
191: ok 3623
191: ok 3624
191: ok 3625
191: ok 3626
191: ok 3627
191: ok 3628
191: ok 3629
191: ok 3630
191: ok 3631
191: ok 3632
191: ok 3633
191: ok 3634
191: ok 3635
191: ok 3636
191: ok 3637
191: ok 3638
191: ok 3639
191: ok 3640
191: ok 3641
191: ok 3642
191: ok 3643
191: ok 3644
191: ok 3645
191: ok 3646
191: ok 3647
191: ok 3648
191: ok 3649
191: ok 3650
191: ok 3651
191: ok 3652
191: ok 3653
191: ok 3654
191: ok 3655
191: ok 3656
191: ok 3657
191: ok 3658
191: ok 3659
191: ok 3660
191: ok 3661
191: ok 3662
191: ok 3663
191: ok 3664
191: ok 3665
191: ok 3666
191: ok 3667
191: ok 3668
191: ok 3669
191: ok 3670
191: ok 3671
191: ok 3672
191: ok 3673
191: ok 3674
191: ok 3675
191: ok 3676
191: ok 3677
191: ok 3678
191: ok 3679
191: ok 3680
191: ok 3681
191: ok 3682
191: ok 3683
191: ok 3684
191: ok 3685
191: ok 3686
191: ok 3687
191: ok 3688
191: ok 3689
191: ok 3690
191: ok 3691
191: ok 3692
191: ok 3693
191: ok 3694
191: ok 3695
191: ok 3696
191: ok 3697
191: ok 3698
191: ok 3699
191: ok 3700
191: ok 3701
191: ok 3702
191: ok 3703
191: ok 3704
191: ok 3705
191: ok 3706
191: ok 3707
191: ok 3708
191: ok 3709
191: ok 3710
191: ok 3711
191: ok 3712
191: ok 3713
191: ok 3714
191: ok 3715
191: ok 3716
191: ok 3717
191: ok 3718
191: ok 3719
191: ok 3720
191: ok 3721
191: ok 3722
191: ok 3723
191: ok 3724
191: ok 3725
191: ok 3726
191: ok 3727
191: ok 3728
191: ok 3729
191: ok 3730
191: ok 3731
191: ok 3732
191: ok 3733
191: ok 3734
191: ok 3735
191: ok 3736
191: ok 3737
191: ok 3738
191: ok 3739
191: ok 3740
191: ok 3741
191: ok 3742
191: ok 3743
191: ok 3744
191: ok 3745
191: ok 3746
191: ok 3747
191: ok 3748
191: ok 3749
191: ok 3750
191: ok 3751
191: ok 3752
191: ok 3753
191: ok 3754
191: ok 3755
191: ok 3756
191: ok 3757
191: ok 3758
191: ok 3759
191: ok 3760
191: ok 3761
191: ok 3762
191: ok 3763
191: ok 3764
191: ok 3765
191: ok 3766
191: ok 3767
191: ok 3768
191: ok 3769
191: ok 3770
191: ok 3771
191: ok 3772
191: ok 3773
191: ok 3774
191: ok 3775
191: ok 3776
191: ok 3777
191: ok 3778
191: ok 3779
191: ok 3780
191: ok 3781
191: ok 3782
191: ok 3783
191: ok 3784
191: ok 3785
191: ok 3786
191: ok 3787
191: ok 3788
191: ok 3789
191: ok 3790
191: ok 3791
191: ok 3792
191: ok 3793
191: ok 3794
191: ok 3795
191: ok 3796
191: ok 3797
191: ok 3798
191: ok 3799
191: ok 3800
191: ok 3801
191: ok 3802
191: ok 3803
191: ok 3804
191: ok 3805
191: ok 3806
191: ok 3807
191: ok 3808
191: ok 3809
191: ok 3810
191: ok 3811
191: ok 3812
191: ok 3813
191: ok 3814
191: ok 3815
191: ok 3816
191: ok 3817
191: ok 3818
191: ok 3819
191: ok 3820
191: ok 3821
191: ok 3822
191: ok 3823
191: ok 3824
191: ok 3825
191: ok 3826
191: ok 3827
191: ok 3828
191: ok 3829
191: ok 3830
191: ok 3831
191: ok 3832
191: ok 3833
191: ok 3834
191: ok 3835
191: ok 3836
191: ok 3837
191: ok 3838
191: ok 3839
191: ok 3840
191: ok 3841
191: ok 3842
191: ok 3843
191: ok 3844
191: ok 3845
191: ok 3846
191: ok 3847
191: ok 3848
191: ok 3849
191: ok 3850
191: ok 3851
191: ok 3852
191: ok 3853
191: ok 3854
191: ok 3855
191: ok 3856
191: ok 3857
191: ok 3858
191: ok 3859
191: ok 3860
191: ok 3861
191: ok 3862
191: ok 3863
191: ok 3864
191: ok 3865
191: ok 3866
191: ok 3867
191: ok 3868
191: ok 3869
191: ok 3870
191: ok 3871
191: ok 3872
191: ok 3873
191: ok 3874
191: ok 3875
191: ok 3876
191: ok 3877
191: ok 3878
191: ok 3879
191: ok 3880
191: ok 3881
191: ok 3882
191: ok 3883
191: ok 3884
191: ok 3885
191: ok 3886
191: ok 3887
191: ok 3888
191: ok 3889
191: ok 3890
191: ok 3891
191: ok 3892
191: ok 3893
191: ok 3894
191: ok 3895
191: ok 3896
191: ok 3897
191: ok 3898
191: ok 3899
191: ok 3900
191: ok 3901
191: ok 3902
191: ok 3903
191: ok 3904
191: ok 3905
191: ok 3906
191: ok 3907
191: ok 3908
191: ok 3909
191: ok 3910
191: ok 3911
191: ok 3912
191: ok 3913
191: ok 3914
191: ok 3915
191: ok 3916
191: ok 3917
191: ok 3918
191: ok 3919
191: ok 3920
191: ok 3921
191: ok 3922
191: ok 3923
191: ok 3924
191: ok 3925
191: ok 3926
191: ok 3927
191: ok 3928
191: ok 3929
191: ok 3930
191: ok 3931
191: ok 3932
191: ok 3933
191: ok 3934
191: ok 3935
191: ok 3936
191: ok 3937
191: ok 3938
191: ok 3939
191: ok 3940
191: ok 3941
191: ok 3942
191: ok 3943
191: ok 3944
191: ok 3945
191: ok 3946
191: ok 3947
191: ok 3948
191: ok 3949
191: ok 3950
191: ok 3951
191: ok 3952
191: ok 3953
191: ok 3954
191: ok 3955
191: ok 3956
191: ok 3957
191: ok 3958
191: ok 3959
191: ok 3960
191: ok 3961
191: ok 3962
191: ok 3963
191: ok 3964
191: ok 3965
191: ok 3966
191: ok 3967
191: ok 3968
191: ok 3969
191: ok 3970
191: ok 3971
191: ok 3972
191: ok 3973
191: ok 3974
191: ok 3975
191: ok 3976
191: ok 3977
191: ok 3978
191: ok 3979
191: ok 3980
191: ok 3981
191: ok 3982
191: ok 3983
191: ok 3984
191: ok 3985
191: ok 3986
191: ok 3987
191: ok 3988
191: ok 3989
191: ok 3990
191: ok 3991
191: ok 3992
191: ok 3993
191: ok 3994
191: ok 3995
191: ok 3996
191: ok 3997
191: ok 3998
191: ok 3999
191: ok 4000
191: ok 4001
191: ok 4002
191: ok 4003
191: ok 4004
191: ok 4005
191: ok 4006
191: ok 4007
191: ok 4008
191: ok 4009
191: ok 4010
191: ok 4011
191: ok 4012
191: ok 4013
191: ok 4014
191: ok 4015
191: ok 4016
191: ok 4017
191: ok 4018
191: ok 4019
191: ok 4020
191: ok 4021
191: ok 4022
191: ok 4023
191: ok 4024
191: ok 4025
191: ok 4026
191: ok 4027
191: ok 4028
191: ok 4029
191: ok 4030
191: ok 4031
191: ok 4032
191: ok 4033
191: ok 4034
191: ok 4035
191: ok 4036
191: ok 4037
191: ok 4038
191: ok 4039
191: ok 4040
191: ok 4041
191: ok 4042
191: ok 4043
191: ok 4044
191: ok 4045
191: ok 4046
191: ok 4047
191: ok 4048
191: ok 4049
191: ok 4050
191: ok 4051
191: ok 4052
191: ok 4053
191: ok 4054
191: ok 4055
191: ok 4056
191: ok 4057
191: ok 4058
191: ok 4059
191: ok 4060
191: ok 4061
191: ok 4062
191: ok 4063
191: ok 4064
191: ok 4065
191: ok 4066
191: ok 4067
191: ok 4068
191: ok 4069
191: ok 4070
191: ok 4071
191: ok 4072
191: ok 4073
191: ok 4074
191: ok 4075
191: ok 4076
191: ok 4077
191: ok 4078
191: ok 4079
191: ok 4080
191: ok 4081
191: ok 4082
191: ok 4083
191: ok 4084
191: ok 4085
191: ok 4086
191: ok 4087
191: ok 4088
191: ok 4089
191: ok 4090
191: ok 4091
191: ok 4092
191: ok 4093
191: ok 4094
191: ok 4095
191: ok 4096
191: ok 4097
191: ok 4098
191: ok 4099
191: ok 4100
191: ok 4101
191: ok 4102
191: ok 4103
191: ok 4104
191: ok 4105
191: ok 4106
191: ok 4107
191: ok 4108
191: ok 4109
191: ok 4110
191: ok 4111
191: ok 4112
191: ok 4113
191: ok 4114
191: ok 4115
191: ok 4116
191: ok 4117
191: ok 4118
191: ok 4119
191: ok 4120
191: ok 4121
191: ok 4122
191: ok 4123
191: ok 4124
191: ok 4125
191: ok 4126
191: ok 4127
191: ok 4128
191: ok 4129
191: ok 4130
191: ok 4131
191: ok 4132
191: ok 4133
191: ok 4134
191: ok 4135
191: ok 4136
191: ok 4137
191: ok 4138
191: ok 4139
191: ok 4140
191: ok 4141
191: ok 4142
191: ok 4143
191: ok 4144
191: ok 4145
191: ok 4146
191: ok 4147
191: ok 4148
191: ok 4149
191: ok 4150
191: ok 4151
191: ok 4152
191: ok 4153
191: ok 4154
191: ok 4155
191: ok 4156
191: ok 4157
191: ok 4158
191: ok 4159
191: ok 4160
191: ok 4161
191: ok 4162
191: ok 4163
191: ok 4164
191: ok 4165
191: ok 4166
191: ok 4167
191: ok 4168
191: ok 4169
191: ok 4170
191: ok 4171
191: ok 4172
191: ok 4173
191: ok 4174
191: ok 4175
191: ok 4176
191: ok 4177
191: ok 4178
191: ok 4179
191: ok 4180
191: ok 4181
191: ok 4182
191: ok 4183
191: ok 4184
191: ok 4185
191: ok 4186
191: ok 4187
191: ok 4188
191: ok 4189
191: ok 4190
191: ok 4191
191: ok 4192
191: ok 4193
191: ok 4194
191: ok 4195
191: ok 4196
191: ok 4197
191: ok 4198
191: ok 4199
191: ok 4200
191: ok 4201
191: ok 4202
191: ok 4203
191: ok 4204
191: ok 4205
191: ok 4206
191: ok 4207
191: ok 4208
191: ok 4209
191: ok 4210
191: ok 4211
191: ok 4212
191: ok 4213
191: ok 4214
191: ok 4215
191: ok 4216
191: ok 4217
191: ok 4218
191: ok 4219
191: ok 4220
191: ok 4221
191: ok 4222
191: ok 4223
191: ok 4224
191: ok 4225
191: ok 4226
191: ok 4227
191: ok 4228
191: ok 4229
191: ok 4230
191: ok 4231
191: ok 4232
191: ok 4233
191: ok 4234
191: ok 4235
191: ok 4236
191: ok 4237
191: ok 4238
191: ok 4239
191: ok 4240
191: ok 4241
191: ok 4242
191: ok 4243
191: ok 4244
191: ok 4245
191: ok 4246
191: ok 4247
191: ok 4248
191: ok 4249
191: ok 4250
191: ok 4251
191: ok 4252
191: ok 4253
191: ok 4254
191: ok 4255
191: ok 4256
191: ok 4257
191: ok 4258
191: ok 4259
191: ok 4260
191: ok 4261
191: ok 4262
191: ok 4263
191: ok 4264
191: ok 4265
191: ok 4266
191: ok 4267
191: ok 4268
191: ok 4269
191: ok 4270
191: ok 4271
191: ok 4272
191: ok 4273
191: ok 4274
191: ok 4275
191: ok 4276
191: ok 4277
191: ok 4278
191: ok 4279
191: ok 4280
191: ok 4281
191: ok 4282
191: ok 4283
191: ok 4284
191: ok 4285
191: ok 4286
191: ok 4287
191: ok 4288
191: ok 4289
191: ok 4290
191: ok 4291
191: ok 4292
191: ok 4293
191: ok 4294
191: ok 4295
191: ok 4296
191: ok 4297
191: ok 4298
191: ok 4299
191: ok 4300
191: ok 4301
191: ok 4302
191: ok 4303
191: ok 4304
191: ok 4305
191: ok 4306
191: ok 4307
191: ok 4308
191: ok 4309
191: ok 4310
191: ok 4311
191: ok 4312
191: ok 4313
191: ok 4314
191: ok 4315
191: ok 4316
191: ok 4317
191: ok 4318
191: ok 4319
191: ok 4320
191: ok 4321
191: ok 4322
191: ok 4323
191: ok 4324
191: ok 4325
191: ok 4326
191: ok 4327
191: ok 4328
191: ok 4329
191: ok 4330
191: ok 4331
191: ok 4332
191: ok 4333
191: ok 4334
191: ok 4335
191: ok 4336
191: ok 4337
191: ok 4338
191: ok 4339
191: ok 4340
191: ok 4341
191: ok 4342
191: ok 4343
191: ok 4344
191: ok 4345
191: ok 4346
191: ok 4347
191: ok 4348
191: ok 4349
191: ok 4350
191: ok 4351
191: ok 4352
191: ok 4353
191: ok 4354
191: ok 4355
191: ok 4356
191: ok 4357
191: ok 4358
191: ok 4359
191: ok 4360
191: ok 4361
191: ok 4362
191: ok 4363
191: ok 4364
191: ok 4365
191: ok 4366
191: ok 4367
191: ok 4368
191: ok 4369
191: ok 4370
191: ok 4371
191: ok 4372
191: ok 4373
191: ok 4374
191: ok 4375
191: ok 4376
191: ok 4377
191: ok 4378
191: ok 4379
191: ok 4380
191: ok 4381
191: ok 4382
191: ok 4383
191: ok 4384
191: ok 4385
191: ok 4386
191: ok 4387
191: ok 4388
191: ok 4389
191: ok 4390
191: ok 4391
191: ok 4392
191: ok 4393
191: ok 4394
191: ok 4395
191: ok 4396
191: ok 4397
191: ok 4398
191: ok 4399
191: ok 4400
191: ok 4401
191: ok 4402
191: ok 4403
191: ok 4404
191: ok 4405
191: ok 4406
191: ok 4407
191: ok 4408
191: ok 4409
191: ok 4410
191: ok 4411
191: ok 4412
191: ok 4413
191: ok 4414
191: ok 4415
191: ok 4416
191: ok 4417
191: ok 4418
191: ok 4419
191: ok 4420
191: ok 4421
191: ok 4422
191: ok 4423
191: ok 4424
191: ok 4425
191: ok 4426
191: ok 4427
191: ok 4428
191: ok 4429
191: ok 4430
191: ok 4431
191: ok 4432
191: ok 4433
191: ok 4434
191: ok 4435
191: ok 4436
191: ok 4437
191: ok 4438
191: ok 4439
191: ok 4440
191: ok 4441
191: ok 4442
191: ok 4443
191: ok 4444
191: ok 4445
191: ok 4446
191: ok 4447
191: ok 4448
191: ok 4449
191: ok 4450
191: ok 4451
191: ok 4452
191: ok 4453
191: ok 4454
191: ok 4455
191: ok 4456
191: ok 4457
191: ok 4458
191: ok 4459
191: ok 4460
191: ok 4461
191: ok 4462
191: ok 4463
191: ok 4464
191: ok 4465
191: ok 4466
191: ok 4467
191: ok 4468
191: ok 4469
191: ok 4470
191: ok 4471
191: ok 4472
191: ok 4473
191: ok 4474
191: ok 4475
191: ok 4476
191: ok 4477
191: ok 4478
191: ok 4479
191: ok 4480
191: ok 4481
191: ok 4482
191: ok 4483
191: ok 4484
191: ok 4485
191: ok 4486
191: ok 4487
191: ok 4488
191: ok 4489
191: ok 4490
191: ok 4491
191: ok 4492
191: ok 4493
191: ok 4494
191: ok 4495
191: ok 4496
191: ok 4497
191: ok 4498
191: ok 4499
191: ok 4500
191: ok 4501
191: ok 4502
191: ok 4503
191: ok 4504
191: ok 4505
191: ok 4506
191: ok 4507
191: ok 4508
191: ok 4509
191: ok 4510
191: ok 4511
191: ok 4512
191: ok 4513
191: ok 4514
191: ok 4515
191: ok 4516
191: ok 4517
191: ok 4518
191: ok 4519
191: ok 4520
191: ok 4521
191: ok 4522
191: ok 4523
191: ok 4524
191: ok 4525
191: ok 4526
191: ok 4527
191: ok 4528
191: ok 4529
191: ok 4530
191: ok 4531
191: ok 4532
191: ok 4533
191: ok 4534
191: ok 4535
191: ok 4536
191: ok 4537
191: ok 4538
191: ok 4539
191: ok 4540
191: ok 4541
191: ok 4542
191: ok 4543
191: ok 4544
191: ok 4545
191: ok 4546
191: ok 4547
191: ok 4548
191: ok 4549
191: ok 4550
191: ok 4551
191: ok 4552
191: ok 4553
191: ok 4554
191: ok 4555
191: ok 4556
191: ok 4557
191: ok 4558
191: ok 4559
191: ok 4560
191: ok 4561
191: ok 4562
191: ok 4563
191: ok 4564
191: ok 4565
191: ok 4566
191: ok 4567
191: ok 4568
191: ok 4569
191: ok 4570
191: ok 4571
191: ok 4572
191: ok 4573
191: ok 4574
191: ok 4575
191: ok 4576
191: ok 4577
191: ok 4578
191: ok 4579
191: ok 4580
191: ok 4581
191: ok 4582
191: ok 4583
191: ok 4584
191: ok 4585
191: ok 4586
191: ok 4587
191: ok 4588
191: ok 4589
191: ok 4590
191: ok 4591
191: ok 4592
191: ok 4593
191: ok 4594
191: ok 4595
191: ok 4596
191: ok 4597
191: ok 4598
191: ok 4599
191: ok 4600
191: ok 4601
191: ok 4602
191: ok 4603
191: ok 4604
191: ok 4605
191: ok 4606
191: ok 4607
191: ok 4608
191: ok 4609
191: ok 4610
191: ok 4611
191: ok 4612
191: ok 4613
191: ok 4614
191: ok 4615
191: ok 4616
191: ok 4617
191: ok 4618
191: ok 4619
191: ok 4620
191: ok 4621
191: ok 4622
191: ok 4623
191: ok 4624
191: ok 4625
191: ok 4626
191: ok 4627
191: ok 4628
191: ok 4629
191: ok 4630
191: ok 4631
191: ok 4632
191: ok 4633
191: ok 4634
191: ok 4635
191: ok 4636
191: ok 4637
191: ok 4638
191: ok 4639
191: ok 4640
191: ok 4641
191: ok 4642
191: ok 4643
191: ok 4644
191: ok 4645
191: ok 4646
191: ok 4647
191: ok 4648
191: ok 4649
191: ok 4650
191: ok 4651
191: ok 4652
191: ok 4653
191: ok 4654
191: ok 4655
191: ok 4656
191: ok 4657
191: ok 4658
191: ok 4659
191: ok 4660
191: ok 4661
191: ok 4662
191: ok 4663
191: ok 4664
191: ok 4665
191: ok 4666
191: ok 4667
191: ok 4668
191: ok 4669
191: ok 4670
191: ok 4671
191: ok 4672
191: ok 4673
191: ok 4674
191: ok 4675
191: ok 4676
191: ok 4677
191: ok 4678
191: ok 4679
191: ok 4680
191: ok 4681
191: ok 4682
191: ok 4683
191: ok 4684
191: ok 4685
191: ok 4686
191: ok 4687
191: ok 4688
191: ok 4689
191: ok 4690
191: ok 4691
191: ok 4692
191: ok 4693
191: ok 4694
191: ok 4695
191: ok 4696
191: ok 4697
191: ok 4698
191: ok 4699
191: ok 4700
191: ok 4701
191: ok 4702
191: ok 4703
191: ok 4704
191: ok 4705
191: ok 4706
191: ok 4707
191: ok 4708
191: ok 4709
191: ok 4710
191: ok 4711
191: ok 4712
191: ok 4713
191: ok 4714
191: ok 4715
191: ok 4716
191: ok 4717
191: ok 4718
191: ok 4719
191: ok 4720
191: ok 4721
191: ok 4722
191: ok 4723
191: ok 4724
191: ok 4725
191: ok 4726
191: ok 4727
191: ok 4728
191: ok 4729
191: ok 4730
191: ok 4731
191: ok 4732
191: ok 4733
191: ok 4734
191: ok 4735
191: ok 4736
191: ok 4737
191: ok 4738
191: ok 4739
191: ok 4740
191: ok 4741
191: ok 4742
191: ok 4743
191: ok 4744
191: ok 4745
191: ok 4746
191: ok 4747
191: ok 4748
191: ok 4749
191: ok 4750
191: ok 4751
191: ok 4752
191: ok 4753
191: ok 4754
191: ok 4755
191: ok 4756
191: ok 4757
191: ok 4758
191: ok 4759
191: ok 4760
191: ok 4761
191: ok 4762
191: ok 4763
191: ok 4764
191: ok 4765
191: ok 4766
191: ok 4767
191: ok 4768
191: ok 4769
191: ok 4770
191: ok 4771
191: ok 4772
191: ok 4773
191: ok 4774
191: ok 4775
191: ok 4776
191: ok 4777
191: ok 4778
191: ok 4779
191: ok 4780
191: ok 4781
191: ok 4782
191: ok 4783
191: ok 4784
191: ok 4785
191: ok 4786
191: ok 4787
191: ok 4788
191: ok 4789
191: ok 4790
191: ok 4791
191: ok 4792
191: ok 4793
191: ok 4794
191: ok 4795
191: ok 4796
191: ok 4797
191: ok 4798
191: ok 4799
191: ok 4800
191: ok 4801
191: ok 4802
191: ok 4803
191: ok 4804
191: ok 4805
191: ok 4806
191: ok 4807
191: ok 4808
191: ok 4809
191: ok 4810
191: ok 4811
191: ok 4812
191: ok 4813
191: ok 4814
191: ok 4815
191: ok 4816
191: ok 4817
191: ok 4818
191: ok 4819
191: ok 4820
191: ok 4821
191: ok 4822
191: ok 4823
191: ok 4824
191: ok 4825
191: ok 4826
191: ok 4827
191: ok 4828
191: ok 4829
191: ok 4830
191: ok 4831
191: ok 4832
191: ok 4833
191: ok 4834
191: ok 4835
191: ok 4836
191: ok 4837
191: ok 4838
191: ok 4839
191: ok 4840
191: ok 4841
191: ok 4842
191: ok 4843
191: ok 4844
191: ok 4845
191: ok 4846
191: ok 4847
191: ok 4848
191: ok 4849
191: ok 4850
191: ok 4851
191: ok 4852
191: ok 4853
191: ok 4854
191: ok 4855
191: ok 4856
191: ok 4857
191: ok 4858
191: ok 4859
191: ok 4860
191: ok 4861
191: ok 4862
191: ok 4863
191: ok 4864
191: ok 4865
191: ok 4866
191: ok 4867
191: ok 4868
191: ok 4869
191: ok 4870
191: ok 4871
191: ok 4872
191: ok 4873
191: ok 4874
191: ok 4875
191: ok 4876
191: ok 4877
191: ok 4878
191: ok 4879
191: ok 4880
191: ok 4881
191: ok 4882
191: ok 4883
191: ok 4884
191: ok 4885
191: ok 4886
191: ok 4887
191: ok 4888
191: ok 4889
191: ok 4890
191: ok 4891
191: ok 4892
191: ok 4893
191: ok 4894
191: ok 4895
191: ok 4896
191: ok 4897
191: ok 4898
191: ok 4899
191: ok 4900
191: ok 4901
191: ok 4902
191: ok 4903
191: ok 4904
191: ok 4905
191: ok 4906
191: ok 4907
191: ok 4908
191: ok 4909
191: ok 4910
191: ok 4911
191: ok 4912
191: ok 4913
191: ok 4914
191: ok 4915
191: ok 4916
191: ok 4917
191: ok 4918
191: ok 4919
191: ok 4920
191: ok 4921
191: ok 4922
191: ok 4923
191: ok 4924
191: ok 4925
191: ok 4926
191: ok 4927
191: ok 4928
191: ok 4929
191: ok 4930
191: ok 4931
191: ok 4932
191: ok 4933
191: ok 4934
191: ok 4935
191: ok 4936
191: ok 4937
191: ok 4938
191: ok 4939
191: ok 4940
191: ok 4941
191: ok 4942
191: ok 4943
191: ok 4944
191: ok 4945
191: ok 4946
191: ok 4947
191: ok 4948
191: ok 4949
191: ok 4950
191: ok 4951
191: ok 4952
191: ok 4953
191: ok 4954
191: ok 4955
191: ok 4956
191: ok 4957
191: ok 4958
191: ok 4959
191: ok 4960
191: ok 4961
191: ok 4962
191: ok 4963
191: ok 4964
191: ok 4965
191: ok 4966
191: ok 4967
191: ok 4968
191: ok 4969
191: ok 4970
191: ok 4971
191: ok 4972
191: ok 4973
191: ok 4974
191: ok 4975
191: ok 4976
191: ok 4977
191: ok 4978
191: ok 4979
191: ok 4980
191: ok 4981
191: ok 4982
191: ok 4983
191: ok 4984
191: ok 4985
191: ok 4986
191: ok 4987
191: ok 4988
191: ok 4989
191: ok 4990
191: ok 4991
191: ok 4992
191: ok 4993
191: ok 4994
191: ok 4995
191: ok 4996
191: ok 4997
191: ok 4998
191: ok 4999
191: ok 5000
191: ok 5001
191: ok 5002
191: ok 5003
191: ok 5004
191: ok 5005
191: ok 5006
191: ok 5007
191: ok 5008
191: ok 5009
191: ok 5010
191: ok 5011
191: ok 5012
191: ok 5013
191: ok 5014
191: ok 5015
191: ok 5016
191: ok 5017
191: ok 5018
191: ok 5019
191: ok 5020
191: ok 5021
191: ok 5022
191: ok 5023
191: ok 5024
191: ok 5025
191: ok 5026
191: ok 5027
191: ok 5028
191: ok 5029
191: ok 5030
191: ok 5031
191: ok 5032
191: ok 5033
191: ok 5034
191: ok 5035
191: ok 5036
191: ok 5037
191: ok 5038
191: ok 5039
191: ok 5040
191: ok 5041
191: ok 5042
191: ok 5043
191: ok 5044
191: ok 5045
191: ok 5046
191: ok 5047
191: ok 5048
191: ok 5049
191: ok 5050
191: ok 5051
191: ok 5052
191: ok 5053
191: ok 5054
191: ok 5055
191: ok 5056
191: ok 5057
191: ok 5058
191: ok 5059
191: ok 5060
191: ok 5061
191: ok 5062
191: ok 5063
191: ok 5064
191: ok 5065
191: ok 5066
191: ok 5067
191: ok 5068
191: ok 5069
191: ok 5070
191: ok 5071
191: ok 5072
191: ok 5073
191: ok 5074
191: ok 5075
191: ok 5076
191: ok 5077
191: ok 5078
191: ok 5079
191: ok 5080
191: ok 5081
191: ok 5082
191: ok 5083
191: ok 5084
191: ok 5085
191: ok 5086
191: ok 5087
191: ok 5088
191: ok 5089
191: ok 5090
191: ok 5091
191: ok 5092
191: ok 5093
191: ok 5094
191: ok 5095
191: ok 5096
191: ok 5097
191: ok 5098
191: ok 5099
191: ok 5100
191: ok 5101
191: ok 5102
191: ok 5103
191: ok 5104
191: ok 5105
191: ok 5106
191: ok 5107
191: ok 5108
191: ok 5109
191: ok 5110
191: ok 5111
191: ok 5112
191: ok 5113
191: ok 5114
191: ok 5115
191: ok 5116
191: ok 5117
191: ok 5118
191: ok 5119
191: ok 5120
191: ok 5121
191: ok 5122
191: ok 5123
191: ok 5124
191: ok 5125
191: ok 5126
191: ok 5127
191: ok 5128
191: ok 5129
191: ok 5130
191: ok 5131
191: ok 5132
191: ok 5133
191: ok 5134
191: ok 5135
191: ok 5136
191: ok 5137
191: ok 5138
191: ok 5139
191: ok 5140
191: ok 5141
191: ok 5142
191: ok 5143
191: ok 5144
191: ok 5145
191: ok 5146
191: ok 5147
191: ok 5148
191: ok 5149
191: ok 5150
191: ok 5151
191: ok 5152
191: ok 5153
191: ok 5154
191: ok 5155
191: ok 5156
191: ok 5157
191: ok 5158
191: ok 5159
191: ok 5160
191: ok 5161
191: ok 5162
191: ok 5163
191: ok 5164
191: ok 5165
191: ok 5166
191: ok 5167
191: ok 5168
191: ok 5169
191: ok 5170
191: ok 5171
191: ok 5172
191: ok 5173
191: ok 5174
191: ok 5175
191: ok 5176
191: ok 5177
191: ok 5178
191: ok 5179
191: ok 5180
191: ok 5181
191: ok 5182
191: ok 5183
191: ok 5184
191: ok 5185
191: ok 5186
191: ok 5187
191: ok 5188
191: ok 5189
191: ok 5190
191: ok 5191
191: ok 5192
191: ok 5193
191: ok 5194
191: ok 5195
191: ok 5196
191: ok 5197
191: ok 5198
191: ok 5199
191: ok 5200
191: ok 5201
191: ok 5202
191: ok 5203
191: ok 5204
191: ok 5205
191: ok 5206
191: ok 5207
191: ok 5208
191: ok 5209
191: ok 5210
191: ok 5211
191: ok 5212
191: ok 5213
191: ok 5214
191: ok 5215
191: ok 5216
191: ok 5217
191: ok 5218
191: ok 5219
191: ok 5220
191: ok 5221
191: ok 5222
191: ok 5223
191: ok 5224
191: ok 5225
191: ok 5226
191: ok 5227
191: ok 5228
191: ok 5229
191: ok 5230
191: ok 5231
191: ok 5232
191: ok 5233
191: ok 5234
191: ok 5235
191: ok 5236
191: ok 5237
191: ok 5238
191: ok 5239
191: ok 5240
191: ok 5241
191: ok 5242
191: ok 5243
191: ok 5244
191: ok 5245
191: ok 5246
191: ok 5247
191: ok 5248
191: ok 5249
191: ok 5250
191: ok 5251
191: ok 5252
191: ok 5253
191: ok 5254
191: ok 5255
191: ok 5256
191: ok 5257
191: ok 5258
191: ok 5259
191: ok 5260
191: ok 5261
191: ok 5262
191: ok 5263
191: ok 5264
191: ok 5265
191: ok 5266
191: ok 5267
191: ok 5268
191: ok 5269
191: ok 5270
191: ok 5271
191: ok 5272
191: ok 5273
191: ok 5274
191: ok 5275
191: ok 5276
191: ok 5277
191: ok 5278
191: ok 5279
191: ok 5280
191: ok 5281
191: ok 5282
191: ok 5283
191: ok 5284
191: ok 5285
191: ok 5286
191: ok 5287
191: ok 5288
191: ok 5289
191: ok 5290
191: ok 5291
191: ok 5292
191: ok 5293
191: ok 5294
191: ok 5295
191: ok 5296
191: ok 5297
191: ok 5298
191: ok 5299
191: ok 5300
191: ok 5301
191: ok 5302
191: ok 5303
191: ok 5304
191: ok 5305
191: ok 5306
191: ok 5307
191: ok 5308
191: ok 5309
191: ok 5310
191: ok 5311
191: ok 5312
191: ok 5313
191: ok 5314
191: ok 5315
191: ok 5316
191: ok 5317
191: ok 5318
191: ok 5319
191: ok 5320
191: ok 5321
191: ok 5322
191: ok 5323
191: ok 5324
191: ok 5325
191: ok 5326
191: ok 5327
191: ok 5328
191: ok 5329
191: ok 5330
191: ok 5331
191: ok 5332
191: ok 5333
191: ok 5334
191: ok 5335
191: ok 5336
191: ok 5337
191: ok 5338
191: ok 5339
191: ok 5340
191: ok 5341
191: ok 5342
191: ok 5343
191: ok 5344
191: ok 5345
191: ok 5346
191: ok 5347
191: ok 5348
191: ok 5349
191: ok 5350
191: ok 5351
191: ok 5352
191: ok 5353
191: ok 5354
191: ok 5355
191: ok 5356
191: ok 5357
191: ok 5358
191: ok 5359
191: ok 5360
191: ok 5361
191: ok 5362
191: ok 5363
191: ok 5364
191: ok 5365
191: ok 5366
191: ok 5367
191: ok 5368
191: ok 5369
191: ok 5370
191: ok 5371
191: ok 5372
191: ok 5373
191: ok 5374
191: ok 5375
191: ok 5376
191: ok 5377
191: ok 5378
191: ok 5379
191: ok 5380
191: ok 5381
191: ok 5382
191: ok 5383
191: ok 5384
191: ok 5385
191: ok 5386
191: ok 5387
191: ok 5388
191: ok 5389
191: ok 5390
191: ok 5391
191: ok 5392
191: ok 5393
191: ok 5394
191: ok 5395
191: ok 5396
191: ok 5397
191: ok 5398
191: ok 5399
191: ok 5400
191: ok 5401
191: ok 5402
191: ok 5403
191: ok 5404
191: ok 5405
191: ok 5406
191: ok 5407
191: ok 5408
191: ok 5409
191: ok 5410
191: ok 5411
191: ok 5412
191: ok 5413
191: ok 5414
191: ok 5415
191: ok 5416
191: ok 5417
191: ok 5418
191: ok 5419
191: ok 5420
191: ok 5421
191: ok 5422
191: ok 5423
191: ok 5424
191: ok 5425
191: ok 5426
191: ok 5427
191: ok 5428
191: ok 5429
191: ok 5430
191: ok 5431
191: ok 5432
191: ok 5433
191: ok 5434
191: ok 5435
191: ok 5436
191: ok 5437
191: ok 5438
191: ok 5439
191: ok 5440
191: ok 5441
191: ok 5442
191: ok 5443
191: ok 5444
191: ok 5445
191: ok 5446
191: ok 5447
191: ok 5448
191: ok 5449
191: ok 5450
191: ok 5451
191: ok 5452
191: ok 5453
191: ok 5454
191: ok 5455
191: ok 5456
191: ok 5457
191: ok 5458
191: ok 5459
191: ok 5460
191: ok 5461
191: ok 5462
191: ok 5463
191: ok 5464
191: ok 5465
191: ok 5466
191: ok 5467
191: ok 5468
191: ok 5469
191: ok 5470
191: ok 5471
191: ok 5472
191: ok 5473
191: ok 5474
191: ok 5475
191: ok 5476
191: ok 5477
191: ok 5478
191: ok 5479
191: ok 5480
191: ok 5481
191: ok 5482
191: ok 5483
191: ok 5484
191: ok 5485
191: ok 5486
191: ok 5487
191: ok 5488
191: ok 5489
191: ok 5490
191: ok 5491
191: ok 5492
191: ok 5493
191: ok 5494
191: ok 5495
191: ok 5496
191: ok 5497
191: ok 5498
191: ok 5499
191: ok 5500
191: ok 5501
191: ok 5502
191: ok 5503
191: ok 5504
191: ok 5505
191: ok 5506
191: ok 5507
191: ok 5508
191: ok 5509
191: ok 5510
191: ok 5511
191: ok 5512
191: ok 5513
191: ok 5514
191: ok 5515
191: ok 5516
191: ok 5517
191: ok 5518
191: ok 5519
191: ok 5520
191: ok 5521
191: ok 5522
191: ok 5523
191: ok 5524
191: ok 5525
191: ok 5526
191: ok 5527
191: ok 5528
191: ok 5529
191: ok 5530
191: ok 5531
191: ok 5532
191: ok 5533
191: ok 5534
191: ok 5535
191: ok 5536
191: ok 5537
191: ok 5538
191: ok 5539
191: ok 5540
191: ok 5541
191: ok 5542
191: ok 5543
191: ok 5544
191: ok 5545
191: ok 5546
191: ok 5547
191: ok 5548
191: ok 5549
191: ok 5550
191: ok 5551
191: ok 5552
191: ok 5553
191: ok 5554
191: ok 5555
191: ok 5556
191: ok 5557
191: ok 5558
191: ok 5559
191: ok 5560
191: ok 5561
191: ok 5562
191: ok 5563
191: ok 5564
191: ok 5565
191: ok 5566
191: ok 5567
191: ok 5568
191: ok 5569
191: ok 5570
191: ok 5571
191: ok 5572
191: ok 5573
191: ok 5574
191: ok 5575
191: ok 5576
191: ok 5577
191: ok 5578
191: ok 5579
191: ok 5580
191: ok 5581
191: ok 5582
191: ok 5583
191: ok 5584
191: ok 5585
191: ok 5586
191: ok 5587
191: ok 5588
191: ok 5589
191: ok 5590
191: ok 5591
191: ok 5592
191: ok 5593
191: ok 5594
191: ok 5595
191: ok 5596
191: ok 5597
191: ok 5598
191: ok 5599
191: ok 5600
191: ok 5601
191: ok 5602
191: ok 5603
191: ok 5604
191: ok 5605
191: ok 5606
191: ok 5607
191: ok 5608
191: ok 5609
191: ok 5610
191: ok 5611
191: ok 5612
191: ok 5613
191: ok 5614
191: ok 5615
191: ok 5616
191: ok 5617
191: ok 5618
191: ok 5619
191: ok 5620
191: ok 5621
191: ok 5622
191: ok 5623
191: ok 5624
191: ok 5625
191: ok 5626
191: ok 5627
191: ok 5628
191: ok 5629
191: ok 5630
191: ok 5631
191: ok 5632
191: ok 5633
191: ok 5634
191: ok 5635
191: ok 5636
191: ok 5637
191: ok 5638
191: ok 5639
191: ok 5640
191: ok 5641
191: ok 5642
191: ok 5643
191: ok 5644
191: ok 5645
191: ok 5646
191: ok 5647
191: ok 5648
191: ok 5649
191: ok 5650
191: ok 5651
191: ok 5652
191: ok 5653
191: ok 5654
191: ok 5655
191: ok 5656
191: ok 5657
191: ok 5658
191: ok 5659
191: ok 5660
191: ok 5661
191: ok 5662
191: ok 5663
191: ok 5664
191: ok 5665
191: ok 5666
191: ok 5667
191: ok 5668
191: ok 5669
191: ok 5670
191: ok 5671
191: ok 5672
191: ok 5673
191: ok 5674
191: ok 5675
191: ok 5676
191: ok 5677
191: ok 5678
191: ok 5679
191: ok 5680
191: ok 5681
191: ok 5682
191: ok 5683
191: ok 5684
191: ok 5685
191: ok 5686
191: ok 5687
191: ok 5688
191: ok 5689
191: ok 5690
191: ok 5691
191: ok 5692
191: ok 5693
191: ok 5694
191: ok 5695
191: ok 5696
191: ok 5697
191: ok 5698
191: ok 5699
191: ok 5700
191: ok 5701
191: ok 5702
191: ok 5703
191: ok 5704
191: ok 5705
191: ok 5706
191: ok 5707
191: ok 5708
191: ok 5709
191: ok 5710
191: ok 5711
191: ok 5712
191: ok 5713
191: ok 5714
191: ok 5715
191: ok 5716
191: ok 5717
191: ok 5718
191: ok 5719
191: ok 5720
191: ok 5721
191: ok 5722
191: ok 5723
191: ok 5724
191: ok 5725
191: ok 5726
191: ok 5727
191: ok 5728
191: ok 5729
191: ok 5730
191: ok 5731
191: ok 5732
191: ok 5733
191: ok 5734
191: ok 5735
191: ok 5736
191: ok 5737
191: ok 5738
191: ok 5739
191: ok 5740
191: ok 5741
191: ok 5742
191: ok 5743
191: ok 5744
191: ok 5745
191: ok 5746
191: ok 5747
191: ok 5748
191: ok 5749
191: ok 5750
191: ok 5751
191: ok 5752
191: ok 5753
191: ok 5754
191: ok 5755
191: ok 5756
191: ok 5757
191: ok 5758
191: ok 5759
191: ok 5760
191: ok 5761
191: ok 5762
191: ok 5763
191: ok 5764
191: ok 5765
191: ok 5766
191: ok 5767
191: ok 5768
191: ok 5769
191: ok 5770
191: ok 5771
191: ok 5772
191: ok 5773
191: ok 5774
191: ok 5775
191: ok 5776
191: ok 5777
191: ok 5778
191: ok 5779
191: ok 5780
191: ok 5781
191: ok 5782
191: ok 5783
191: ok 5784
191: ok 5785
191: ok 5786
191: ok 5787
191: ok 5788
191: ok 5789
191: ok 5790
191: ok 5791
191: ok 5792
191: ok 5793
191: ok 5794
191: ok 5795
191: ok 5796
191: ok 5797
191: ok 5798
191: ok 5799
191: ok 5800
191: ok 5801
191: ok 5802
191: ok 5803
191: ok 5804
191: ok 5805
191: ok 5806
191: ok 5807
191: ok 5808
191: ok 5809
191: ok 5810
191: ok 5811
191: ok 5812
191: ok 5813
191: ok 5814
191: ok 5815
191: ok 5816
191: ok 5817
191: ok 5818
191: ok 5819
191: ok 5820
191: ok 5821
191: ok 5822
191: ok 5823
191: ok 5824
191: ok 5825
191: ok 5826
191: ok 5827
191: ok 5828
191: ok 5829
191: ok 5830
191: ok 5831
191: ok 5832
191: ok 5833
191: ok 5834
191: ok 5835
191: ok 5836
191: ok 5837
191: ok 5838
191: ok 5839
191: ok 5840
191: ok 5841
191: ok 5842
191: ok 5843
191: ok 5844
191: ok 5845
191: ok 5846
191: ok 5847
191: ok 5848
191: ok 5849
191: ok 5850
191: ok 5851
191: ok 5852
191: ok 5853
191: ok 5854
191: ok 5855
191: ok 5856
191: ok 5857
191: ok 5858
191: ok 5859
191: ok 5860
191: ok 5861
191: ok 5862
191: ok 5863
191: ok 5864
191: ok 5865
191: ok 5866
191: ok 5867
191: ok 5868
191: ok 5869
191: ok 5870
191: ok 5871
191: ok 5872
191: ok 5873
191: ok 5874
191: ok 5875
191: ok 5876
191: ok 5877
191: ok 5878
191: ok 5879
191: ok 5880
191: ok 5881
191: ok 5882
191: ok 5883
191: ok 5884
191: ok 5885
191: ok 5886
191: ok 5887
191: ok 5888
191: ok 5889
191: ok 5890
191: ok 5891
191: ok 5892
191: ok 5893
191: ok 5894
191: ok 5895
191: ok 5896
191: ok 5897
191: ok 5898
191: ok 5899
191: ok 5900
191: ok 5901
191: ok 5902
191: ok 5903
191: ok 5904
191: ok 5905
191: ok 5906
191: ok 5907
191: ok 5908
191: ok 5909
191: ok 5910
191: ok 5911
191: ok 5912
191: ok 5913
191: ok 5914
191: ok 5915
191: ok 5916
191: ok 5917
191: ok 5918
191: ok 5919
191: ok 5920
191: ok 5921
191: ok 5922
191: ok 5923
191: ok 5924
191: ok 5925
191: ok 5926
191: ok 5927
191: ok 5928
191: ok 5929
191: ok 5930
191: ok 5931
191: ok 5932
191: ok 5933
191: ok 5934
191: ok 5935
191: ok 5936
191: ok 5937
191: ok 5938
191: ok 5939
191: ok 5940
191: ok 5941
191: ok 5942
191: ok 5943
191: ok 5944
191: ok 5945
191: ok 5946
191: ok 5947
191: ok 5948
191: ok 5949
191: ok 5950
191: ok 5951
191: ok 5952
191: ok 5953
191: ok 5954
191: ok 5955
191: ok 5956
191: ok 5957
191: ok 5958
191: ok 5959
191: ok 5960
191: ok 5961
191: ok 5962
191: ok 5963
191: ok 5964
191: ok 5965
191: ok 5966
191: ok 5967
191: ok 5968
191: ok 5969
191: ok 5970
191: ok 5971
191: ok 5972
191: ok 5973
191: ok 5974
191: ok 5975
191: ok 5976
191: ok 5977
191: ok 5978
191: ok 5979
191: ok 5980
191: ok 5981
191: ok 5982
191: ok 5983
191: ok 5984
191: ok 5985
191: ok 5986
191: ok 5987
191: ok 5988
191: ok 5989
191: ok 5990
191: ok 5991
191: ok 5992
191: ok 5993
191: ok 5994
191: ok 5995
191: ok 5996
191: ok 5997
191: ok 5998
191: ok 5999
191: ok 6000
191: ok 6001
191: ok 6002
191: ok 6003
191: ok 6004
191: ok 6005
191: ok 6006
191: ok 6007
191: ok 6008
191: ok 6009
191: ok 6010
191: ok 6011
191: ok 6012
191: ok 6013
191: ok 6014
191: ok 6015
191: ok 6016
191: ok 6017
191: ok 6018
191: ok 6019
191: ok 6020
191: ok 6021
191: ok 6022
191: ok 6023
191: ok 6024
191: ok 6025
191: ok 6026
191: ok 6027
191: ok 6028
191: ok 6029
191: ok 6030
191: ok 6031
191: ok 6032
191: ok 6033
191: ok 6034
191: ok 6035
191: ok 6036
191: ok 6037
191: ok 6038
191: ok 6039
191: ok 6040
191: ok 6041
191: ok 6042
191: ok 6043
191: ok 6044
191: ok 6045
191: ok 6046
191: ok 6047
191: ok 6048
191: ok 6049
191: ok 6050
191: ok 6051
191: ok 6052
191: ok 6053
191: ok 6054
191: ok 6055
191: ok 6056
191: ok 6057
191: ok 6058
191: ok 6059
191: ok 6060
191: ok 6061
191: ok 6062
191: ok 6063
191: ok 6064
191: ok 6065
191: ok 6066
191: ok 6067
191: ok 6068
191: ok 6069
191: ok 6070
191: ok 6071
191: ok 6072
191: ok 6073
191: ok 6074
191: ok 6075
191: ok 6076
191: ok 6077
191: ok 6078
191: ok 6079
191: ok 6080
191: ok 6081
191: ok 6082
191: ok 6083
191: ok 6084
191: ok 6085
191: ok 6086
191: ok 6087
191: ok 6088
191: ok 6089
191: ok 6090
191: ok 6091
191: ok 6092
191: ok 6093
191: ok 6094
191: ok 6095
191: ok 6096
191: ok 6097
191: ok 6098
191: ok 6099
191: ok 6100
191: ok 6101
191: ok 6102
191: ok 6103
191: ok 6104
191: ok 6105
191: ok 6106
191: ok 6107
191: ok 6108
191: ok 6109
191: ok 6110
191: ok 6111
191: ok 6112
191: ok 6113
191: ok 6114
191: ok 6115
191: ok 6116
191: ok 6117
191: ok 6118
191: ok 6119
191: ok 6120
191: ok 6121
191: ok 6122
191: ok 6123
191: ok 6124
191: ok 6125
191: ok 6126
191: ok 6127
191: ok 6128
191: ok 6129
191: ok 6130
191: ok 6131
191: ok 6132
191: ok 6133
191: ok 6134
191: ok 6135
191: ok 6136
191: ok 6137
191: ok 6138
191: ok 6139
191: ok 6140
191: ok 6141
191: ok 6142
191: ok 6143
191: ok 6144
191: ok 6145
191: ok 6146
191: ok 6147
191: ok 6148
191: ok 6149
191: ok 6150
191: ok 6151
191: ok 6152
191: ok 6153
191: ok 6154
191: ok 6155
191: ok 6156
191: ok 6157
191: ok 6158
191: ok 6159
191: ok 6160
191: ok 6161
191: ok 6162
191: ok 6163
191: ok 6164
191: ok 6165
191: ok 6166
191: ok 6167
191: ok 6168
191: ok 6169
191: ok 6170
191: ok 6171
191: ok 6172
191: ok 6173
191: ok 6174
191: ok 6175
191: ok 6176
191: ok 6177
191: ok 6178
191: ok 6179
191: ok 6180
191: ok 6181
191: ok 6182
191: ok 6183
191: ok 6184
191: ok 6185
191: ok 6186
191: ok 6187
191: ok 6188
191: ok 6189
191: ok 6190
191: ok 6191
191: ok 6192
191: ok 6193
191: ok 6194
191: ok 6195
191: ok 6196
191: ok 6197
191: ok 6198
191: ok 6199
191: ok 6200
191: ok 6201
191: ok 6202
191: ok 6203
191: ok 6204
191: ok 6205
191: ok 6206
191: ok 6207
191: ok 6208
191: ok 6209
191: ok 6210
191: ok 6211
191: ok 6212
191: ok 6213
191: ok 6214
191: ok 6215
191: ok 6216
191: ok 6217
191: ok 6218
191: ok 6219
191: ok 6220
191: ok 6221
191: ok 6222
191: ok 6223
191: ok 6224
191: ok 6225
191: ok 6226
191: ok 6227
191: ok 6228
191: ok 6229
191: ok 6230
191: ok 6231
191: ok 6232
191: ok 6233
191: ok 6234
191: ok 6235
191: ok 6236
191: ok 6237
191: ok 6238
191: ok 6239
191: ok 6240
191: ok 6241
191: ok 6242
191: ok 6243
191: ok 6244
191: ok 6245
191: ok 6246
191: ok 6247
191: ok 6248
191: ok 6249
191: ok 6250
191: ok 6251
191: ok 6252
191: ok 6253
191: ok 6254
191: ok 6255
191: ok 6256
191: ok 6257
191: ok 6258
191: ok 6259
191: ok 6260
191: ok 6261
191: ok 6262
191: ok 6263
191: ok 6264
191: ok 6265
191: ok 6266
191: ok 6267
191: ok 6268
191: ok 6269
191: ok 6270
191: ok 6271
191: ok 6272
191: ok 6273
191: ok 6274
191: ok 6275
191: ok 6276
191: ok 6277
191: ok 6278
191: ok 6279
191: ok 6280
191: ok 6281
191: ok 6282
191: ok 6283
191: ok 6284
191: ok 6285
191: ok 6286
191: ok 6287
191: ok 6288
191: ok 6289
191: ok 6290
191: ok 6291
191: ok 6292
191: ok 6293
191: ok 6294
191: ok 6295
191: ok 6296
191: ok 6297
191: ok 6298
191: ok 6299
191: ok 6300
191: ok 6301
191: ok 6302
191: ok 6303
191: ok 6304
191: ok 6305
191: ok 6306
191: ok 6307
191: ok 6308
191: ok 6309
191: ok 6310
191: ok 6311
191: ok 6312
191: ok 6313
191: ok 6314
191: ok 6315
191: ok 6316
191: ok 6317
191: ok 6318
191: ok 6319
191: ok 6320
191: ok 6321
191: ok 6322
191: ok 6323
191: ok 6324
191: ok 6325
191: ok 6326
191: ok 6327
191: ok 6328
191: ok 6329
191: ok 6330
191: ok 6331
191: ok 6332
191: ok 6333
191: ok 6334
191: ok 6335
191: ok 6336
191: ok 6337
191: ok 6338
191: ok 6339
191: ok 6340
191: ok 6341
191: ok 6342
191: ok 6343
191: ok 6344
191: ok 6345
191: ok 6346
191: ok 6347
191: ok 6348
191: ok 6349
191: ok 6350
191: ok 6351
191: ok 6352
191: ok 6353
191: ok 6354
191: ok 6355
191: ok 6356
191: ok 6357
191: ok 6358
191: ok 6359
191: ok 6360
191: ok 6361
191: ok 6362
191: ok 6363
191: ok 6364
191: ok 6365
191: ok 6366
191: ok 6367
191: ok 6368
191: ok 6369
191: ok 6370
191: ok 6371
191: ok 6372
191: ok 6373
191: ok 6374
191: ok 6375
191: ok 6376
191: ok 6377
191: ok 6378
191: ok 6379
191: ok 6380
191: ok 6381
191: ok 6382
191: ok 6383
191: ok 6384
191: ok 6385
191: ok 6386
191: ok 6387
191: ok 6388
191: ok 6389
191: ok 6390
191: ok 6391
191: ok 6392
191: ok 6393
191: ok 6394
191: ok 6395
191: ok 6396
191: ok 6397
191: ok 6398
191: ok 6399
191: ok 6400
191: ok 6401
191: ok 6402
191: ok 6403
191: ok 6404
191: ok 6405
191: ok 6406
191: ok 6407
191: ok 6408
191: ok 6409
191: ok 6410
191: ok 6411
191: ok 6412
191: ok 6413
191: ok 6414
191: ok 6415
191: ok 6416
191: ok 6417
191: ok 6418
191: ok 6419
191: ok 6420
191: ok 6421
191: ok 6422
191: ok 6423
191: ok 6424
191: ok 6425
191: ok 6426
191: ok 6427
191: ok 6428
191: ok 6429
191: ok 6430
191: ok 6431
191: ok 6432
191: ok 6433
191: ok 6434
191: ok 6435
191: ok 6436
191: ok 6437
191: ok 6438
191: ok 6439
191: ok 6440
191: ok 6441
191: ok 6442
191: ok 6443
191: ok 6444
191: ok 6445
191: ok 6446
191: ok 6447
191: ok 6448
191: ok 6449
191: ok 6450
191: ok 6451
191: ok 6452
191: ok 6453
191: ok 6454
191: ok 6455
191: ok 6456
191: ok 6457
191: ok 6458
191: ok 6459
191: ok 6460
191: ok 6461
191: ok 6462
191: ok 6463
191: ok 6464
191: ok 6465
191: ok 6466
191: ok 6467
191: ok 6468
191: ok 6469
191: ok 6470
191: ok 6471
191: ok 6472
191: ok 6473
191: ok 6474
191: ok 6475
191: ok 6476
191: ok 6477
191: ok 6478
191: ok 6479
191: ok 6480
191: ok 6481
191: ok 6482
191: ok 6483
191: ok 6484
191: ok 6485
191: ok 6486
191: ok 6487
191: ok 6488
191: ok 6489
191: ok 6490
191: ok 6491
191: ok 6492
191: ok 6493
191: ok 6494
191: ok 6495
191: ok 6496
191: ok 6497
191: ok 6498
191: ok 6499
191: ok 6500
191: ok 6501
191: ok 6502
191: ok 6503
191: ok 6504
191: ok 6505
191: ok 6506
191: ok 6507
191: ok 6508
191: ok 6509
191: ok 6510
191: ok 6511
191: ok 6512
191: ok 6513
191: ok 6514
191: ok 6515
191: ok 6516
191: ok 6517
191: ok 6518
191: ok 6519
191: ok 6520
191: ok 6521
191: ok 6522
191: ok 6523
191: ok 6524
191: ok 6525
191: ok 6526
191: ok 6527
191: ok 6528
191: ok 6529
191: ok 6530
191: ok 6531
191: ok 6532
191: ok 6533
191: ok 6534
191: ok 6535
191: ok 6536
191: ok 6537
191: ok 6538
191: ok 6539
191: ok 6540
191: ok 6541
191: ok 6542
191: ok 6543
191: ok 6544
191: ok 6545
191: ok 6546
191: ok 6547
191: ok 6548
191: ok 6549
191: ok 6550
191: ok 6551
191: ok 6552
191: ok 6553
191: ok 6554
191: ok 6555
191: ok 6556
191: ok 6557
191: ok 6558
191: ok 6559
191: ok 6560
191: ok 6561
191: ok 6562
191: ok 6563
191: ok 6564
191: ok 6565
191: ok 6566
191: ok 6567
191: ok 6568
191: ok 6569
191: ok 6570
191: ok 6571
191: ok 6572
191: ok 6573
191: ok 6574
191: ok 6575
191: ok 6576
191: ok 6577
191: ok 6578
191: ok 6579
191: ok 6580
191: ok 6581
191: ok 6582
191: ok 6583
191: ok 6584
191: ok 6585
191: ok 6586
191: ok 6587
191: ok 6588
191: ok 6589
191: ok 6590
191: ok 6591
191: ok 6592
191: ok 6593
191: ok 6594
191: ok 6595
191: ok 6596
191: ok 6597
191: ok 6598
191: ok 6599
191: ok 6600
191: ok 6601
191: ok 6602
191: ok 6603
191: ok 6604
191: ok 6605
191: ok 6606
191: ok 6607
191: ok 6608
191: ok 6609
191: ok 6610
191: ok 6611
191: ok 6612
191: ok 6613
191: ok 6614
191: ok 6615
191: ok 6616
191: ok 6617
191: ok 6618
191: ok 6619
191: ok 6620
191: ok 6621
191: ok 6622
191: ok 6623
191: ok 6624
191: ok 6625
191: ok 6626
191: ok 6627
191: ok 6628
191: ok 6629
191: ok 6630
191: ok 6631
191: ok 6632
191: ok 6633
191: ok 6634
191: ok 6635
191: ok 6636
191: ok 6637
191: ok 6638
191: ok 6639
191: ok 6640
191: ok 6641
191: ok 6642
191: ok 6643
191: ok 6644
191: ok 6645
191: ok 6646
191: ok 6647
191: ok 6648
191: ok 6649
191: ok 6650
191: ok 6651
191: ok 6652
191: ok 6653
191: ok 6654
191: ok 6655
191: ok 6656
191: ok 6657
191: ok 6658
191: ok 6659
191: ok 6660
191: ok 6661
191: ok 6662
191: ok 6663
191: ok 6664
191: ok 6665
191: ok 6666
191: ok 6667
191: ok 6668
191: ok 6669
191: ok 6670
191: ok 6671
191: ok 6672
191: ok 6673
191: ok 6674
191: ok 6675
191: ok 6676
191: ok 6677
191: ok 6678
191: ok 6679
191: ok 6680
191: ok 6681
191: ok 6682
191: ok 6683
191: ok 6684
191: ok 6685
191: ok 6686
191: ok 6687
191: ok 6688
191: ok 6689
191: ok 6690
191: ok 6691
191: ok 6692
191: ok 6693
191: ok 6694
191: ok 6695
191: ok 6696
191: ok 6697
191: ok 6698
191: ok 6699
191: ok 6700
191: ok 6701
191: ok 6702
191: ok 6703
191: ok 6704
191: ok 6705
191: ok 6706
191: ok 6707
191: ok 6708
191: ok 6709
191: ok 6710
191: ok 6711
191: ok 6712
191: ok 6713
191: ok 6714
191: ok 6715
191: ok 6716
191: ok 6717
191: ok 6718
191: ok 6719
191: ok 6720
191: ok 6721
191: ok 6722
191: ok 6723
191: ok 6724
191: ok 6725
191: ok 6726
191: ok 6727
191: ok 6728
191: ok 6729
191: ok 6730
191: ok 6731
191: ok 6732
191: ok 6733
191: ok 6734
191: ok 6735
191: ok 6736
191: ok 6737
191: ok 6738
191: ok 6739
191: ok 6740
191: ok 6741
191: ok 6742
191: ok 6743
191: ok 6744
191: ok 6745
191: ok 6746
191: ok 6747
191: ok 6748
191: ok 6749
191: ok 6750
191: ok 6751
191: ok 6752
191: ok 6753
191: ok 6754
191: ok 6755
191: ok 6756
191: ok 6757
191: ok 6758
191: ok 6759
191: ok 6760
191: ok 6761
191: ok 6762
191: ok 6763
191: ok 6764
191: ok 6765
191: ok 6766
191: ok 6767
191: ok 6768
191: ok 6769
191: ok 6770
191: ok 6771
191: ok 6772
191: ok 6773
191: ok 6774
191: ok 6775
191: ok 6776
191: ok 6777
191: ok 6778
191: ok 6779
191: ok 6780
191: ok 6781
191: ok 6782
191: ok 6783
191: ok 6784
191: ok 6785
191: ok 6786
191: ok 6787
191: ok 6788
191: ok 6789
191: ok 6790
191: ok 6791
191: ok 6792
191: ok 6793
191: ok 6794
191: ok 6795
191: ok 6796
191: ok 6797
191: ok 6798
191: ok 6799
191: ok 6800
191: ok 6801
191: ok 6802
191: ok 6803
191: ok 6804
191: ok 6805
191: ok 6806
191: ok 6807
191: ok 6808
191: ok 6809
191: ok 6810
191: ok 6811
191: ok 6812
191: ok 6813
191: ok 6814
191: ok 6815
191: ok 6816
191: ok 6817
191: ok 6818
191: ok 6819
191: ok 6820
191: ok 6821
191: ok 6822
191: ok 6823
191: ok 6824
191: ok 6825
191: ok 6826
191: ok 6827
191: ok 6828
191: ok 6829
191: ok 6830
191: ok 6831
191: ok 6832
191: ok 6833
191: ok 6834
191: ok 6835
191: ok 6836
191: ok 6837
191: ok 6838
191: ok 6839
191: ok 6840
191: ok 6841
191: ok 6842
191: ok 6843
191: ok 6844
191: ok 6845
191: ok 6846
191: ok 6847
191: ok 6848
191: ok 6849
191: ok 6850
191: ok 6851
191: ok 6852
191: ok 6853
191: ok 6854
191: ok 6855
191: ok 6856
191: ok 6857
191: ok 6858
191: ok 6859
191: ok 6860
191: ok 6861
191: ok 6862
191: ok 6863
191: ok 6864
191: ok 6865
191: ok 6866
191: ok 6867
191: ok 6868
191: ok 6869
191: ok 6870
191: ok 6871
191: ok 6872
191: ok 6873
191: ok 6874
191: ok 6875
191: ok 6876
191: ok 6877
191: ok 6878
191: ok 6879
191: ok 6880
191: ok 6881
191: ok 6882
191: ok 6883
191: ok 6884
191: ok 6885
191: ok 6886
191: ok 6887
191: ok 6888
191: ok 6889
191: ok 6890
191: ok 6891
191: ok 6892
191: ok 6893
191: ok 6894
191: ok 6895
191: ok 6896
191: ok 6897
191: ok 6898
191: ok 6899
191: ok 6900
191: ok 6901
191: ok 6902
191: ok 6903
191: ok 6904
191: ok 6905
191: ok 6906
191: ok 6907
191: ok 6908
191: ok 6909
191: ok 6910
191: ok 6911
191: ok 6912
191: ok 6913
191: ok 6914
191: ok 6915
191: ok 6916
191: ok 6917
191: ok 6918
191: ok 6919
191: ok 6920
191: ok 6921
191: ok 6922
191: ok 6923
191: ok 6924
191: ok 6925
191: ok 6926
191: ok 6927
191: ok 6928
191: ok 6929
191: ok 6930
191: ok 6931
191: ok 6932
191: ok 6933
191: ok 6934
191: ok 6935
191: ok 6936
191: ok 6937
191: ok 6938
191: ok 6939
191: ok 6940
191: ok 6941
191: ok 6942
191: ok 6943
191: ok 6944
191: ok 6945
191: ok 6946
191: ok 6947
191: ok 6948
191: ok 6949
191: ok 6950
191: ok 6951
191: ok 6952
191: ok 6953
191: ok 6954
191: ok 6955
191: ok 6956
191: ok 6957
191: ok 6958
191: ok 6959
191: ok 6960
191: ok 6961
191: ok 6962
191: ok 6963
191: ok 6964
191: ok 6965
191: ok 6966
191: ok 6967
191: ok 6968
191: ok 6969
191: ok 6970
191: ok 6971
191: ok 6972
191: ok 6973
191: ok 6974
191: ok 6975
191: ok 6976
191: ok 6977
191: ok 6978
191: ok 6979
191: ok 6980
191: ok 6981
191: ok 6982
191: ok 6983
191: ok 6984
191: ok 6985
191: ok 6986
191: ok 6987
191: ok 6988
191: ok 6989
191: ok 6990
191: ok 6991
191: ok 6992
191: ok 6993
191: ok 6994
191: ok 6995
191: ok 6996
191: ok 6997
191: ok 6998
191: ok 6999
191: ok 7000
191: # math: passed testEigenvalues
191: # math: entering testEigenvectors
191: ok 7001
191: ok 7002
191: ok 7003
191: ok 7004
191: ok 7005
191: ok 7006
191: ok 7007
191: ok 7008
191: ok 7009
191: ok 7010
191: ok 7011
191: ok 7012
191: ok 7013
191: ok 7014
191: ok 7015
191: ok 7016
191: ok 7017
191: ok 7018
191: ok 7019
191: ok 7020
191: ok 7021
191: ok 7022
191: ok 7023
191: ok 7024
191: ok 7025
191: ok 7026
191: ok 7027
191: ok 7028
191: ok 7029
191: ok 7030
191: ok 7031
191: ok 7032
191: ok 7033
191: ok 7034
191: ok 7035
191: ok 7036
191: ok 7037
191: ok 7038
191: ok 7039
191: ok 7040
191: ok 7041
191: ok 7042
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191: ok 7044
191: ok 7045
191: ok 7046
191: ok 7047
191: ok 7048
191: ok 7049
191: ok 7050
191: ok 7051
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191: ok 7053
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191: ok 7055
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191: ok 7057
191: ok 7058
191: ok 7059
191: ok 7060
191: ok 7061
191: ok 7062
191: ok 7063
191: ok 7064
191: ok 7065
191: ok 7066
191: ok 7067
191: ok 7068
191: ok 7069
191: ok 7070
191: ok 7071
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191: ok 7073
191: ok 7074
191: ok 7075
191: ok 7076
191: ok 7077
191: ok 7078
191: ok 7079
191: ok 7080
191: ok 7081
191: ok 7082
191: ok 7083
191: ok 7084
191: ok 7085
191: ok 7086
191: ok 7087
191: ok 7088
191: ok 7089
191: ok 7090
191: ok 7091
191: ok 7092
191: ok 7093
191: ok 7094
191: ok 7095
191: ok 7096
191: ok 7097
191: ok 7098
191: ok 7099
191: ok 7100
191: ok 7101
191: ok 7102
191: ok 7103
191: ok 7104
191: ok 7105
191: ok 7106
191: ok 7107
191: ok 7108
191: ok 7109
191: ok 7110
191: ok 7111
191: ok 7112
191: ok 7113
191: ok 7114
191: ok 7115
191: ok 7116
191: ok 7117
191: ok 7118
191: ok 7119
191: ok 7120
191: ok 7121
191: ok 7122
191: ok 7123
191: ok 7124
191: ok 7125
191: ok 7126
191: ok 7127
191: ok 7128
191: ok 7129
191: ok 7130
191: ok 7131
191: ok 7132
191: ok 7133
191: ok 7134
191: ok 7135
191: ok 7136
191: ok 7137
191: ok 7138
191: ok 7139
191: ok 7140
191: ok 7141
191: ok 7142
191: ok 7143
191: ok 7144
191: ok 7145
191: ok 7146
191: ok 7147
191: ok 7148
191: ok 7149
191: ok 7150
191: ok 7151
191: ok 7152
191: ok 7153
191: ok 7154
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191: ok 7156
191: ok 7157
191: ok 7158
191: ok 7159
191: ok 7160
191: ok 7161
191: ok 7162
191: ok 7163
191: ok 7164
191: ok 7165
191: ok 7166
191: ok 7167
191: ok 7168
191: ok 7169
191: ok 7170
191: ok 7171
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191: ok 7174
191: ok 7175
191: ok 7176
191: ok 7177
191: ok 7178
191: ok 7179
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191: ok 7181
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191: ok 7183
191: ok 7184
191: ok 7185
191: ok 7186
191: ok 7187
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191: ok 7201
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191: ok 7203
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191: ok 7210
191: ok 7211
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191: ok 7218
191: ok 7219
191: ok 7220
191: ok 7221
191: ok 7222
191: ok 7223
191: ok 7224
191: ok 7225
191: ok 7226
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191: ok 7230
191: ok 7231
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191: ok 7299
191: ok 7300
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qkm_gen.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qkn_ral.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qll_tda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qmq_lrb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qon_i40.sdf
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167: ok 445 # number of heavy atoms match
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167: ok 454 # number of heavy atoms match
167: ok 455 # number of heavy atoms match
167: ok 456 # number of heavy atoms match
167: ok 457 # number of heavy atoms match
167: ok 458 # number of heavy atoms match
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167: ok 461 # number of heavy atoms match
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167: ok 463 # number of heavy atoms match
167: ok 464 # number of heavy atoms match
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167: ok 466 # number of heavy atoms match
167: ok 467 # number of heavy atoms match
167: ok 468 # number of heavy atoms match
167: ok 469 # number of heavy atoms match
167: ok 470 # number of heavy atoms match
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167: ok 472 # number of heavy atoms match
167: ok 473 # number of heavy atoms match
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167: ok 475 # number of heavy atoms match
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167: ok 477 # number of heavy atoms match
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167: ok 480 # number of heavy atoms match
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167: ok 482 # number of heavy atoms match
167: ok 483 # number of heavy atoms match
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167: ok 485 # number of heavy atoms match
167: ok 486 # number of heavy atoms match
167: ok 487 # number of heavy atoms match
167: ok 488 # number of heavy atoms match
167: ok 489 # number of heavy atoms match
167: ok 490 # number of heavy atoms match
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167: ok 492 # number of heavy atoms match
167: ok 493 # number of heavy atoms match
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167: ok 495 # number of heavy atoms match
167: ok 496 # number of heavy atoms match
167: ok 497 # number of heavy atoms match
167: ok 498 # number of heavy atoms match
167: ok 499 # number of heavy atoms match
167: ok 500 # number of heavy atoms match
167: ok 501 # number of heavy atoms match
167: ok 502 # number of heavy atoms match
167: ok 503 # number of heavy atoms match
167: ok 504 # number of heavy atoms match
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167: ok 511 # number of heavy atoms match
167: ok 512 # number of heavy atoms match
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167: ok 522 # number of heavy atoms match
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167: ok 524 # number of heavy atoms match
167: ok 525 # number of heavy atoms match
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167: ok 530 # number of heavy atoms match
167: ok 531 # number of heavy atoms match
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167: ok 540 # number of heavy atoms match
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167: ok 543 # number of heavy atoms match
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167: ok 545 # number of heavy atoms match
167: ok 546 # number of heavy atoms match
167: ok 547 # number of heavy atoms match
167: ok 548 # number of heavy atoms match
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167: ok 550 # number of heavy atoms match
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167: ok 553 # number of heavy atoms match
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167: ok 556 # number of heavy atoms match
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167: ok 559 # number of heavy atoms match
167: ok 560 # number of heavy atoms match
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167: ok 562 # number of heavy atoms match
167: ok 563 # number of heavy atoms match
167: ok 564 # number of heavy atoms match
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167: ok 566 # number of heavy atoms match
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167: ok 569 # number of heavy atoms match
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167: ok 571 # number of heavy atoms match
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167: ok 590 # number of heavy atoms match
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167: ok 603 # number of heavy atoms match
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167: ok 610 # number of heavy atoms match
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167: ok 640 # number of heavy atoms match
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167: ok 650 # number of heavy atoms match
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167: ok 660 # number of heavy atoms match
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167: ok 666 # number of heavy atoms match
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167: ok 669 # number of heavy atoms match
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167: ok 675 # number of heavy atoms match
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167: ok 680 # number of heavy atoms match
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167: ok 713 # number of heavy atoms match
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167: ok 720 # number of heavy atoms match
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167: ok 748 # number of heavy atoms match
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167: ok 766 # number of heavy atoms match
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167: ok 768 # number of heavy atoms match
167: ok 769 # number of heavy atoms match
167: ok 770 # number of heavy atoms match
167: ok 771 # number of heavy atoms match
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167: ok 773 # number of heavy atoms match
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167: ok 777 # number of heavy atoms match
167: ok 778 # number of heavy atoms match
167: ok 779 # number of heavy atoms match
167: ok 780 # number of heavy atoms match
167: ok 781 # number of heavy atoms match
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167: ok 800 # number of heavy atoms match
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167: ok 820 # number of heavy atoms match
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167: ok 850 # number of heavy atoms match
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167: ok 859 # number of heavy atoms match
167: ok 860 # number of heavy atoms match
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167: ok 862 # number of heavy atoms match
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167: ok 864 # number of heavy atoms match
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167: ok 866 # number of heavy atoms match
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167: ok 888 # number of heavy atoms match
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167: ok 897 # number of heavy atoms match
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167: ok 899 # number of heavy atoms match
167: ok 900 # number of heavy atoms match
167: ok 901 # number of heavy atoms match
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167: ok 903 # number of heavy atoms match
167: ok 904 # number of heavy atoms match
167: ok 905 # number of heavy atoms match
167: ok 906 # number of heavy atoms match
167: ok 907 # number of heavy atoms match
167: ok 908 # number of heavy atoms match
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167: ok 910 # number of heavy atoms match
167: ok 911 # number of heavy atoms match
167: ok 912 # number of heavy atoms match
167: ok 913 # number of heavy atoms match
167: ok 914 # number of heavy atoms match
167: ok 915 # number of heavy atoms match
167: ok 916 # number of heavy atoms match
167: ok 917 # number of heavy atoms match
167: ok 918 # number of heavy atoms match
167: ok 919 # number of heavy atoms match
167: ok 920 # number of heavy atoms match
167: ok 921 # number of heavy atoms match
167: ok 922 # number of heavy atoms match
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167: ok 927 # number of heavy atoms match
167: ok 928 # number of heavy atoms match
167: ok 929 # number of heavy atoms match
167: ok 930 # number of heavy atoms match
167: ok 931 # number of heavy atoms match
167: ok 932 # number of heavy atoms match
167: ok 933 # number of heavy atoms match
167: ok 934 # number of heavy atoms match
167: ok 935 # number of heavy atoms match
167: ok 936 # number of heavy atoms match
167: ok 937 # number of heavy atoms match
167: ok 938 # number of heavy atoms match
167: ok 939 # number of heavy atoms match
167: ok 940 # number of heavy atoms match
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167: ok 942 # number of heavy atoms match
167: ok 943 # number of heavy atoms match
167: ok 944 # number of heavy atoms match
167: ok 945 # number of heavy atoms match
167: ok 946 # number of heavy atoms match
167: ok 947 # number of heavy atoms match
167: ok 948 # number of heavy atoms match
167: ok 949 # number of heavy atoms match
167: ok 950 # number of heavy atoms match
167: ok 951 # number of heavy atoms match
167: ok 952 # number of heavy atoms match
167: ok 953 # number of heavy atoms match
167: ok 954 # number of heavy atoms match
167: ok 955 # number of heavy atoms match
167: ok 956 # number of heavy atoms match
167: ok 957 # number of heavy atoms match
167: ok 958 # number of heavy atoms match
167: ok 959 # number of heavy atoms match
167: ok 960 # number of heavy atoms match
167: ok 961 # number of heavy atoms match
167: ok 962 # number of heavy atoms match
167: ok 963 # number of heavy atoms match
167: ok 964 # number of heavy atoms match
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167: ok 966 # number of heavy atoms match
167: ok 967 # number of heavy atoms match
167: ok 968 # number of heavy atoms match
167: ok 969 # number of heavy atoms match
167: ok 970 # number of heavy atoms match
167: ok 971 # number of heavy atoms match
167: ok 972 # number of heavy atoms match
167: ok 973 # number of heavy atoms match
167: ok 974 # number of heavy atoms match
167: ok 975 # number of heavy atoms match
167: ok 976 # number of heavy atoms match
167: ok 977 # number of heavy atoms match
167: ok 978 # number of heavy atoms match
167: ok 979 # number of heavy atoms match
167: ok 980 # number of heavy atoms match
167: ok 981 # number of heavy atoms match
167: ok 982 # number of heavy atoms match
167: ok 983 # number of heavy atoms match
167: ok 984 # number of heavy atoms match
167: ok 985 # number of heavy atoms match
167: ok 986 # number of heavy atoms match
167: ok 987 # number of heavy atoms match
167: ok 988 # number of heavy atoms match
167: ok 989 # number of heavy atoms match
167: ok 990 # number of heavy atoms match
167: ok 991 # number of heavy atoms match
167: ok 992 # number of heavy atoms match
167: ok 993 # number of heavy atoms match
167: ok 994 # number of heavy atoms match
167: ok 995 # number of heavy atoms match
167: ok 996 # number of heavy atoms match
167: ok 997 # number of heavy atoms match
167: ok 998 # number of heavy atoms match
167: ok 999 # number of heavy atoms match
167: ok 1000 # number of heavy atoms match
167: ok 1001 # number of heavy atoms match
167: ok 1002 # number of heavy atoms match
167: ok 1003 # number of heavy atoms match
167: ok 1004 # number of heavy atoms match
167: ok 1005 # number of heavy atoms match
171: 12       (-53.944,  73.905, -96.608)  (-53.940,  73.910, -96.597)  ( 0.01,  0.01,  0.01)
171:     bond    (-45.198,  63.879, -110.646)  (-45.196,  63.883, -110.636)  ( 0.00,  0.01,  0.01)
171:     angle   ( -4.286,   6.292,   5.384)  ( -4.284,   6.294,   5.384)  ( 0.04,  0.02,  0.01)
171:     torsion ( -0.002,  -0.002,   0.000)  ( -0.002,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.303,   3.555,   8.383)  ( -4.303,   3.555,   8.383)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.155,   0.180,   0.272)  ( -0.155,   0.180,   0.272)  ( 0.00,  0.00,  0.00)
171: 13       (-54.454, -122.162,  10.382)  (-54.450, -122.149,  10.385)  ( 0.01,  0.01,  0.02)
171:     bond    (-45.191, -127.826,   0.071)  (-45.189, -127.813,   0.071)  ( 0.00,  0.01,  0.00)
171:     angle   ( -4.274,   1.515,   8.186)  ( -4.272,   1.515,   8.188)  ( 0.04,  0.01,  0.02)
171:     torsion (  0.004,  -0.001,   0.002)  (  0.004,  -0.001,   0.002)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.822,   3.908,   2.023)  ( -4.822,   3.908,   2.023)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.171,   0.242,   0.100)  ( -0.171,   0.242,   0.100)  ( 0.00,  0.00,  0.00)
171: ok 12 # gradients 
171: ok 13 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (  5.260,  -5.148,  -2.361)  (  5.295,  -5.114,  -2.351)  ( 0.66,  0.67,  0.43)
171:     bond    ( 24.503, -13.273,  -6.986)  ( 24.527, -13.246,  -6.983)  ( 0.10,  0.20,  0.05)
171:     angle   (  5.776,   8.041,   2.076)  (  5.785,   8.048,   2.077)  ( 0.17,  0.09,  0.04)
171:     torsion (  0.111,  -0.262,   0.581)  (  0.111,  -0.261,   0.587)  ( 0.00,  0.02,  0.30)
171:     oop     ( -0.010,   0.041,  -0.129)  ( -0.010,   0.041,  -0.128)  ( 0.00,  0.00,  0.01)
171:     vdw     (-24.970,   0.489,   2.359)  (-24.969,   0.489,   2.359)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.150,  -0.184,  -0.263)  ( -0.150,  -0.184,  -0.263)  ( 0.00,  0.00,  0.00)
171:  2       ( 21.589,  -5.064,  -1.366)  ( 21.626,  -5.032,  -1.356)  ( 0.17,  0.65,  0.72)
171:     bond    ( 28.371, -14.839,  -6.987)  ( 28.399, -14.815,  -6.984)  ( 0.10,  0.16,  0.04)
171:     angle   (  5.127, -11.898,  -4.480)  (  5.136, -11.890,  -4.479)  ( 0.16,  0.07,  0.02)
171:     torsion ( -0.039,  -0.121,   0.555)  ( -0.039,  -0.120,   0.560)  ( 0.00,  0.01,  0.29)
171:     oop     (  0.053,  -0.261,   0.756)  (  0.053,  -0.261,   0.757)  ( 0.00,  0.00,  0.05)
171:     vdw     (-11.673,  22.514,   9.309)  (-11.673,  22.514,   9.309)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.250,  -0.460,  -0.520)  ( -0.250,  -0.460,  -0.520)  ( 0.00,  0.00,  0.00)
171:  3       (-20.508,  13.173, -15.744)  (-20.471,  13.206, -15.734)  ( 0.18,  0.25,  0.07)
171:     bond    (-12.501, -44.238, -14.912)  (-12.473, -44.215, -14.908)  ( 0.23,  0.05,  0.02)
171:     angle   (  5.010,  29.663,  10.345)  (  5.018,  29.671,  10.346)  ( 0.17,  0.03,  0.01)
171:     torsion ( -0.498,   1.296,  -4.211)  ( -0.498,   1.297,  -4.205)  ( 0.00,  0.05,  0.12)
171:     oop     ( -0.099,   0.419,  -1.199)  ( -0.098,   0.419,  -1.198)  ( 0.00,  0.00,  0.06)
171:     vdw     (-11.894,  26.583,  -4.757)  (-11.893,  26.583,  -4.756)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.527,  -0.549,  -1.012)  ( -0.527,  -0.549,  -1.012)  ( 0.00,  0.00,  0.00)
171:  4       (-74.893, -26.370, -29.390)  (-74.856, -26.335, -29.379)  ( 0.05,  0.13,  0.04)
171:     bond    (-72.784,  16.430,  10.408)  (-72.758,  16.456,  10.412)  ( 0.04,  0.16,  0.04)
171:     angle   (-19.957, -39.249, -23.098)  (-19.947, -39.241, -23.096)  ( 0.05,  0.02,  0.01)
171:     torsion ( -0.579,   1.308,  -5.329)  ( -0.579,   1.309,  -5.324)  ( 0.00,  0.06,  0.09)
171:     oop     ( -0.078,   0.279,  -0.667)  ( -0.078,   0.279,  -0.667)  ( 0.00,  0.00,  0.01)
171:     vdw     ( 17.836,  -5.464, -11.173)  ( 17.837,  -5.464, -11.173)  ( 0.00,  0.00,  0.00)
171:     electro (  0.668,   0.326,   0.469)  (  0.668,   0.326,   0.469)  ( 0.00,  0.00,  0.00)
171:  5       (-30.629,  -6.041,  27.219)  (-30.591,  -6.009,  27.229)  ( 0.12,  0.54,  0.04)
171:     bond    (-35.335,  32.570,  16.427)  (-35.307,  32.594,  16.431)  ( 0.08,  0.07,  0.02)
171:     angle   (-11.648,  -7.912,  -1.789)  (-11.639,  -7.904,  -1.788)  ( 0.07,  0.10,  0.06)
171:     torsion (  1.790,  -7.107,  18.634)  (  1.790,  -7.107,  18.639)  ( 0.00,  0.01,  0.03)
171:     oop     (  0.322,  -1.081,   3.045)  (  0.322,  -1.081,   3.045)  ( 0.00,  0.01,  0.02)
171:     vdw     ( 13.738, -22.556,  -8.840)  ( 13.738, -22.555,  -8.840)  ( 0.00,  0.00,  0.00)
171:     electro (  0.504,   0.044,  -0.258)  (  0.504,   0.044,  -0.258)  ( 0.00,  0.00,  0.00)
171:  6       ( 13.714,   4.272,  -1.854)  ( 13.751,   4.304,  -1.844)  ( 0.27,  0.77,  0.55)
171:     bond    ( 38.529,  26.713,   5.049)  ( 38.558,  26.736,   5.053)  ( 0.07,  0.09,  0.07)
171:     angle   ( -9.725,   0.549,   1.163)  ( -9.716,   0.557,   1.164)  ( 0.08,  0.45,  0.09)
171:     torsion ( -0.017,   0.655,  -0.559)  ( -0.017,   0.656,  -0.554)  ( 0.00,  0.04,  0.28)
171:     oop     ( -0.037,   0.144,  -0.360)  ( -0.037,   0.145,  -0.359)  ( 0.00,  0.00,  0.03)
171:     vdw     (-15.307, -23.860,  -6.973)  (-15.307, -23.860,  -6.973)  ( 0.00,  0.00,  0.00)
171:     electro (  0.271,   0.070,  -0.175)  (  0.271,   0.070,  -0.175)  ( 0.00,  0.00,  0.00)
171:  7       (155.062,  58.275, 140.792)  (155.097,  58.294, 140.814)  ( 0.02,  0.03,  0.02)
171:     bond    (123.692,  55.388,  93.502)  (123.718,  55.400,  93.517)  ( 0.02,  0.02,  0.02)
171:     angle   ( 50.368,  29.010,  24.472)  ( 50.376,  29.016,  24.477)  ( 0.02,  0.02,  0.02)
171:     torsion ( -8.787, -46.879,  31.890)  ( -8.786, -46.878,  31.891)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -5.248,  21.884,  -9.351)  ( -5.248,  21.885,  -9.351)  ( 0.00,  0.00,  0.00)
171:     electro ( -4.963,  -1.128,   0.280)  ( -4.963,  -1.128,   0.280)  ( 0.00,  0.00,  0.00)
171:  8       (-55.997,  21.994,  41.099)  (-55.960,  22.008,  41.133)  ( 0.07,  0.07,  0.08)
171:     bond    (-124.586, -15.539, -11.759)  (-124.560, -15.529, -11.729)  ( 0.02,  0.06,  0.25)
171:     angle   ( 60.058,  66.972,  82.045)  ( 60.068,  66.975,  82.050)  ( 0.02,  0.00,  0.01)
171:     torsion ( -3.015,  -4.995, -33.899)  ( -3.015,  -4.994, -33.900)  ( 0.00,  0.02,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  8.161, -23.778,   4.119)  (  8.161, -23.777,   4.119)  ( 0.00,  0.00,  0.00)
171:     electro (  3.385,  -0.667,   0.594)  (  3.385,  -0.667,   0.594)  ( 0.00,  0.00,  0.00)
171:  9       ( -4.626, -55.968, -86.986)  ( -4.618, -55.961, -86.966)  ( 0.17,  0.01,  0.02)
171:     bond    ( 33.790, -47.731, -90.141)  ( 33.793, -47.725, -90.122)  ( 0.01,  0.01,  0.02)
171:     angle   (-60.901, -11.446, -16.774)  (-60.898, -11.446, -16.774)  ( 0.01,  0.00,  0.00)
171:     torsion ( -1.721,  40.864, -22.286)  ( -1.721,  40.864, -22.286)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 29.386, -37.753,  45.421)  ( 29.387, -37.752,  45.422)  ( 0.00,  0.00,  0.00)
171:     electro ( -5.180,   0.098,  -3.207)  ( -5.180,   0.098,  -3.207)  ( 0.00,  0.00,  0.00)
171: 10       (875.543, -1004.615, -67.954)  (875.579, -1004.581, -67.945)  ( 0.00,  0.00,  0.01)
171:     bond    (939.244, -991.164, -28.908)  (939.277, -991.135, -28.901)  ( 0.00,  0.00,  0.02)
171:     angle   (-69.172,  -9.984, -73.622)  (-69.169,  -9.979, -73.620)  ( 0.00,  0.05,  0.00)
171:     torsion (  3.542,  -1.685,  33.660)  (  3.543,  -1.685,  33.660)  ( 0.00,  0.02,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.743,  -1.844,   0.105)  (  1.743,  -1.844,   0.105)  ( 0.00,  0.01,  0.00)
171:     electro (  0.186,   0.063,   0.811)  (  0.186,   0.063,   0.811)  ( 0.00,  0.00,  0.00)
171: 11       ( 23.100, -113.050,  57.542)  ( 23.136, -113.014,  57.549)  ( 0.15,  0.03,  0.01)
171:     bond    (-93.024, -80.287,  13.134)  (-92.999, -80.260,  13.137)  ( 0.03,  0.03,  0.03)
171:     angle   (110.080, -19.203,  59.248)  (110.089, -19.195,  59.249)  ( 0.01,  0.04,  0.00)
171:     torsion (  4.856,  -8.992, -13.058)  (  4.856,  -8.992, -13.056)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.131,  -4.357,  -2.302)  (  2.131,  -4.357,  -2.302)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.942,  -0.210,   0.520)  ( -0.942,  -0.210,   0.520)  ( 0.00,  0.00,  0.00)
171: 12       ( 15.143, -27.766, -22.308)  ( 15.177, -27.732, -22.303)  ( 0.23,  0.12,  0.02)
171:     bond    (-47.709,  41.747,  -8.556)  (-47.682,  41.771,  -8.555)  ( 0.06,  0.06,  0.01)
171:     angle   ( 61.470, -59.892,   6.134)  ( 61.477, -59.882,   6.136)  ( 0.01,  0.02,  0.03)
171:     torsion (  0.115,  -3.935, -16.158)  (  0.115,  -3.935, -16.156)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.791,  -6.546,   1.962)  ( -2.791,  -6.546,   1.962)  ( 0.00,  0.00,  0.00)
171:     electro (  4.059,   0.859,  -5.691)  (  4.059,   0.859,  -5.691)  ( 0.00,  0.00,  0.00)
171: 13       (-1137.252, -377.437, -32.765)  (-1137.216, -377.407, -32.759)  ( 0.00,  0.01,  0.02)
171:     bond    (-1094.636, -401.172, -36.735)  (-1094.607, -401.144, -36.730)  ( 0.00,  0.01,  0.01)
171:     angle   (-12.380,   1.580,  -0.589)  (-12.374,   1.581,  -0.589)  ( 0.05,  0.08,  0.01)
171:     torsion (  0.047,   0.779,   1.225)  (  0.047,   0.779,   1.226)  ( 0.00,  0.00,  0.10)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-29.960,  21.326,   3.138)  (-29.959,  21.327,   3.138)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.323,   0.049,   0.196)  ( -0.323,   0.049,   0.196)  ( 0.00,  0.00,  0.00)
171: 14       (260.439, 1601.601,  42.043)  (260.471, 1601.637,  42.053)  ( 0.01,  0.00,  0.03)
171:     bond    (272.029, 1597.553,  19.991)  (272.058, 1597.589,  20.000)  ( 0.01,  0.00,  0.05)
171:     angle   (-14.439,   2.075,   1.537)  (-14.436,   2.075,   1.537)  ( 0.02,  0.00,  0.00)
171:     torsion (  0.332,  -0.786,  20.047)  (  0.332,  -0.786,  20.048)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.662,   2.649,   0.254)  (  2.662,   2.649,   0.254)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.146,   0.111,   0.214)  ( -0.146,   0.111,   0.214)  ( 0.00,  0.00,  0.00)
171: 15       ( 57.542, -120.911, -34.639)  ( 57.578, -120.875, -34.632)  ( 0.06,  0.03,  0.02)
171:     bond    ( 48.171, -80.391,  -8.660)  ( 48.199, -80.365,  -8.659)  ( 0.06,  0.03,  0.01)
171:     angle   ( 10.637, -59.373,  -5.034)  ( 10.644, -59.363,  -5.034)  ( 0.07,  0.02,  0.00)
171:     torsion ( -2.988,  -1.203, -22.337)  ( -2.988,  -1.203, -22.332)  ( 0.00,  0.00,  0.02)
171:     oop     (  0.011,  -0.008,   0.152)  (  0.011,  -0.008,   0.152)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.570,  20.372,   1.417)  (  1.570,  20.373,   1.417)  ( 0.00,  0.00,  0.00)
171:     electro (  0.142,  -0.309,  -0.178)  (  0.142,  -0.309,  -0.178)  ( 0.00,  0.00,  0.00)
171: 16       (-56.235, -50.392,   7.997)  (-56.199, -50.355,   8.005)  ( 0.06,  0.07,  0.09)
171:     bond    ( 12.036, -78.103, -10.446)  ( 12.062, -78.076, -10.445)  ( 0.22,  0.03,  0.01)
171:     angle   (-49.064,  17.676,   7.076)  (-49.055,  17.684,   7.076)  ( 0.02,  0.05,  0.00)
171:     torsion (  0.992,  -0.564,   7.080)  (  0.992,  -0.564,   7.085)  ( 0.02,  0.01,  0.08)
171:     oop     (  0.053,  -0.039,   0.344)  (  0.053,  -0.039,   0.345)  ( 0.00,  0.00,  0.02)
171:     vdw     (-20.514,  10.870,   4.689)  (-20.513,  10.870,   4.688)  ( 0.00,  0.00,  0.00)
171:     electro (  0.261,  -0.231,  -0.745)  (  0.261,  -0.231,  -0.745)  ( 0.00,  0.00,  0.00)
171: 17       (  9.152,  29.790,   6.800)  (  9.187,  29.827,   6.808)  ( 0.38,  0.13,  0.11)
171:     bond    ( 27.062,  61.293,   3.726)  ( 27.088,  61.322,   3.727)  ( 0.09,  0.05,  0.03)
171:     angle   ( 11.473, -19.158,  -4.514)  ( 11.482, -19.150,  -4.513)  ( 0.08,  0.04,  0.00)
171:     torsion (  0.986,  -0.675,   6.162)  (  0.986,  -0.675,   6.167)  ( 0.01,  0.00,  0.09)
171:     oop     ( -0.012,   0.009,  -0.074)  ( -0.012,   0.009,  -0.073)  ( 0.00,  0.00,  0.01)
171:     vdw     (-30.693, -11.779,   1.910)  (-30.693, -11.779,   1.910)  ( 0.00,  0.00,  0.00)
171:     electro (  0.336,   0.100,  -0.410)  (  0.336,   0.100,  -0.410)  ( 0.00,  0.00,  0.00)
171: 18       (-10.892,   2.830,   3.149)  (-10.855,   2.865,   3.156)  ( 0.34,  1.22,  0.23)
171:     bond    (-26.108,  11.489,   3.751)  (-26.079,  11.513,   3.752)  ( 0.11,  0.21,  0.02)
171:     angle   ( 17.655,  11.443,  -0.386)  ( 17.663,  11.452,  -0.386)  ( 0.05,  0.08,  0.01)
171:     torsion (  0.023,  -0.004,   0.922)  (  0.023,  -0.004,   0.928)  ( 0.00,  0.00,  0.52)
171:     oop     (  0.054,  -0.057,   0.611)  (  0.054,  -0.057,   0.612)  ( 0.00,  0.00,  0.05)
171:     vdw     ( -2.621, -20.472,  -1.573)  ( -2.621, -20.472,  -1.573)  ( 0.00,  0.00,  0.00)
171:     electro (  0.104,   0.432,  -0.177)  (  0.104,   0.432,  -0.177)  ( 0.00,  0.00,  0.00)
171: 19       ( -6.706,  41.818,   5.067)  ( -6.670,  41.854,   5.074)  ( 0.53,  0.09,  0.14)
171:     bond    ( 14.817,  44.410,   2.107)  ( 14.843,  44.438,   2.107)  ( 0.18,  0.06,  0.02)
171:     angle   (-43.553,  13.281,   5.879)  (-43.544,  13.290,   5.879)  ( 0.02,  0.06,  0.00)
171:     torsion (  0.360,  -0.156,   1.756)  (  0.360,  -0.156,   1.761)  ( 0.00,  0.00,  0.32)
171:     oop     ( -0.056,   0.054,  -0.676)  ( -0.056,   0.054,  -0.675)  ( 0.00,  0.00,  0.05)
171:     vdw     ( 21.895, -15.986,  -3.850)  ( 21.895, -15.985,  -3.850)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.168,   0.214,  -0.149)  ( -0.168,   0.214,  -0.149)  ( 0.00,  0.00,  0.00)
171: 20       ( 33.861, -14.075,  -4.471)  ( 33.896, -14.037,  -4.464)  ( 0.10,  0.27,  0.17)
171:     bond    (-68.040,   7.618,   7.671)  (-68.016,   7.647,   7.672)  ( 0.04,  0.38,  0.01)
171:     angle   ( 76.836, -12.707,  -9.348)  ( 76.845, -12.699,  -9.347)  ( 0.01,  0.06,  0.00)
171:     torsion (  0.614,   0.590,   2.084)  (  0.614,   0.590,   2.090)  ( 0.00,  0.00,  0.27)
171:     oop     ( -0.077,   0.050,  -0.633)  ( -0.077,   0.050,  -0.633)  ( 0.00,  0.00,  0.04)
171:     vdw     ( 24.478,  -9.518,  -4.065)  ( 24.478,  -9.517,  -4.065)  ( 0.00,  0.01,  0.00)
171:     electro (  0.052,  -0.108,  -0.180)  (  0.052,  -0.108,  -0.180)  ( 0.00,  0.00,  0.00)
171: 21       (-75.195, -94.709, -19.957)  (-75.167, -94.680, -19.932)  ( 0.04,  0.03,  0.13)
171:     bond    ( 19.062, -134.756,  15.494)  ( 19.079, -134.736,  15.511)  ( 0.09,  0.02,  0.11)
171:     angle   (-89.681,  26.976, -66.234)  (-89.670,  26.985, -66.227)  ( 0.01,  0.03,  0.01)
171:     torsion ( -3.611,   9.328,  32.657)  ( -3.611,   9.329,  32.658)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.154,   3.733,  -1.804)  ( -1.154,   3.733,  -1.804)  ( 0.01,  0.00,  0.00)
171:     electro (  0.189,   0.010,  -0.070)  (  0.189,   0.010,  -0.070)  ( 0.00,  0.00,  0.00)
171: 22       (-43.849,  35.946,  22.482)  (-43.823,  35.972,  22.509)  ( 0.06,  0.07,  0.12)
171:     bond    ( -1.607,  16.616,   5.991)  ( -1.588,  16.634,   6.010)  ( 1.16,  0.11,  0.31)
171:     angle   (-44.070,  -0.727,  18.021)  (-44.063,  -0.719,  18.029)  ( 0.02,  0.57,  0.05)
171:     torsion (  0.893,  -0.137,   1.141)  (  0.893,  -0.137,   1.141)  ( 0.01,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.119,  19.447,  -1.705)  (  0.119,  19.448,  -1.705)  ( 0.00,  0.00,  0.00)
171:     electro (  0.815,   0.747,  -0.966)  (  0.815,   0.747,  -0.966)  ( 0.00,  0.00,  0.00)
171: 23       ( 40.128,  62.376, -18.735)  ( 40.155,  62.403, -18.709)  ( 0.07,  0.04,  0.14)
171:     bond    (  7.688,  25.680,  -0.842)  (  7.706,  25.698,  -0.823)  ( 0.23,  0.07,  1.60)
171:     angle   ( 45.824,   9.442,  -7.751)  ( 45.832,   9.449,  -7.744)  ( 0.02,  0.08,  0.09)
171:     torsion (  1.073,  -0.468,   3.006)  (  1.073,  -0.468,   3.006)  ( 0.01,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-15.139,  27.642, -12.904)  (-15.139,  27.642, -12.904)  ( 0.00,  0.00,  0.00)
171:     electro (  0.683,   0.081,  -0.245)  (  0.683,   0.081,  -0.245)  ( 0.00,  0.00,  0.00)
171: 24       (-35.350,  24.158, -20.842)  (-35.322,  24.186, -20.816)  ( 0.08,  0.12,  0.12)
171:     bond    (-17.074, -20.890,   6.795)  (-17.055, -20.874,   6.814)  ( 0.11,  0.08,  0.28)
171:     angle   (-34.211,  74.889, -31.291)  (-34.202,  74.900, -31.285)  ( 0.03,  0.01,  0.02)
171:     torsion (  0.030,  -0.597,  -2.797)  (  0.030,  -0.597,  -2.797)  ( 0.00,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 15.941, -29.333,   6.141)  ( 15.941, -29.332,   6.141)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.036,   0.090,   0.311)  ( -0.036,   0.090,   0.311)  ( 0.00,  0.00,  0.00)
171: 25       ( -4.005, -35.757,   9.757)  ( -3.978, -35.729,   9.783)  ( 0.68,  0.08,  0.27)
171:     bond    (-19.308, -21.655,   3.878)  (-19.290, -21.638,   3.896)  ( 0.09,  0.08,  0.48)
171:     angle   (-12.970, -44.781,  10.202)  (-12.962, -44.772,  10.210)  ( 0.07,  0.02,  0.08)
171:     torsion (  0.291,  -1.681,  -0.670)  (  0.291,  -1.681,  -0.669)  ( 0.00,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 28.060,  32.404,  -3.626)  ( 28.061,  32.404,  -3.626)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.078,  -0.042,  -0.027)  ( -0.078,  -0.042,  -0.027)  ( 0.00,  0.00,  0.00)
171: 26       (-12.718,  32.035, -17.139)  (-12.693,  32.063, -17.112)  ( 0.20,  0.09,  0.16)
171:     bond    ( 26.194,  -4.992, -20.042)  ( 26.211,  -4.974, -20.024)  ( 0.06,  0.36,  0.09)
171:     angle   (-34.739,  37.730,  -1.113)  (-34.730,  37.740,  -1.104)  ( 0.02,  0.03,  0.80)
171:     torsion ( -1.357,   1.201,   3.532)  ( -1.357,   1.201,   3.533)  ( 0.00,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.664,  -2.061,  -0.071)  ( -2.664,  -2.061,  -0.071)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.152,   0.156,   0.554)  ( -0.152,   0.156,   0.554)  ( 0.00,  0.00,  0.00)
171: 27       (-21.880, -34.632,  -0.479)  (-21.853, -34.605,  -0.453)  ( 0.12,  0.08,  1.27)
171:     bond    (-14.761,  -7.627,  -1.929)  (-14.743,  -7.610,  -1.910)  ( 0.12,  0.23,  0.95)
171:     angle   (-11.619, -28.651,  -4.838)  (-11.610, -28.642,  -4.830)  ( 0.07,  0.03,  0.16)
171:     torsion (  0.246,  -1.631,   2.532)  (  0.246,  -1.631,   2.532)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.254,   3.276,   3.753)  (  4.254,   3.276,   3.753)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.001,   0.001,   0.002)  ( -0.001,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
171: 28       (-68.563,   7.677,  62.614)  (-68.536,   7.704,  62.641)  ( 0.04,  0.35,  0.04)
171:     bond    ( -6.862,  14.567,  27.689)  ( -6.845,  14.586,  27.706)  ( 0.25,  0.13,  0.06)
171:     angle   (-56.818,  -9.228,  33.605)  (-56.808,  -9.219,  33.614)  ( 0.02,  0.09,  0.03)
171:     torsion ( -0.326,   6.423,   2.908)  ( -0.326,   6.423,   2.908)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.961,  -4.071,  -1.336)  ( -6.960,  -4.071,  -1.336)  ( 0.01,  0.00,  0.00)
171:     electro (  2.404,  -0.015,  -0.252)  (  2.404,  -0.015,  -0.252)  ( 0.00,  0.00,  0.00)
171: 29       ( 97.566,  39.234,  49.639)  ( 97.592,  39.261,  49.667)  ( 0.03,  0.07,  0.06)
171:     bond    ( 38.958,   1.760, -15.397)  ( 38.975,   1.780, -15.379)  ( 0.04,  1.10,  0.12)
171:     angle   ( 47.662,  38.092,  64.344)  ( 47.671,  38.100,  64.354)  ( 0.02,  0.02,  0.01)
171:     torsion ( -0.571,  -2.671,   1.376)  ( -0.571,  -2.671,   1.376)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 11.548,   2.593,   0.651)  ( 11.548,   2.593,   0.651)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.031,  -0.541,  -1.335)  ( -0.031,  -0.541,  -1.335)  ( 0.00,  0.00,  0.00)
171: 30       (-211.241,   2.375, -460.366)  (-211.218,   2.392, -460.326)  ( 0.01,  0.73,  0.01)
171:     bond    (-93.984, 105.320, -344.512)  (-93.969, 105.332, -344.479)  ( 0.02,  0.01,  0.01)
171:     angle   (-135.067, -96.566, -99.825)  (-135.060, -96.561, -99.819)  ( 0.01,  0.01,  0.01)
171:     torsion (  3.176,  -4.069,   1.071)  (  3.176,  -4.069,   1.071)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 11.760,  -1.588,  -9.710)  ( 11.761,  -1.588,  -9.710)  ( 0.00,  0.00,  0.00)
171:     electro (  2.875,  -0.722,  -7.390)  (  2.875,  -0.723,  -7.390)  ( 0.00,  0.00,  0.00)
171: 31       ( 84.573, -65.899, 260.818)  ( 84.577, -65.890, 260.838)  ( 0.00,  0.01,  0.01)
171:     bond    (-23.042, -129.937, 215.320)  (-23.041, -129.929, 215.340)  ( 0.01,  0.01,  0.01)
171:     angle   (104.345,  56.237,  45.097)  (104.348,  56.238,  45.097)  ( 0.00,  0.00,  0.00)
171:     torsion ( -1.582,   2.176,   1.144)  ( -1.582,   2.176,   1.144)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  7.150,   6.735,  -1.246)  (  7.150,   6.735,  -1.246)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.298,  -1.110,   0.503)  ( -2.298,  -1.110,   0.503)  ( 0.00,  0.00,  0.00)
171: 32       (153.921,  45.857, 101.832)  (153.929,  45.858, 101.846)  ( 0.01,  0.00,  0.01)
171:     bond    ( 88.385,   2.775, 131.073)  ( 88.390,   2.774, 131.086)  ( 0.01,  0.02,  0.01)
171:     angle   ( 29.465,  35.231, -20.615)  ( 29.466,  35.233, -20.614)  ( 0.00,  0.00,  0.00)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 40.401,   7.952, -10.988)  ( 40.402,   7.952, -10.988)  ( 0.00,  0.00,  0.00)
171:     electro ( -4.330,  -0.101,   2.362)  ( -4.330,  -0.101,   2.362)  ( 0.00,  0.00,  0.00)
171: 33       ( 34.599,   8.773,  17.015)  ( 34.601,   8.792,  17.029)  ( 0.01,  0.23,  0.09)
171:     bond    ( -0.931,  -0.094,  13.188)  ( -0.931,  -0.076,  13.198)  ( 0.00,  0.17,  0.08)
171:     angle   ( 37.679,  -5.459,   3.706)  ( 37.681,  -5.457,   3.710)  ( 0.01,  0.03,  0.12)
171:     torsion ( -2.198,   0.487,  -0.359)  ( -2.198,   0.487,  -0.359)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.106,  13.218,   8.037)  (  6.106,  13.219,   8.037)  ( 0.01,  0.00,  0.00)
171:     electro ( -6.057,   0.619,  -7.557)  ( -6.057,   0.619,  -7.557)  ( 0.00,  0.00,  0.00)
171: 34       ( 33.130,   5.463, -20.134)  ( 33.150,   5.466, -20.118)  ( 0.06,  0.05,  0.08)
171:     bond    ( 36.819,   7.564, -22.250)  ( 36.835,   7.564, -22.238)  ( 0.04,  0.01,  0.06)
171:     angle   ( 20.113,   0.836, -26.169)  ( 20.115,   0.838, -26.166)  ( 0.01,  0.17,  0.01)
171:     torsion (  0.873,  -4.115,  -0.376)  (  0.873,  -4.115,  -0.376)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-19.554,   7.633,  28.136)  (-19.553,   7.633,  28.136)  ( 0.01,  0.00,  0.00)
171:     electro ( -5.121,  -6.454,   0.526)  ( -5.121,  -6.454,   0.526)  ( 0.00,  0.00,  0.00)
171: 35       ( -1.397,  -2.301,  -2.598)  ( -1.382,  -2.298,  -2.596)  ( 1.02,  0.14,  0.07)
171:     bond    ( -0.207,   0.003,   0.020)  ( -0.193,   0.003,   0.021)  ( 0.30,  0.00,  0.00)
171:     angle   ( -0.154,  -3.078,  -1.048)  ( -0.154,  -3.075,  -1.048)  ( 0.00,  0.10,  0.03)
171:     torsion ( -0.177,   0.616,  -1.738)  ( -0.177,   0.616,  -1.737)  ( 0.00,  0.01,  0.07)
171:     oop     ( -0.010,   0.032,  -0.094)  ( -0.010,   0.032,  -0.094)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.430,   0.011,   0.053)  ( -0.430,   0.011,   0.053)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.419,   0.115,   0.210)  ( -0.419,   0.115,   0.210)  ( 0.00,  0.00,  0.00)
171: 36       ( -3.638,  -2.095,   2.460)  ( -3.633,  -2.084,   2.463)  ( 0.16,  0.52,  0.11)
171:     bond    ( -0.077,   0.125,   0.050)  ( -0.074,   0.135,   0.052)  ( 0.02,  0.13,  0.01)
171:     angle   ( -4.012,  -2.038,  -0.376)  ( -4.009,  -2.037,  -0.376)  ( 0.07,  0.03,  0.00)
171:     torsion (  0.205,  -0.846,   2.500)  (  0.205,  -0.846,   2.501)  ( 0.00,  0.01,  0.05)
171:     oop     ( -0.015,   0.069,  -0.201)  ( -0.015,   0.069,  -0.201)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.199,   0.358,   0.149)  ( -0.199,   0.358,   0.149)  ( 0.00,  0.00,  0.00)
171:     electro (  0.459,   0.237,   0.338)  (  0.459,   0.237,   0.338)  ( 0.00,  0.00,  0.00)
171: 37       ( -2.211,  -0.190,  -2.679)  ( -2.204,  -0.179,  -2.676)  ( 0.31,  0.20,  0.09)
171:     bond    (  0.399,   0.635,   0.185)  (  0.403,   0.645,   0.186)  ( 0.15,  0.62,  0.02)
171:     angle   ( 13.594,  -7.458,  -3.603)  ( 13.596,  -7.457,  -3.603)  ( 0.02,  0.01,  0.01)
171:     torsion (  0.415,  -1.567,   4.535)  (  0.415,  -1.567,   4.536)  ( 0.00,  0.01,  0.03)
171:     oop     (  0.038,  -0.140,   0.405)  (  0.038,  -0.140,   0.406)  ( 0.00,  0.00,  0.00)
171:     vdw     (-17.930,   8.881,  -5.857)  (-17.930,   8.881,  -5.856)  ( 0.00,  0.00,  0.00)
171:     electro (  1.275,  -0.541,   1.656)  (  1.275,  -0.541,   1.656)  ( 0.00,  0.00,  0.00)
171: 38       (  9.311,   1.352,  -6.637)  (  9.316,   1.363,  -6.634)  ( 0.06,  0.81,  0.04)
171:     bond    (  1.512,  -2.888,  -1.076)  (  1.515,  -2.878,  -1.074)  ( 0.19,  0.35,  0.13)
171:     angle   ( 10.740,   5.305,   0.937)  ( 10.743,   5.306,   0.937)  ( 0.03,  0.01,  0.00)
171:     torsion ( -0.305,   1.578,  -4.657)  ( -0.305,   1.578,  -4.656)  ( 0.00,  0.01,  0.03)
171:     oop     ( -0.137,   0.409,  -1.289)  ( -0.137,   0.409,  -1.289)  ( 0.00,  0.00,  0.01)
171:     vdw     ( -1.519,  -2.932,  -0.753)  ( -1.519,  -2.932,  -0.753)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.980,  -0.120,   0.202)  ( -0.980,  -0.120,   0.202)  ( 0.00,  0.00,  0.00)
171: 39       (  1.298,  -0.194,  -7.079)  (  1.305,  -0.183,  -7.077)  ( 0.51,  0.21,  0.03)
171:     bond    ( -0.224,  -0.345,  -0.086)  ( -0.220,  -0.335,  -0.086)  ( 0.09,  0.33,  0.01)
171:     angle   (  2.452,  -1.417,  -0.765)  (  2.455,  -1.417,  -0.765)  ( 0.10,  0.06,  0.02)
171:     torsion ( -0.666,   1.960,  -5.949)  ( -0.666,   1.960,  -5.948)  ( 0.00,  0.01,  0.02)
171:     oop     ( -0.029,   0.088,  -0.271)  ( -0.029,   0.088,  -0.271)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.201,  -0.365,  -0.080)  ( -0.201,  -0.365,  -0.080)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.034,  -0.115,   0.073)  ( -0.034,  -0.115,   0.073)  ( 0.00,  0.00,  0.00)
171: 40       (-27.304,  17.741, -19.481)  (-27.298,  17.750, -19.474)  ( 0.02,  0.05,  0.04)
171:     bond    ( -4.047,   6.668,   5.962)  ( -4.044,   6.676,   5.968)  ( 0.07,  0.12,  0.11)
171:     angle   (-32.259,  -8.720, -12.106)  (-32.256,  -8.719, -12.106)  ( 0.01,  0.00,  0.00)
171:     torsion (  6.889,  17.653, -15.079)  (  6.889,  17.653, -15.078)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.215,  -0.181,   0.385)  (  0.215,  -0.181,   0.385)  ( 0.00,  0.00,  0.00)
171:     electro (  1.899,   2.322,   1.356)  (  1.899,   2.322,   1.356)  ( 0.00,  0.00,  0.00)
171: 41       (-10.604, -14.059,  10.085)  (-10.592, -14.053,  10.085)  ( 0.11,  0.05,  0.01)
171:     bond    ( 13.925,  -8.026,   2.285)  ( 13.936,  -8.022,   2.285)  ( 0.08,  0.04,  0.01)
171:     angle   ( -0.807,  -1.358,   0.155)  ( -0.806,  -1.357,   0.156)  ( 0.04,  0.10,  0.00)
171:     torsion (  0.151,  -0.329,  -2.076)  (  0.151,  -0.329,  -2.076)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-22.770,  -3.334,   8.228)  (-22.769,  -3.333,   8.228)  ( 0.00,  0.04,  0.00)
171:     electro ( -1.103,  -1.013,   1.492)  ( -1.103,  -1.013,   1.492)  ( 0.00,  0.00,  0.00)
171: 42       (  0.370,   6.728,  -6.496)  (  0.381,   6.735,  -6.494)  ( 0.40,  0.11,  0.03)
171:     bond    (-12.221,   8.165,   2.759)  (-12.211,   8.170,   2.760)  ( 0.08,  0.05,  0.02)
171:     angle   ( 12.308,  18.327,   0.205)  ( 12.309,  18.329,   0.205)  ( 0.01,  0.01,  0.00)
171:     torsion ( -2.872,   2.247, -19.362)  ( -2.872,   2.247, -19.361)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.023,   0.017,  -0.155)  ( -0.023,   0.017,  -0.154)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.920, -22.664,   8.579)  (  3.920, -22.664,   8.579)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.741,   0.636,   1.477)  ( -0.741,   0.636,   1.477)  ( 0.00,  0.00,  0.00)
171: 43       ( -2.306,   1.427,   5.607)  ( -2.294,   1.432,   5.609)  ( 0.55,  0.36,  0.03)
171:     bond    ( -0.821,  -0.350,   0.047)  ( -0.809,  -0.347,   0.047)  ( 1.00,  0.08,  0.00)
171:     angle   ( -1.083,   2.567,   0.368)  ( -1.083,   2.570,   0.368)  ( 0.05,  0.11,  0.00)
171:     torsion (  0.510,  -0.522,   4.938)  (  0.510,  -0.522,   4.939)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.007,   0.007,  -0.067)  ( -0.007,   0.007,  -0.067)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.522,  -0.099,  -0.057)  ( -0.522,  -0.099,  -0.057)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.384,  -0.177,   0.379)  ( -0.384,  -0.177,   0.379)  ( 0.00,  0.00,  0.00)
171: 44       ( -5.986,  -2.975,   2.681)  ( -5.983,  -2.961,   2.682)  ( 0.06,  0.48,  0.06)
171:     bond    ( -0.296,  -2.388,  -0.213)  ( -0.295,  -2.374,  -0.213)  ( 0.01,  0.59,  0.00)
171:     angle   ( -5.715,   0.653,   0.641)  ( -5.711,   0.653,   0.641)  ( 0.06,  0.00,  0.00)
171:     torsion (  0.220,  -0.241,   2.378)  (  0.220,  -0.241,   2.380)  ( 0.00,  0.00,  0.06)
171:     oop     ( -0.015,   0.016,  -0.163)  ( -0.015,   0.016,  -0.163)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.067,  -0.429,  -0.052)  ( -0.067,  -0.429,  -0.052)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.113,  -0.587,   0.089)  ( -0.113,  -0.587,   0.089)  ( 0.00,  0.00,  0.00)
171: 45       ( -4.994,  -6.103,  -3.487)  ( -4.984,  -6.096,  -3.486)  ( 0.21,  0.12,  0.05)
171:     bond    ( -0.789,   0.563,   0.120)  ( -0.780,   0.568,   0.120)  ( 0.73,  0.28,  0.00)
171:     angle   ( -4.396,  -6.013,  -0.114)  ( -4.395,  -6.011,  -0.114)  ( 0.03,  0.04,  0.00)
171:     torsion ( -0.359,   0.325,  -3.865)  ( -0.359,   0.325,  -3.864)  ( 0.00,  0.00,  0.04)
171:     oop     (  0.031,  -0.024,   0.318)  (  0.031,  -0.024,   0.318)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.303,  -0.582,  -0.053)  (  0.303,  -0.582,  -0.053)  ( 0.00,  0.00,  0.00)
171:     electro (  0.216,  -0.371,   0.107)  (  0.216,  -0.371,   0.107)  ( 0.00,  0.00,  0.00)
171: 46       ( -7.361,  -5.194,  -4.599)  ( -7.348,  -5.189,  -4.597)  ( 0.18,  0.11,  0.03)
171:     bond    (  2.238,   0.795,  -0.211)  (  2.250,   0.797,  -0.210)  ( 0.57,  0.13,  0.00)
171:     angle   (-10.695,  31.175,   3.704)  (-10.695,  31.178,   3.704)  ( 0.00,  0.01,  0.00)
171:     torsion ( -0.176,   0.042,  -1.728)  ( -0.176,   0.042,  -1.727)  ( 0.00,  0.00,  0.08)
171:     oop     (  0.041,  -0.027,   0.336)  (  0.041,  -0.027,   0.336)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.682, -36.672,  -6.719)  (  1.682, -36.671,  -6.719)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.450,  -0.507,   0.018)  ( -0.450,  -0.507,   0.018)  ( 0.00,  0.00,  0.00)
171: 47       (  4.005,  15.631,  18.729)  (  4.010,  15.635,  18.741)  ( 0.12,  0.02,  0.06)
171:     bond    (  9.903,   3.121,  20.511)  (  9.906,   3.121,  20.522)  ( 0.03,  0.01,  0.05)
171:     angle   ( -5.970,  10.337,   1.308)  ( -5.968,  10.340,   1.308)  ( 0.03,  0.03,  0.04)
171:     torsion (  0.647,   3.917,  -0.908)  (  0.647,   3.917,  -0.908)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.318,  -1.545,  -2.238)  ( -0.318,  -1.545,  -2.238)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.257,  -0.199,   0.056)  ( -0.257,  -0.199,   0.056)  ( 0.00,  0.00,  0.00)
171: 48       (  9.842,  10.206,  -5.039)  (  9.854,  10.212,  -5.036)  ( 0.12,  0.05,  0.05)
171:     bond    ( -2.986,  -1.468,  -0.385)  ( -2.974,  -1.465,  -0.385)  ( 0.38,  0.18,  0.01)
171:     angle   ( 10.696, -22.969,   4.762)  ( 10.696, -22.967,   4.764)  ( 0.00,  0.01,  0.05)
171:     torsion (  1.009,  -2.897,   3.227)  (  1.009,  -2.897,   3.227)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.209,  38.024, -13.364)  (  1.209,  38.025, -13.364)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.087,  -0.483,   0.722)  ( -0.087,  -0.483,   0.722)  ( 0.00,  0.00,  0.00)
171: 49       (  4.853,  -4.015,  -5.505)  (  4.856,  -4.013,  -5.491)  ( 0.07,  0.05,  0.24)
171:     bond    ( -1.510,   0.203,  -5.553)  ( -1.509,   0.203,  -5.539)  ( 0.07,  0.00,  0.24)
171:     angle   (  5.932,  -9.411,  -1.962)  (  5.934,  -9.409,  -1.962)  ( 0.04,  0.02,  0.01)
171:     torsion (  1.808,   3.507,  -0.364)  (  1.808,   3.507,  -0.364)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.168,   2.278,   2.124)  ( -1.168,   2.278,   2.124)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.210,  -0.592,   0.251)  ( -0.210,  -0.592,   0.251)  ( 0.00,  0.00,  0.00)
171: 50       (  6.321, -10.163,   5.748)  (  6.324, -10.150,   5.751)  ( 0.05,  0.13,  0.05)
171:     bond    (  2.117, -12.995,   3.296)  (  2.118, -12.982,   3.297)  ( 0.02,  0.10,  0.03)
171:     angle   ( 23.690,   2.886,  -3.858)  ( 23.692,   2.886,  -3.856)  ( 0.01,  0.01,  0.06)
171:     torsion ( -2.667,  -1.040,  -2.383)  ( -2.667,  -1.040,  -2.383)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-16.674,   1.224,   8.402)  (-16.674,   1.224,   8.402)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.144,  -0.238,   0.291)  ( -0.144,  -0.238,   0.291)  ( 0.00,  0.00,  0.00)
171: 51       (-11.159,   0.824,   1.383)  (-11.152,   0.828,   1.391)  ( 0.07,  0.31,  0.61)
171:     bond    (  1.143,  -0.477,  -1.327)  (  1.148,  -0.476,  -1.320)  ( 0.50,  0.05,  0.56)
171:     angle   (  5.083, -23.043,  12.744)  (  5.085, -23.041,  12.745)  ( 0.03,  0.01,  0.01)
171:     torsion (  1.056,  -0.829,   1.218)  (  1.056,  -0.829,   1.218)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-18.079,  25.401, -11.494)  (-18.079,  25.401, -11.494)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.361,  -0.226,   0.242)  ( -0.361,  -0.226,   0.242)  ( 0.00,  0.00,  0.00)
171: 52       (  1.887, -12.873,   2.635)  (  1.891, -12.862,   2.638)  ( 0.25,  0.09,  0.13)
171:     bond    (  5.865, -12.571,   4.407)  (  5.867, -12.561,   4.409)  ( 0.04,  0.08,  0.03)
171:     angle   (-16.261,  -5.126,   7.034)  (-16.259,  -5.126,   7.035)  ( 0.01,  0.01,  0.03)
171:     torsion (  0.084,  -0.277,  -0.902)  (  0.084,  -0.277,  -0.902)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 12.154,   5.201,  -8.000)  ( 12.154,   5.201,  -7.999)  ( 0.00,  0.00,  0.00)
171:     electro (  0.045,  -0.099,   0.095)  (  0.045,  -0.099,   0.095)  ( 0.00,  0.00,  0.00)
171: 53       ( -4.015,  -6.216,  -4.357)  ( -4.010,  -6.213,  -4.346)  ( 0.14,  0.05,  0.25)
171:     bond    ( -2.836,  -1.117,  -4.722)  ( -2.832,  -1.116,  -4.712)  ( 0.13,  0.05,  0.21)
171:     angle   (  3.989, -18.137,   1.897)  (  3.991, -18.135,   1.898)  ( 0.04,  0.01,  0.04)
171:     torsion ( -0.395,   0.435,   0.134)  ( -0.395,   0.435,   0.134)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.529,  12.962,  -1.841)  ( -4.529,  12.962,  -1.841)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.244,  -0.358,   0.175)  ( -0.244,  -0.358,   0.175)  ( 0.00,  0.00,  0.00)
171: 54       ( 22.763,   4.803,  12.149)  ( 22.766,   4.808,  12.161)  ( 0.01,  0.10,  0.10)
171:     bond    (  0.180,   1.829,  -4.169)  (  0.180,   1.831,  -4.157)  ( 0.00,  0.12,  0.28)
171:     angle   (  0.722,  24.102,  10.649)  (  0.724,  24.104,  10.649)  ( 0.19,  0.01,  0.00)
171:     torsion (  0.581,   0.985,   0.459)  (  0.581,   0.985,   0.459)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 21.197, -22.786,   4.730)  ( 21.197, -22.785,   4.730)  ( 0.00,  0.00,  0.00)
171:     electro (  0.083,   0.673,   0.480)  (  0.083,   0.673,   0.480)  ( 0.00,  0.00,  0.00)
171: 55       ( 21.127,   4.033,  -4.874)  ( 21.130,   4.041,  -4.866)  ( 0.01,  0.21,  0.16)
171:     bond    (  0.015,  -0.237,  -0.235)  (  0.015,  -0.230,  -0.228)  ( 0.00,  0.17,  0.16)
171:     angle   ( 17.782,  11.471, -10.444)  ( 17.784,  11.472, -10.444)  ( 0.01,  0.01,  0.01)
171:     torsion ( -0.521,  -0.663,   0.636)  ( -0.521,  -0.663,   0.636)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.327,  -6.987,   3.715)  (  2.327,  -6.987,   3.715)  ( 0.01,  0.00,  0.00)
171:     electro (  1.525,   0.449,   1.454)  (  1.525,   0.449,   1.454)  ( 0.00,  0.00,  0.00)
171: 56       (  3.908,   1.796, -13.266)  (  3.911,   1.802, -13.254)  ( 0.08,  0.30,  0.09)
171:     bond    (  0.874,   8.800, -15.941)  (  0.874,   8.804, -15.930)  ( 0.01,  0.04,  0.07)
171:     angle   ( -5.575,  -7.591,  -4.500)  ( -5.572,  -7.589,  -4.500)  ( 0.04,  0.02,  0.01)
171:     torsion (  1.423,  -0.373,  -0.128)  (  1.423,  -0.373,  -0.128)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  7.032,   0.080,   6.647)  (  7.033,   0.080,   6.647)  ( 0.01,  0.00,  0.00)
171:     electro (  0.153,   0.879,   0.657)  (  0.153,   0.879,   0.657)  ( 0.00,  0.00,  0.00)
171: 57       ( -0.993,   9.172,   6.879)  ( -0.990,   9.180,   6.888)  ( 0.32,  0.09,  0.12)
171:     bond    ( -0.691,  10.301,  11.010)  ( -0.691,  10.308,  11.018)  ( 0.01,  0.06,  0.07)
171:     angle   (  1.902,  -2.517,   2.472)  (  1.905,  -2.516,   2.473)  ( 0.13,  0.04,  0.04)
171:     torsion ( -1.228,   1.073,  -1.081)  ( -1.228,   1.073,  -1.081)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.546,   0.031,  -5.692)  ( -0.545,   0.031,  -5.692)  ( 0.03,  0.00,  0.00)
171:     electro ( -0.430,   0.284,   0.170)  ( -0.430,   0.284,   0.170)  ( 0.00,  0.00,  0.00)
171: 58       ( -3.180, -10.598,   1.768)  ( -3.177, -10.591,   1.778)  ( 0.08,  0.07,  0.56)
171:     bond    ( -0.166,  -6.219,   7.992)  ( -0.166,  -6.213,   8.001)  ( 0.00,  0.09,  0.11)
171:     angle   ( -4.819,  -4.069,  -3.260)  ( -4.816,  -4.067,  -3.259)  ( 0.05,  0.04,  0.03)
171:     torsion (  1.374,  -1.374,  -1.038)  (  1.374,  -1.374,  -1.038)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.903,   1.531,  -0.692)  (  0.903,   1.531,  -0.692)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.471,  -0.467,  -1.234)  ( -0.471,  -0.467,  -1.234)  ( 0.00,  0.00,  0.00)
171: 59       ( -1.672,  -1.065, -14.649)  ( -1.669,  -1.057, -14.640)  ( 0.19,  0.73,  0.06)
171:     bond    (  1.255,  11.287, -12.325)  (  1.255,  11.294, -12.318)  ( 0.01,  0.06,  0.06)
171:     angle   ( -0.945,   0.841,   0.675)  ( -0.942,   0.842,   0.676)  ( 0.24,  0.09,  0.06)
171:     torsion (  2.095,  -1.868,  -1.500)  (  2.095,  -1.868,  -1.500)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.139, -11.853,  -2.429)  ( -4.138, -11.853,  -2.428)  ( 0.01,  0.00,  0.00)
171:     electro (  0.062,   0.529,   0.929)  (  0.062,   0.529,   0.929)  ( 0.00,  0.00,  0.00)
171: 60       (  4.180,   0.851,  15.801)  (  4.183,   0.856,  15.812)  ( 0.08,  0.44,  0.07)
171:     bond    (  1.295,   8.702,  15.115)  (  1.295,   8.705,  15.125)  ( 0.01,  0.04,  0.07)
171:     angle   ( 15.182,  -5.824,   2.050)  ( 15.184,  -5.823,   2.051)  ( 0.02,  0.03,  0.02)
171:     torsion ( -1.577,   2.708,  -1.424)  ( -1.577,   2.708,  -1.424)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-10.178,  -4.507,  -0.246)  (-10.177,  -4.507,  -0.246)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.543,  -0.228,   0.305)  ( -0.543,  -0.228,   0.305)  ( 0.00,  0.00,  0.00)
171: 61       ( -3.607, -11.430, -21.611)  ( -3.604, -11.416, -21.608)  ( 0.08,  0.11,  0.02)
171:     bond    (  0.549,  -8.292,   2.402)  (  0.549,  -8.280,   2.403)  ( 0.01,  0.16,  0.05)
171:     angle   ( -2.924,  -5.064, -16.780)  ( -2.921,  -5.064, -16.778)  ( 0.08,  0.00,  0.01)
171:     torsion ( -0.304,  -2.407,  -8.223)  ( -0.304,  -2.407,  -8.223)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.536,   3.527,   1.222)  ( -1.536,   3.527,   1.222)  ( 0.02,  0.00,  0.00)
171:     electro (  0.607,   0.806,  -0.231)  (  0.607,   0.806,  -0.231)  ( 0.00,  0.00,  0.00)
171: 62       (-13.552,   3.271,  -1.933)  (-13.548,   3.282,  -1.929)  ( 0.02,  0.35,  0.23)
171:     bond    ( -3.163,  10.307,  -4.939)  ( -3.162,  10.318,  -4.937)  ( 0.03,  0.10,  0.05)
171:     angle   ( -7.456,   1.314,   7.520)  ( -7.454,   1.314,   7.522)  ( 0.03,  0.04,  0.03)
171:     torsion ( -2.471,  -0.439,   0.665)  ( -2.471,  -0.439,   0.665)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.193,  -8.816,  -5.036)  ( -1.193,  -8.816,  -5.036)  ( 0.01,  0.00,  0.00)
171:     electro (  0.732,   0.904,  -0.144)  (  0.732,   0.904,  -0.144)  ( 0.00,  0.00,  0.00)
171: 63       ( -1.642,   0.072,   7.768)  ( -1.638,   0.075,   7.781)  ( 0.26,  0.02,  0.16)
171:     bond    (  3.501,   1.811,   9.381)  (  3.502,   1.811,   9.393)  ( 0.05,  0.03,  0.13)
171:     angle   (-11.516,   2.354,   3.839)  (-11.514,   2.356,   3.839)  ( 0.02,  0.09,  0.01)
171:     torsion (  1.522,   1.177,  -0.795)  (  1.522,   1.177,  -0.795)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.241,  -6.128,  -4.764)  (  3.241,  -6.128,  -4.764)  ( 0.01,  0.00,  0.00)
171:     electro (  1.610,   0.859,   0.107)  (  1.610,   0.859,   0.107)  ( 0.00,  0.00,  0.00)
171: 64       (  3.493,   9.960,   4.207)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
171:     bond    (  0.723,   7.398,  -1.973)  (  0.723,   7.412,  -1.972)  ( 0.01,  0.19,  0.05)
171:     angle   ( -0.023,   0.127,   0.468)  ( -0.023,   0.127,   0.470)  ( 0.00,  0.00,  0.09)
171:     torsion (  1.495,  -0.118,   0.105)  (  1.495,  -0.118,   0.105)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
171:     electro (  1.298,   2.553,   5.608)  (  1.298,   2.553,   5.608)  ( 0.00,  0.00,  0.00)
171: 65       (-32.705,   0.634,  27.276)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
171:     bond    (-43.371,  -7.007,   0.973)  (-43.356,  -7.006,   0.974)  ( 0.03,  0.01,  0.02)
171:     angle   (  0.668,  -1.382,  19.777)  (  0.668,  -1.382,  19.779)  ( 0.00,  0.00,  0.01)
171:     torsion ( -0.829,   5.186,   0.390)  ( -0.829,   5.186,   0.390)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
171:     electro ( 10.828,   3.837,   6.135)  ( 10.828,   3.837,   6.135)  ( 0.00,  0.00,  0.00)
171: ok 14 # gradients 
171: ok 15 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (-26.341, 179.695,  84.974)  (-26.307, 179.722,  84.987)  ( 0.13,  0.02,  0.02)
171:     bond    (-80.184,  67.240,  27.668)  (-80.158,  67.259,  27.676)  ( 0.03,  0.03,  0.03)
171:     angle   ( 50.759, 104.743,  70.672)  ( 50.767, 104.749,  70.675)  ( 0.02,  0.01,  0.00)
171:     torsion (  2.429,   7.968, -13.505)  (  2.429,   7.969, -13.502)  ( 0.00,  0.01,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.643,  -0.252,   0.142)  (  0.643,  -0.252,   0.142)  ( 0.00,  0.00,  0.00)
171:     electro (  0.012,  -0.003,  -0.004)  (  0.012,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
171:  2       (-221.600, -93.476, -82.982)  (-221.567, -93.449, -82.969)  ( 0.02,  0.03,  0.02)
171:     bond    (-162.222, -46.795, -64.231)  (-162.197, -46.775, -64.224)  ( 0.02,  0.04,  0.01)
171:     angle   (-55.886, -36.407, -31.703)  (-55.878, -36.401, -31.700)  ( 0.01,  0.02,  0.01)
171:     torsion ( -3.084,  -8.383,  14.257)  ( -3.084,  -8.381,  14.262)  ( 0.01,  0.02,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.426,  -1.691,  -1.215)  ( -0.426,  -1.691,  -1.215)  ( 0.00,  0.00,  0.00)
171:     electro (  0.018,  -0.201,  -0.091)  (  0.018,  -0.201,  -0.091)  ( 0.00,  0.00,  0.00)
171:  3       (733.756, -926.168, -450.739)  (733.785, -926.141, -450.725)  ( 0.00,  0.00,  0.00)
171:     bond    (715.451, -934.338, -440.862)  (715.477, -934.316, -440.850)  ( 0.00,  0.00,  0.00)
171:     angle   ( 16.605,  -5.824,  12.516)  ( 16.607,  -5.819,  12.517)  ( 0.02,  0.08,  0.01)
171:     torsion (  4.699,  13.992, -22.724)  (  4.699,  13.993, -22.722)  ( 0.00,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.952,   0.158,   0.563)  ( -2.951,   0.158,   0.563)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.047,  -0.157,  -0.233)  ( -0.047,  -0.157,  -0.233)  ( 0.00,  0.00,  0.00)
171:  4       (-544.374, 1014.483, 533.741)  (-544.344, 1014.503, 533.751)  ( 0.01,  0.00,  0.00)
171:     bond    (-540.835, 1016.531, 533.608)  (-540.805, 1016.551, 533.618)  ( 0.01,  0.00,  0.00)
171:     angle   ( -0.021,  -0.029,  -0.009)  ( -0.021,  -0.029,  -0.009)  ( 0.00,  0.00,  0.00)
171:     torsion ( -1.023,  -3.191,   1.716)  ( -1.023,  -3.190,   1.716)  ( 0.01,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.669,   1.628,  -1.464)  ( -1.669,   1.628,  -1.463)  ( 0.00,  0.01,  0.00)
171:     electro ( -0.826,  -0.456,  -0.110)  ( -0.826,  -0.456,  -0.110)  ( 0.00,  0.00,  0.00)
171:  5       (-93.744, -300.514, -176.809)  (-93.716, -300.491, -176.798)  ( 0.03,  0.01,  0.01)
171:     bond    (  6.436, -205.333, -129.111)  (  6.461, -205.313, -129.103)  ( 0.38,  0.01,  0.01)
171:     angle   (-90.395, -87.897, -67.119)  (-90.392, -87.894, -67.117)  ( 0.00,  0.00,  0.00)
171:     torsion ( -3.711, -12.855,  20.305)  ( -3.711, -12.855,  20.306)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.999,   3.743,  -2.154)  ( -4.999,   3.743,  -2.154)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.075,   1.829,   1.270)  ( -1.075,   1.828,   1.270)  ( 0.00,  0.00,  0.00)
171:  6       (488.052, -1161.301, 137.157)  (488.083, -1161.275, 137.161)  ( 0.01,  0.00,  0.00)
171:     bond    (484.183, -1164.859, 131.653)  (484.214, -1164.833, 131.657)  ( 0.01,  0.00,  0.00)
171:     angle   (  0.022,   0.028,   0.008)  (  0.022,   0.028,   0.008)  ( 0.00,  0.00,  0.00)
171:     torsion (  1.048,   3.836,   6.817)  (  1.048,   3.836,   6.818)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.975,  -0.747,  -1.547)  (  1.975,  -0.747,  -1.547)  ( 0.00,  0.01,  0.00)
171:     electro (  0.824,   0.441,   0.225)  (  0.824,   0.441,   0.225)  ( 0.00,  0.00,  0.00)
171:  7       (120.329, 342.533, -45.999)  (120.358, 342.564, -45.996)  ( 0.02,  0.01,  0.01)
171:     bond    (  8.785, 239.921, -25.604)  (  8.810, 239.948, -25.604)  ( 0.29,  0.01,  0.00)
171:     angle   (105.569, 108.819, -18.888)  (105.572, 108.823, -18.887)  ( 0.00,  0.00,  0.00)
171:     torsion ( -0.854,  -1.117,   0.334)  ( -0.854,  -1.116,   0.336)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.877,  -2.849,  -2.436)  (  5.877,  -2.848,  -2.436)  ( 0.00,  0.00,  0.00)
171:     electro (  0.952,  -2.242,   0.595)  (  0.952,  -2.242,   0.595)  ( 0.00,  0.00,  0.00)
171:  8       (  9.605, -199.227,  26.960)  (  9.640, -199.192,  26.965)  ( 0.37,  0.02,  0.02)
171:     bond    ( 76.676, -75.909,   3.494)  ( 76.703, -75.882,   3.494)  ( 0.04,  0.04,  0.00)
171:     angle   (-66.537, -124.364,  14.394)  (-66.528, -124.356,  14.394)  ( 0.01,  0.01,  0.00)
171:     torsion (  0.153,   0.851,   8.951)  (  0.153,   0.851,   8.955)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.677,   0.189,   0.125)  ( -0.677,   0.189,   0.125)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.011,   0.005,  -0.004)  ( -0.011,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
171:  9       (234.083, 110.808,  -5.687)  (234.117, 110.843,  -5.681)  ( 0.01,  0.03,  0.09)
171:     bond    (168.822,  63.419, -12.849)  (168.848,  63.446, -12.850)  ( 0.02,  0.04,  0.00)
171:     angle   ( 64.031,  43.820,  -7.539)  ( 64.039,  43.829,  -7.540)  ( 0.01,  0.02,  0.00)
171:     torsion (  0.607,   1.401,  15.070)  (  0.607,   1.401,  15.076)  ( 0.00,  0.00,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.642,   1.953,  -0.380)  (  0.642,   1.953,  -0.380)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.018,   0.214,   0.012)  ( -0.018,   0.214,   0.012)  ( 0.00,  0.00,  0.00)
171: 10       (-703.642, 1063.270, -121.206)  (-703.612, 1063.304, -121.199)  ( 0.00,  0.00,  0.01)
171:     bond    (-668.979, 1057.194, -118.164)  (-668.952, 1057.223, -118.160)  ( 0.00,  0.00,  0.00)
171:     angle   (-36.514,   9.643,  24.582)  (-36.512,   9.649,  24.582)  ( 0.01,  0.06,  0.00)
171:     torsion ( -0.835,  -3.339, -28.417)  ( -0.835,  -3.339, -28.415)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.621,  -0.462,   0.922)  (  2.621,  -0.462,   0.922)  ( 0.00,  0.00,  0.00)
171:     electro (  0.065,   0.232,  -0.128)  (  0.065,   0.232,  -0.128)  ( 0.00,  0.00,  0.00)
171: 11       (-92.037, -219.425,  15.503)  (-92.011, -219.395,  15.528)  ( 0.03,  0.01,  0.16)
171:     bond    (-44.807, -79.240,   7.516)  (-44.789, -79.219,   7.535)  ( 0.04,  0.03,  0.25)
171:     angle   (-49.035, -135.591,   4.959)  (-49.028, -135.582,   4.965)  ( 0.02,  0.01,  0.11)
171:     torsion (  0.089,   0.165,   2.005)  (  0.089,   0.165,   2.006)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.297,  -4.237,   1.078)  (  1.297,  -4.237,   1.078)  ( 0.01,  0.00,  0.00)
171:     electro (  0.420,  -0.522,  -0.056)  (  0.420,  -0.522,  -0.056)  ( 0.00,  0.00,  0.00)
171: 12       ( -8.510,  24.281,  -8.300)  ( -8.498,  24.288,  -8.299)  ( 0.14,  0.03,  0.01)
171:     bond    (  3.190,   1.811,  -0.170)  (  3.201,   1.815,  -0.170)  ( 0.35,  0.20,  0.00)
171:     angle   (-13.096,  23.042,  -0.548)  (-13.096,  23.044,  -0.548)  ( 0.01,  0.01,  0.01)
171:     torsion ( -0.096,  -0.535,  -7.539)  ( -0.096,  -0.535,  -7.538)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.157,   0.114,   0.005)  ( -0.157,   0.114,   0.005)  ( 0.00,  0.00,  0.00)
171:     electro (  1.650,  -0.151,  -0.048)  (  1.650,  -0.151,  -0.048)  ( 0.00,  0.00,  0.00)
171: 13       (-29.862, -44.197,   2.041)  (-29.853, -44.188,   2.043)  ( 0.03,  0.02,  0.08)
171:     bond    (  5.580,  -5.166,   0.418)  (  5.588,  -5.160,   0.418)  ( 0.14,  0.13,  0.00)
171:     angle   (-36.346, -38.897,   5.727)  (-36.345, -38.895,   5.727)  ( 0.00,  0.01,  0.00)
171:     torsion ( -0.092,  -0.424,  -4.005)  ( -0.092,  -0.424,  -4.003)  ( 0.00,  0.00,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.083,   0.130,  -0.072)  (  1.083,   0.130,  -0.072)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.087,   0.160,  -0.027)  ( -0.087,   0.160,  -0.027)  ( 0.00,  0.00,  0.00)
171: 14       ( 94.864, 200.588, 114.433)  ( 94.890, 200.617, 114.459)  ( 0.03,  0.01,  0.02)
171:     bond    ( 41.007,  67.471,  46.997)  ( 41.024,  67.492,  47.016)  ( 0.04,  0.03,  0.04)
171:     angle   ( 56.551, 129.171,  64.070)  ( 56.559, 129.179,  64.077)  ( 0.01,  0.01,  0.01)
171:     torsion ( -0.117,  -0.306,   0.514)  ( -0.117,  -0.306,   0.514)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.106,   3.726,   2.744)  ( -2.106,   3.726,   2.744)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.472,   0.526,   0.108)  ( -0.472,   0.526,   0.108)  ( 0.00,  0.00,  0.00)
171: 15       ( 11.332, -23.890, -12.754)  ( 11.343, -23.885, -12.750)  ( 0.10,  0.02,  0.03)
171:     bond    ( -2.993,  -1.390,  -1.422)  ( -2.983,  -1.388,  -1.420)  ( 0.34,  0.16,  0.16)
171:     angle   ( 15.978, -21.946, -12.114)  ( 15.979, -21.944, -12.114)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.194,  -0.653,   1.044)  ( -0.194,  -0.652,   1.045)  ( 0.00,  0.02,  0.09)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.155,  -0.116,  -0.022)  (  0.155,  -0.116,  -0.022)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.614,   0.215,  -0.241)  ( -1.614,   0.215,  -0.241)  ( 0.00,  0.00,  0.00)
171: 16       ( 26.763,  36.848,  27.200)  ( 26.773,  36.856,  27.202)  ( 0.04,  0.02,  0.01)
171:     bond    ( -5.931,   4.794,   1.716)  ( -5.922,   4.800,   1.717)  ( 0.14,  0.11,  0.04)
171:     angle   ( 33.396,  31.558,  26.977)  ( 33.398,  31.559,  26.977)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.258,   0.709,  -1.097)  (  0.258,   0.710,  -1.095)  ( 0.00,  0.03,  0.11)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.068,  -0.086,  -0.304)  ( -1.068,  -0.086,  -0.304)  ( 0.00,  0.00,  0.00)
171:     electro (  0.107,  -0.127,  -0.093)  (  0.107,  -0.127,  -0.093)  ( 0.00,  0.00,  0.00)
171: 17       ( 39.771, 101.216,  64.066)  ( 39.773, 101.229,  64.071)  ( 0.01,  0.01,  0.01)
171:     bond    (-11.976,  98.669,  56.715)  (-11.975,  98.681,  56.720)  ( 0.01,  0.01,  0.01)
171:     angle   ( 48.261,   1.230,   8.049)  ( 48.263,   1.230,   8.049)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.146,   0.573,  -0.966)  (  0.146,   0.573,  -0.965)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.339,   0.040,   0.283)  (  0.339,   0.040,   0.283)  ( 0.00,  0.00,  0.00)
171:     electro (  3.000,   0.705,  -0.016)  (  3.000,   0.705,  -0.016)  ( 0.00,  0.00,  0.00)
171: 18       (-53.140, -113.275,  31.092)  (-53.138, -113.259,  31.093)  ( 0.00,  0.01,  0.00)
171:     bond    (  4.991, -112.248,  19.822)  (  4.991, -112.231,  19.823)  ( 0.01,  0.01,  0.01)
171:     angle   (-55.366,  -1.628,   4.725)  (-55.364,  -1.628,   4.725)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.578,   1.299,   7.208)  (  0.578,   1.299,   7.209)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.375,  -0.137,   0.175)  ( -0.375,  -0.137,   0.175)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.967,  -0.562,  -0.839)  ( -2.967,  -0.562,  -0.839)  ( 0.00,  0.00,  0.00)
171: 19       (-37.239, -77.614, -48.643)  (-37.232, -77.608, -48.638)  ( 0.02,  0.01,  0.01)
171:     bond    ( 30.052, -29.778, -24.026)  ( 30.058, -29.773, -24.023)  ( 0.02,  0.02,  0.02)
171:     angle   (-68.561, -48.606, -25.545)  (-68.559, -48.605, -25.544)  ( 0.00,  0.00,  0.00)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.009,   1.029,   1.006)  (  1.009,   1.029,   1.006)  ( 0.00,  0.00,  0.00)
171:     electro (  0.260,  -0.259,  -0.078)  (  0.260,  -0.259,  -0.078)  ( 0.00,  0.00,  0.00)
171: 20       (-37.541, -23.181, -49.158)  (-37.534, -23.177, -49.150)  ( 0.02,  0.02,  0.02)
171:     bond    (-33.425,  15.800, -36.942)  (-33.419,  15.801, -36.934)  ( 0.02,  0.01,  0.02)
171:     angle   ( -4.258, -39.416, -13.011)  ( -4.257, -39.414, -13.010)  ( 0.02,  0.01,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.023,   0.938,   1.148)  ( -0.023,   0.938,   1.148)  ( 0.00,  0.00,  0.00)
171:     electro (  0.165,  -0.503,  -0.353)  (  0.165,  -0.503,  -0.353)  ( 0.00,  0.00,  0.00)
171: 21       (-29.750, -59.500,  -4.073)  (-29.744, -59.493,  -4.066)  ( 0.02,  0.01,  0.16)
171:     bond    (-27.296, -32.763,  28.653)  (-27.292, -32.757,  28.657)  ( 0.02,  0.02,  0.02)
171:     angle   ( -2.475, -26.642, -32.810)  ( -2.474, -26.640, -32.808)  ( 0.05,  0.00,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.103,   0.375,   0.081)  (  0.103,   0.375,   0.081)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.081,  -0.470,   0.003)  ( -0.081,  -0.470,   0.003)  ( 0.00,  0.00,  0.00)
171: 22       ( 44.369,  65.787, -26.990)  ( 44.381,  65.790, -26.986)  ( 0.03,  0.00,  0.02)
171:     bond    ( 46.695,   0.174, -23.767)  ( 46.707,   0.175, -23.764)  ( 0.02,  0.00,  0.01)
171:     angle   ( -2.385,  67.344,  -4.194)  ( -2.385,  67.346,  -4.193)  ( 0.02,  0.00,  0.03)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.121,  -2.368,   1.004)  (  0.121,  -2.368,   1.004)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.061,   0.637,  -0.033)  ( -0.061,   0.637,  -0.033)  ( 0.00,  0.00,  0.00)
171: 23       ( 33.513,  33.559,  34.875)  ( 33.516,  33.564,  34.886)  ( 0.01,  0.01,  0.03)
171:     bond    (  9.700,  21.267,  45.550)  (  9.701,  21.270,  45.562)  ( 0.01,  0.01,  0.02)
171:     angle   ( 24.199,  11.941, -10.729)  ( 24.201,  11.943, -10.728)  ( 0.01,  0.02,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.403,  -0.036,  -0.098)  ( -0.403,  -0.036,  -0.098)  ( 0.00,  0.00,  0.00)
171:     electro (  0.017,   0.387,   0.151)  (  0.017,   0.387,   0.151)  ( 0.00,  0.00,  0.00)
171: 24       ( 40.893,  68.265, -38.893)  ( 40.898,  68.273, -38.888)  ( 0.01,  0.01,  0.01)
171:     bond    (-23.294,  33.180, -26.795)  (-23.290,  33.187, -26.791)  ( 0.01,  0.02,  0.02)
171:     angle   ( 65.430,  35.828, -12.500)  ( 65.432,  35.829, -12.499)  ( 0.00,  0.00,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.012,  -1.043,   0.412)  ( -1.012,  -1.043,   0.412)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.231,   0.300,  -0.010)  ( -0.231,   0.300,  -0.010)  ( 0.00,  0.00,  0.00)
171: ok 16 # gradients 
171: ok 17 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (280.385,  79.113, -45.579)  (280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
171:     bond    (269.764,  65.096, -61.045)  (269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
171:     angle   ( -0.386,   0.172,  -0.097)  ( -0.379,   0.180,  -0.092)  ( 0.28,  0.15,  0.05)
171:     torsion ( -0.078,   0.077,   0.128)  ( -0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 11.087,  13.768,  15.435)  ( 11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  2       ( -0.039, 251.973, -153.609)  ( -0.000, 252.014, -153.597)  ( 0.15,  0.02,  0.01)
171:     bond    ( -0.027, 231.339, -164.452)  (  0.000, 231.370, -164.446)  ( 0.07,  0.01,  0.00)
171:     angle   ( -0.010,   0.062,  -0.251)  ( -0.000,   0.070,  -0.248)  ( 0.01,  0.05,  0.09)
171:     torsion ( -0.001,  -0.029,  -0.095)  ( -0.000,  -0.028,  -0.091)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.001,  20.601,  11.189)  (  0.000,  20.601,  11.189)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  3       ( -0.039, -252.054, -153.609)  (  0.000, -252.014, -153.597)  ( 0.15,  0.02,  0.01)
171:     bond    ( -0.027, -231.402, -164.452)  (  0.000, -231.370, -164.446)  ( 0.07,  0.01,  0.00)
171:     angle   ( -0.010,  -0.078,  -0.251)  ( -0.000,  -0.070,  -0.248)  ( 0.01,  0.06,  0.09)
171:     torsion ( -0.001,   0.027,  -0.095)  (  0.000,   0.028,  -0.091)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.001, -20.602,  11.189)  (  0.000, -20.601,  11.189)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  4       (280.385, -79.182, -45.579)  (280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
171:     bond    (269.764, -65.145, -61.045)  (269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
171:     angle   ( -0.386,  -0.189,  -0.097)  ( -0.379,  -0.180,  -0.092)  ( 0.28,  0.16,  0.05)
171:     torsion ( -0.078,  -0.079,   0.128)  ( -0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 11.087, -13.769,  15.435)  ( 11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  5       (-127.758, 175.179, -201.805)  (-127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
171:     bond    (-105.528, 167.839, -204.493)  (-105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
171:     angle   ( -0.037,   0.417,   0.081)  ( -0.030,   0.425,   0.086)  ( 0.03,  0.36,  0.04)
171:     torsion (  0.072,   0.059,  -0.086)  (  0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-22.266,   6.864,   2.694)  (-22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  6       (-127.758, -175.256, -201.805)  (-127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
171:     bond    (-105.528, -167.895, -204.493)  (-105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
171:     angle   ( -0.037,  -0.434,   0.081)  ( -0.030,  -0.425,   0.086)  ( 0.03,  0.38,  0.04)
171:     torsion (  0.072,  -0.062,  -0.086)  (  0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-22.266,  -6.865,   2.694)  (-22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  7       (-280.461,  79.113, -45.579)  (-280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
171:     bond    (-269.822,  65.096, -61.045)  (-269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
171:     angle   (  0.372,   0.172,  -0.097)  (  0.379,   0.180,  -0.092)  ( 0.27,  0.15,  0.05)
171:     torsion (  0.076,   0.077,   0.128)  (  0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-11.087,  13.768,  15.435)  (-11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  8       (-280.461, -79.182, -45.579)  (-280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
171:     bond    (-269.822, -65.145, -61.045)  (-269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
171:     angle   (  0.372,  -0.189,  -0.097)  (  0.379,  -0.180,  -0.092)  ( 0.27,  0.16,  0.05)
171:     torsion (  0.076,  -0.079,   0.128)  (  0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-11.087, -13.769,  15.435)  (-11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:  9       (175.179, 201.756, 127.701)  (175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
171:     bond    (167.839, 204.461, 105.488)  (167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
171:     angle   (  0.417,  -0.092,   0.023)  (  0.425,  -0.086,   0.030)  ( 0.36,  0.05,  0.02)
171:     torsion (  0.059,   0.081,  -0.075)  (  0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.864,  -2.694,  22.265)  (  6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 10       ( 45.542, 280.385,  79.113)  ( 45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
171:     bond    ( 61.024, 269.764,  65.096)  ( 61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
171:     angle   (  0.087,  -0.386,   0.172)  (  0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
171:     torsion ( -0.134,  -0.078,   0.077)  ( -0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-15.435,  11.087,  13.768)  (-15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 11       ( 45.542, -280.461,  79.113)  ( 45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
171:     bond    ( 61.024, -269.822,  65.096)  ( 61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
171:     angle   (  0.087,   0.372,   0.172)  (  0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
171:     torsion ( -0.134,   0.076,   0.077)  ( -0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-15.435, -11.087,  13.768)  (-15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 12       (175.179, -201.805, 127.701)  (175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
171:     bond    (167.839, -204.493, 105.488)  (167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
171:     angle   (  0.417,   0.081,   0.023)  (  0.425,   0.086,   0.030)  ( 0.36,  0.04,  0.02)
171:     torsion (  0.059,  -0.086,  -0.075)  (  0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.864,   2.694,  22.265)  (  6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 13       (201.756, -127.758, -175.256)  (201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
171:     bond    (204.461, -105.528, -167.895)  (204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
171:     angle   ( -0.092,  -0.037,  -0.434)  ( -0.086,  -0.030,  -0.425)  ( 0.05,  0.03,  0.38)
171:     torsion (  0.081,   0.072,  -0.062)  (  0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.694, -22.266,  -6.865)  ( -2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 14       (-79.182,  45.542, -280.461)  (-79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
171:     bond    (-65.145,  61.024, -269.822)  (-65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
171:     angle   ( -0.189,   0.087,   0.372)  ( -0.180,   0.092,   0.379)  ( 0.16,  0.05,  0.27)
171:     torsion ( -0.079,  -0.134,   0.076)  ( -0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-13.769, -15.435, -11.087)  (-13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 15       (201.756, -127.758, 175.179)  (201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
171:     bond    (204.461, -105.528, 167.839)  (204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
171:     angle   ( -0.092,  -0.037,   0.417)  ( -0.086,  -0.030,   0.425)  ( 0.05,  0.03,  0.36)
171:     torsion (  0.081,   0.072,   0.059)  (  0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.694, -22.266,   6.864)  ( -2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 16       (-252.054, 153.584,  -0.039)  (-252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
171:     bond    (-231.402, 164.441,  -0.027)  (-231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
171:     angle   ( -0.078,   0.245,  -0.010)  ( -0.070,   0.248,   0.000)  ( 0.06,  0.08,  0.01)
171:     torsion (  0.027,   0.087,  -0.001)  (  0.028,   0.091,  -0.000)  ( 0.00,  0.03,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-20.602, -11.189,  -0.001)  (-20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 17       (127.701, -175.256, -201.805)  (127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
171:     bond    (105.488, -167.895, -204.493)  (105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
171:     angle   (  0.023,  -0.434,   0.081)  (  0.030,  -0.425,   0.086)  ( 0.02,  0.38,  0.04)
171:     torsion ( -0.075,  -0.062,  -0.086)  ( -0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 22.265,  -6.865,   2.694)  ( 22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 18       (-175.256, 201.756, 127.701)  (-175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
171:     bond    (-167.895, 204.461, 105.488)  (-167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
171:     angle   ( -0.434,  -0.092,   0.023)  ( -0.425,  -0.086,   0.030)  ( 0.38,  0.05,  0.02)
171:     torsion ( -0.062,   0.081,  -0.075)  ( -0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.865,  -2.694,  22.265)  ( -6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 19       (-79.182,  45.542, 280.385)  (-79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
171:     bond    (-65.145,  61.024, 269.764)  (-65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
171:     angle   ( -0.189,   0.087,  -0.386)  ( -0.180,   0.092,  -0.379)  ( 0.16,  0.05,  0.28)
171:     torsion ( -0.079,  -0.134,  -0.078)  ( -0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-13.769, -15.435,  11.087)  (-13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 20       ( 79.113,  45.542, -280.461)  ( 79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
171:     bond    ( 65.096,  61.024, -269.822)  ( 65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
171:     angle   (  0.172,   0.087,   0.372)  (  0.180,   0.092,   0.379)  ( 0.15,  0.05,  0.27)
171:     torsion (  0.077,  -0.134,   0.076)  (  0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.768, -15.435, -11.087)  ( 13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 21       (127.701, 175.179, -201.805)  (127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
171:     bond    (105.488, 167.839, -204.493)  (105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
171:     angle   (  0.023,   0.417,   0.081)  (  0.030,   0.425,   0.086)  ( 0.02,  0.36,  0.04)
171:     torsion ( -0.075,   0.059,  -0.086)  ( -0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 22.265,   6.864,   2.694)  ( 22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 22       (153.584,  -0.039, 251.973)  (153.597,   0.000, 252.014)  ( 0.01,  0.15,  0.02)
171:     bond    (164.441,  -0.027, 231.339)  (164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
171:     angle   (  0.245,  -0.010,   0.062)  (  0.248,  -0.000,   0.070)  ( 0.08,  0.01,  0.05)
171:     torsion (  0.087,  -0.001,  -0.029)  (  0.091,   0.000,  -0.028)  ( 0.03,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-11.189,  -0.001,  20.601)  (-11.189,   0.000,  20.601)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 23       (201.756, 127.701, -175.256)  (201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
171:     bond    (204.461, 105.488, -167.895)  (204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
171:     angle   ( -0.092,   0.023,  -0.434)  ( -0.086,   0.030,  -0.425)  ( 0.05,  0.02,  0.38)
171:     torsion (  0.081,  -0.075,  -0.062)  (  0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.694,  22.265,  -6.865)  ( -2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 24       (-45.579, -280.461,  79.113)  (-45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
171:     bond    (-61.045, -269.822,  65.096)  (-61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
171:     angle   ( -0.097,   0.372,   0.172)  ( -0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
171:     torsion (  0.128,   0.076,   0.077)  (  0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 15.435, -11.087,  13.768)  ( 15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 25       (-79.182, -45.579, -280.461)  (-79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
171:     bond    (-65.145, -61.045, -269.822)  (-65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
171:     angle   ( -0.189,  -0.097,   0.372)  ( -0.180,  -0.092,   0.379)  ( 0.16,  0.05,  0.27)
171:     torsion ( -0.079,   0.128,   0.076)  ( -0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-13.769,  15.435, -11.087)  (-13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 26       (-175.256, -201.805, 127.701)  (-175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
171:     bond    (-167.895, -204.493, 105.488)  (-167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
171:     angle   ( -0.434,   0.081,   0.023)  ( -0.425,   0.086,   0.030)  ( 0.38,  0.04,  0.02)
171:     torsion ( -0.062,  -0.086,  -0.075)  ( -0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.865,   2.694,  22.265)  ( -6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 27       (201.756, 127.701, 175.179)  (201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
171:     bond    (204.461, 105.488, 167.839)  (204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
171:     angle   ( -0.092,   0.023,   0.417)  ( -0.086,   0.030,   0.425)  ( 0.05,  0.02,  0.36)
171:     torsion (  0.081,  -0.075,   0.059)  (  0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.694,  22.265,   6.864)  ( -2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 28       (-252.054, -153.609,  -0.039)  (-252.014, -153.597,   0.000)  ( 0.02,  0.01,  0.15)
171:     bond    (-231.402, -164.452,  -0.027)  (-231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
171:     angle   ( -0.078,  -0.251,  -0.010)  ( -0.070,  -0.248,   0.000)  ( 0.06,  0.09,  0.01)
171:     torsion (  0.027,  -0.095,  -0.001)  (  0.028,  -0.091,   0.000)  ( 0.00,  0.03,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-20.602,  11.189,  -0.001)  (-20.601,  11.189,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 29       ( 79.113, -45.579, -280.461)  ( 79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
171:     bond    ( 65.096, -61.045, -269.822)  ( 65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
171:     angle   (  0.172,  -0.097,   0.372)  (  0.180,  -0.092,   0.379)  ( 0.15,  0.05,  0.27)
171:     torsion (  0.077,   0.128,   0.076)  (  0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.768,  15.435, -11.087)  ( 13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 30       (251.973, 153.584,  -0.039)  (252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
171:     bond    (231.339, 164.441,  -0.027)  (231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
171:     angle   (  0.062,   0.245,  -0.010)  (  0.070,   0.248,   0.000)  ( 0.05,  0.08,  0.01)
171:     torsion ( -0.029,   0.087,  -0.001)  ( -0.028,   0.091,   0.000)  ( 0.00,  0.03,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 20.601, -11.189,  -0.001)  ( 20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 31       (153.584,  -0.039, -252.054)  (153.597,  -0.000, -252.014)  ( 0.01,  0.15,  0.02)
171:     bond    (164.441,  -0.027, -231.402)  (164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
171:     angle   (  0.245,  -0.010,  -0.078)  (  0.248,   0.000,  -0.070)  ( 0.08,  0.01,  0.06)
171:     torsion (  0.087,  -0.001,   0.027)  (  0.091,  -0.000,   0.028)  ( 0.03,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-11.189,  -0.001, -20.602)  (-11.189,  -0.000, -20.601)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 32       (-45.579, 280.385,  79.113)  (-45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
171:     bond    (-61.045, 269.764,  65.096)  (-61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
171:     angle   ( -0.097,  -0.386,   0.172)  ( -0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
171:     torsion (  0.128,  -0.078,   0.077)  (  0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 15.435,  11.087,  13.768)  ( 15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 33       (-79.182, -45.579, 280.385)  (-79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
171:     bond    (-65.145, -61.045, 269.764)  (-65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
171:     angle   ( -0.189,  -0.097,  -0.386)  ( -0.180,  -0.092,  -0.379)  ( 0.16,  0.05,  0.28)
171:     torsion ( -0.079,   0.128,  -0.078)  ( -0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-13.769,  15.435,  11.087)  (-13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 34       (251.973, -153.609,  -0.039)  (252.014, -153.597,  -0.000)  ( 0.02,  0.01,  0.15)
171:     bond    (231.339, -164.452,  -0.027)  (231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
171:     angle   (  0.062,  -0.251,  -0.010)  (  0.070,  -0.248,   0.000)  ( 0.05,  0.09,  0.01)
171:     torsion ( -0.029,  -0.095,  -0.001)  ( -0.028,  -0.091,  -0.000)  ( 0.00,  0.03,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 20.601,  11.189,  -0.001)  ( 20.601,  11.189,  -0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 35       (-201.805, 127.701, -175.256)  (-201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
171:     bond    (-204.493, 105.488, -167.895)  (-204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
171:     angle   (  0.081,   0.023,  -0.434)  (  0.086,   0.030,  -0.425)  ( 0.04,  0.02,  0.38)
171:     torsion ( -0.086,  -0.075,  -0.062)  ( -0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.694,  22.265,  -6.865)  (  2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 36       (-201.805, 127.701, 175.179)  (-201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
171:     bond    (-204.493, 105.488, 167.839)  (-204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
171:     angle   (  0.081,   0.023,   0.417)  (  0.086,   0.030,   0.425)  ( 0.04,  0.02,  0.36)
171:     torsion ( -0.086,  -0.075,   0.059)  ( -0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.694,  22.265,   6.864)  (  2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 37       (-153.609,  -0.039, 251.973)  (-153.597,  -0.000, 252.014)  ( 0.01,  0.15,  0.02)
171:     bond    (-164.452,  -0.027, 231.339)  (-164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
171:     angle   ( -0.251,  -0.010,   0.062)  ( -0.248,   0.000,   0.070)  ( 0.09,  0.01,  0.05)
171:     torsion ( -0.095,  -0.001,  -0.029)  ( -0.091,  -0.000,  -0.028)  ( 0.03,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 11.189,  -0.001,  20.601)  ( 11.189,  -0.000,  20.601)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 38       (-201.805, -127.758, -175.256)  (-201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
171:     bond    (-204.493, -105.528, -167.895)  (-204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
171:     angle   (  0.081,  -0.037,  -0.434)  (  0.086,  -0.030,  -0.425)  ( 0.04,  0.03,  0.38)
171:     torsion ( -0.086,   0.072,  -0.062)  ( -0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.694, -22.266,  -6.865)  (  2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 39       (-201.805, -127.758, 175.179)  (-201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
171:     bond    (-204.493, -105.528, 167.839)  (-204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
171:     angle   (  0.081,  -0.037,   0.417)  (  0.086,  -0.030,   0.425)  ( 0.04,  0.03,  0.36)
171:     torsion ( -0.086,   0.072,   0.059)  ( -0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.694, -22.266,   6.864)  (  2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 40       ( 79.113, -45.579, 280.385)  ( 79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
171:     bond    ( 65.096, -61.045, 269.764)  ( 65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
171:     angle   (  0.172,  -0.097,  -0.386)  (  0.180,  -0.092,  -0.379)  ( 0.15,  0.05,  0.28)
171:     torsion (  0.077,   0.128,  -0.078)  (  0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.768,  15.435,  11.087)  ( 13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 41       (-175.256, -201.805, -127.758)  (-175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
171:     bond    (-167.895, -204.493, -105.528)  (-167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
171:     angle   ( -0.434,   0.081,  -0.037)  ( -0.425,   0.086,  -0.030)  ( 0.38,  0.04,  0.03)
171:     torsion ( -0.062,  -0.086,   0.072)  ( -0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.865,   2.694, -22.266)  ( -6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 42       (-280.461,  79.113,  45.542)  (-280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
171:     bond    (-269.822,  65.096,  61.024)  (-269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
171:     angle   (  0.372,   0.172,   0.087)  (  0.379,   0.180,   0.092)  ( 0.27,  0.15,  0.05)
171:     torsion (  0.076,   0.077,  -0.134)  (  0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-11.087,  13.768, -15.435)  (-11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 43       (175.179, -201.805, -127.758)  (175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
171:     bond    (167.839, -204.493, -105.528)  (167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
171:     angle   (  0.417,   0.081,  -0.037)  (  0.425,   0.086,  -0.030)  ( 0.36,  0.04,  0.03)
171:     torsion (  0.059,  -0.086,   0.072)  (  0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.864,   2.694, -22.266)  (  6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 44       ( 45.542, 280.385, -79.182)  ( 45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
171:     bond    ( 61.024, 269.764, -65.145)  ( 61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
171:     angle   (  0.087,  -0.386,  -0.189)  (  0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
171:     torsion ( -0.134,  -0.078,  -0.079)  ( -0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-15.435,  11.087, -13.769)  (-15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 45       (-45.579, 280.385, -79.182)  (-45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
171:     bond    (-61.045, 269.764, -65.145)  (-61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
171:     angle   ( -0.097,  -0.386,  -0.189)  ( -0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
171:     torsion (  0.128,  -0.078,  -0.079)  (  0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 15.435,  11.087, -13.769)  ( 15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 46       ( 45.542, -280.461, -79.182)  ( 45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
171:     bond    ( 61.024, -269.822, -65.145)  ( 61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
171:     angle   (  0.087,   0.372,  -0.189)  (  0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
171:     torsion ( -0.134,   0.076,  -0.079)  ( -0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-15.435, -11.087, -13.769)  (-15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 47       (-127.758, -175.256, 201.756)  (-127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
171:     bond    (-105.528, -167.895, 204.461)  (-105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
171:     angle   ( -0.037,  -0.434,  -0.092)  ( -0.030,  -0.425,  -0.086)  ( 0.03,  0.38,  0.05)
171:     torsion (  0.072,  -0.062,   0.081)  (  0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-22.266,  -6.865,  -2.694)  (-22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 48       (-153.609,  -0.039, -252.054)  (-153.597,   0.000, -252.014)  ( 0.01,  0.15,  0.02)
171:     bond    (-164.452,  -0.027, -231.402)  (-164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
171:     angle   ( -0.251,  -0.010,  -0.078)  ( -0.248,   0.000,  -0.070)  ( 0.09,  0.01,  0.06)
171:     torsion ( -0.095,  -0.001,   0.027)  ( -0.091,   0.000,   0.028)  ( 0.03,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 11.189,  -0.001, -20.602)  ( 11.189,   0.000, -20.601)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 49       ( 79.113,  45.542, 280.385)  ( 79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
171:     bond    ( 65.096,  61.024, 269.764)  ( 65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
171:     angle   (  0.172,   0.087,  -0.386)  (  0.180,   0.092,  -0.379)  ( 0.15,  0.05,  0.28)
171:     torsion (  0.077,  -0.134,  -0.078)  (  0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.768, -15.435,  11.087)  ( 13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 50       (-175.256, 201.756, -127.758)  (-175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
171:     bond    (-167.895, 204.461, -105.528)  (-167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
171:     angle   ( -0.434,  -0.092,  -0.037)  ( -0.425,  -0.086,  -0.030)  ( 0.38,  0.05,  0.03)
171:     torsion ( -0.062,   0.081,   0.072)  ( -0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.865,  -2.694, -22.266)  ( -6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 51       (-45.579, -280.461, -79.182)  (-45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
171:     bond    (-61.045, -269.822, -65.145)  (-61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
171:     angle   ( -0.097,   0.372,  -0.189)  ( -0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
171:     torsion (  0.128,   0.076,  -0.079)  (  0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 15.435, -11.087, -13.769)  ( 15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 52       (127.701, -175.256, 201.756)  (127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
171:     bond    (105.488, -167.895, 204.461)  (105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
171:     angle   (  0.023,  -0.434,  -0.092)  (  0.030,  -0.425,  -0.086)  ( 0.02,  0.38,  0.05)
171:     torsion ( -0.075,  -0.062,   0.081)  ( -0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 22.265,  -6.865,  -2.694)  ( 22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 53       (280.385,  79.113,  45.542)  (280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
171:     bond    (269.764,  65.096,  61.024)  (269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
171:     angle   ( -0.386,   0.172,   0.087)  ( -0.379,   0.180,   0.092)  ( 0.28,  0.15,  0.05)
171:     torsion ( -0.078,   0.077,  -0.134)  ( -0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 11.087,  13.768, -15.435)  ( 11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 54       ( -0.039, 251.973, 153.584)  (  0.000, 252.014, 153.597)  ( 0.15,  0.02,  0.01)
171:     bond    ( -0.027, 231.339, 164.441)  (  0.000, 231.370, 164.446)  ( 0.07,  0.01,  0.00)
171:     angle   ( -0.010,   0.062,   0.245)  (  0.000,   0.070,   0.248)  ( 0.01,  0.05,  0.08)
171:     torsion ( -0.001,  -0.029,   0.087)  (  0.000,  -0.028,   0.091)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.001,  20.601, -11.189)  ( -0.000,  20.601, -11.189)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 55       (127.701, 175.179, 201.756)  (127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
171:     bond    (105.488, 167.839, 204.461)  (105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
171:     angle   (  0.023,   0.417,  -0.092)  (  0.030,   0.425,  -0.086)  ( 0.02,  0.36,  0.05)
171:     torsion ( -0.075,   0.059,   0.081)  ( -0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 22.265,   6.864,  -2.694)  ( 22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 56       (-127.758, 175.179, 201.756)  (-127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
171:     bond    (-105.528, 167.839, 204.461)  (-105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
171:     angle   ( -0.037,   0.417,  -0.092)  ( -0.030,   0.425,  -0.086)  ( 0.03,  0.36,  0.05)
171:     torsion (  0.072,   0.059,   0.081)  (  0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-22.266,   6.864,  -2.694)  (-22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 57       (175.179, 201.756, -127.758)  (175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
171:     bond    (167.839, 204.461, -105.528)  (167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
171:     angle   (  0.417,  -0.092,  -0.037)  (  0.425,  -0.086,  -0.030)  ( 0.36,  0.05,  0.03)
171:     torsion (  0.059,   0.081,   0.072)  (  0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.864,  -2.694, -22.266)  (  6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 58       (-280.461, -79.182,  45.542)  (-280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
171:     bond    (-269.822, -65.145,  61.024)  (-269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
171:     angle   (  0.372,  -0.189,   0.087)  (  0.379,  -0.180,   0.092)  ( 0.27,  0.16,  0.05)
171:     torsion (  0.076,  -0.079,  -0.134)  (  0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-11.087, -13.769, -15.435)  (-11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 59       (280.385, -79.182,  45.542)  (280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
171:     bond    (269.764, -65.145,  61.024)  (269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
171:     angle   ( -0.386,  -0.189,   0.087)  ( -0.379,  -0.180,   0.092)  ( 0.28,  0.16,  0.05)
171:     torsion ( -0.078,  -0.079,  -0.134)  ( -0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 11.087, -13.769, -15.435)  ( 11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: 60       ( -0.039, -252.054, 153.584)  ( -0.000, -252.014, 153.597)  ( 0.15,  0.02,  0.01)
171:     bond    ( -0.027, -231.402, 164.441)  (  0.000, -231.370, 164.446)  ( 0.07,  0.01,  0.00)
171:     angle   ( -0.010,  -0.078,   0.245)  (  0.000,  -0.070,   0.248)  ( 0.01,  0.06,  0.08)
171:     torsion ( -0.001,   0.027,   0.087)  ( -0.000,   0.028,   0.091)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.001, -20.602, -11.189)  (  0.000, -20.601, -11.189)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171: ok 18 # gradients 
171: ok 19 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (128.296, -35.573,  -1.888)  (128.330, -35.535,  -1.883)  ( 0.03,  0.11,  0.29)
171:     bond    (218.773, -102.594,   0.838)  (218.799, -102.565,   0.837)  ( 0.01,  0.03,  0.06)
171:     angle   (-68.683, 105.729,   0.647)  (-68.676, 105.737,   0.647)  ( 0.01,  0.01,  0.02)
171:     torsion (  0.038,   0.040,  -3.549)  (  0.038,   0.040,  -3.543)  ( 0.00,  0.00,  0.17)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-20.813, -37.299,   0.127)  (-20.813, -37.298,   0.126)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.019,  -1.448,   0.050)  ( -1.019,  -1.448,   0.050)  ( 0.00,  0.00,  0.00)
171:  2       (281.068, -1188.291, -17.634)  (281.102, -1188.250, -17.626)  ( 0.01,  0.00,  0.04)
171:     bond    (199.175, -1090.331, -15.615)  (199.206, -1090.299, -15.611)  ( 0.02,  0.00,  0.02)
171:     angle   ( 69.460, -67.272,   0.308)  ( 69.464, -67.264,   0.307)  ( 0.00,  0.01,  0.01)
171:     torsion ( -0.023,   0.021,  -1.836)  ( -0.023,   0.021,  -1.832)  ( 0.00,  0.00,  0.22)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 15.333, -37.494,  -0.530)  ( 15.333, -37.493,  -0.530)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.877,   6.785,   0.040)  ( -2.877,   6.785,   0.040)  ( 0.00,  0.00,  0.00)
171:  3       (-95.225,  97.149,   0.483)  (-95.191,  97.186,   0.488)  ( 0.04,  0.04,  0.23)
171:     bond    ( 63.762, 122.448,  -0.384)  ( 63.785, 122.476,  -0.384)  ( 0.04,  0.02,  0.01)
171:     angle   (-186.520, -27.262,   1.747)  (-186.510, -27.252,   1.749)  ( 0.01,  0.03,  0.10)
171:     torsion (  0.007,  -0.009,  -0.836)  (  0.007,  -0.009,  -0.832)  ( 0.00,  0.00,  0.27)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 29.633,   0.508,  -0.018)  ( 29.634,   0.508,  -0.018)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.107,   1.463,  -0.026)  ( -2.107,   1.463,  -0.026)  ( 0.00,  0.00,  0.00)
171:  4       ( 94.737, 157.424,  -0.489)  ( 94.780, 157.473,  -0.485)  ( 0.05,  0.03,  0.19)
171:     bond    (-46.361, -63.712,   0.736)  (-46.328, -63.677,   0.736)  ( 0.07,  0.06,  0.01)
171:     angle   (123.050, 192.290,  -1.188)  (123.061, 192.303,  -1.188)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.003,  -0.009,   1.181)  ( -0.003,  -0.009,   1.185)  ( 0.00,  0.00,  0.33)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 22.661,  34.033,  -1.182)  ( 22.662,  34.034,  -1.182)  ( 0.00,  0.00,  0.01)
171:     electro ( -4.612,  -5.178,  -0.035)  ( -4.612,  -5.178,  -0.035)  ( 0.00,  0.00,  0.00)
171:  5       ( 50.085,  46.745,  -5.713)  ( 50.097,  46.767,  -5.713)  ( 0.02,  0.05,  0.01)
171:     bond    ( 19.816,  34.187,  -0.459)  ( 19.823,  34.207,  -0.459)  ( 0.03,  0.06,  0.01)
171:     angle   ( -3.956,   2.291,   0.156)  ( -3.952,   2.292,   0.156)  ( 0.08,  0.05,  0.00)
171:     torsion (  0.006,   0.008,   0.847)  (  0.006,   0.008,   0.847)  ( 0.00,  0.00,  0.06)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 36.360,  13.815,  -6.604)  ( 36.362,  13.816,  -6.604)  ( 0.01,  0.01,  0.00)
171:     electro ( -2.141,  -3.556,   0.346)  ( -2.141,  -3.556,   0.346)  ( 0.00,  0.00,  0.00)
171:  6       ( 41.005, -127.450,  -1.432)  ( 41.044, -127.413,  -1.426)  ( 0.10,  0.03,  0.42)
171:     bond    ( 11.187,  -3.409,  -0.560)  ( 11.216,  -3.383,  -0.559)  ( 0.26,  0.74,  0.02)
171:     angle   ( 48.460, -158.897,   1.836)  ( 48.470, -158.886,   1.838)  ( 0.02,  0.01,  0.12)
171:     torsion ( -0.002,  -0.007,  -2.722)  ( -0.002,  -0.007,  -2.718)  ( 0.00,  0.00,  0.13)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-21.313,  35.607,   0.035)  (-21.313,  35.608,   0.035)  ( 0.00,  0.00,  0.00)
171:     electro (  2.674,  -0.745,  -0.021)  (  2.674,  -0.745,  -0.021)  ( 0.00,  0.00,  0.00)
171:  7       (-172.336, 176.366,   1.808)  (-172.289, 176.402,   1.812)  ( 0.03,  0.02,  0.22)
171:     bond    (-39.092, 208.455,   0.645)  (-39.056, 208.480,   0.644)  ( 0.09,  0.01,  0.05)
171:     angle   (-117.591, -37.558,  -0.021)  (-117.580, -37.549,  -0.021)  ( 0.01,  0.03,  0.00)
171:     torsion ( -0.015,  -0.016,   1.697)  ( -0.015,  -0.016,   1.702)  ( 0.00,  0.00,  0.27)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-26.856,   1.037,  -0.590)  (-26.855,   1.037,  -0.590)  ( 0.00,  0.02,  0.00)
171:     electro ( 11.217,   4.449,   0.077)  ( 11.217,   4.449,   0.078)  ( 0.00,  0.00,  0.00)
171:  8       (-71.877,  25.255,  -1.766)  (-71.850,  25.261,  -1.766)  ( 0.04,  0.02,  0.04)
171:     bond    (-48.136,   0.639,  -0.319)  (-48.109,   0.639,  -0.319)  ( 0.06,  0.01,  0.01)
171:     angle   (  0.447,  33.751,   0.218)  (  0.447,  33.755,   0.219)  ( 0.00,  0.01,  0.00)
171:     torsion ( -0.002,   0.001,   0.249)  ( -0.002,   0.001,   0.250)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-18.882, -13.305,  -1.995)  (-18.882, -13.304,  -1.995)  ( 0.00,  0.01,  0.00)
171:     electro ( -5.304,   4.169,   0.081)  ( -5.304,   4.169,   0.081)  ( 0.00,  0.00,  0.00)
171:  9       (107.964,  16.302,   0.120)  (107.998,  16.335,   0.125)  ( 0.03,  0.21,  0.06)
171:     bond    (-114.432, -52.818,  -1.214)  (-114.405, -52.794,  -1.215)  ( 0.02,  0.05,  0.03)
171:     angle   (213.876,  81.450,   1.116)  (213.883,  81.460,   1.118)  ( 0.00,  0.01,  0.23)
171:     torsion ( -0.007,   0.012,   0.300)  ( -0.007,   0.012,   0.303)  ( 0.00,  0.00,  0.09)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.635,  -6.803,  -0.038)  (  4.635,  -6.803,  -0.038)  ( 0.00,  0.00,  0.00)
171:     electro (  3.892,  -5.540,  -0.044)  (  3.892,  -5.540,  -0.044)  ( 0.00,  0.00,  0.00)
171: 10       (-1232.123, 378.660,   7.823)  (-1232.101, 378.688,   7.832)  ( 0.00,  0.01,  0.11)
171:     bond    (-1219.073, 393.320,   6.949)  (-1219.052, 393.348,   6.957)  ( 0.00,  0.01,  0.11)
171:     angle   (  0.014,   0.007,  -0.000)  (  0.014,   0.007,  -0.000)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.013,  -0.025,   1.906)  (  0.013,  -0.025,   1.907)  ( 0.00,  0.00,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-15.447, -14.655,  -1.091)  (-15.447, -14.655,  -1.091)  ( 0.00,  0.00,  0.00)
171:     electro (  2.370,   0.013,   0.059)  (  2.370,   0.013,   0.059)  ( 0.00,  0.00,  0.00)
171: 11       (868.110, 416.293,   5.883)  (868.142, 416.327,   5.888)  ( 0.00,  0.01,  0.09)
171:     bond    (931.068, 534.771,   7.333)  (931.096, 534.801,   7.337)  ( 0.00,  0.01,  0.05)
171:     angle   (-66.254, -120.686,  -1.778)  (-66.250, -120.682,  -1.778)  ( 0.01,  0.00,  0.01)
171:     torsion ( -0.003,  -0.008,   0.240)  ( -0.003,  -0.008,   0.242)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.363,   1.247,   0.074)  (  3.363,   1.247,   0.074)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.064,   0.969,   0.013)  ( -0.064,   0.969,   0.013)  ( 0.00,  0.00,  0.00)
171: 12       ( 38.119,  -4.461,   4.327)  ( 38.147,  -4.433,   4.353)  ( 0.07,  0.64,  0.60)
171:     bond    ( 43.122,  15.663,   2.939)  ( 43.141,  15.682,   2.958)  ( 0.04,  0.12,  0.64)
171:     angle   ( -3.080,  -2.207,   0.710)  ( -3.071,  -2.198,   0.717)  ( 0.27,  0.41,  0.47)
171:     torsion ( -0.010,  -0.019,   0.925)  ( -0.010,  -0.019,   0.926)  ( 0.00,  0.00,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.869, -18.372,  -0.253)  ( -1.869, -18.372,  -0.253)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.044,   0.475,   0.006)  ( -0.044,   0.475,   0.006)  ( 0.00,  0.00,  0.00)
171: 13       ( -3.814, -21.443,  -0.726)  ( -3.787, -21.414,  -0.700)  ( 0.71,  0.13,  1.87)
171:     bond    (-37.132,  -0.822,  -0.015)  (-37.114,  -0.803,   0.004)  ( 0.05,  1.54,  0.03)
171:     angle   (  8.038,  -2.248,  -1.177)  (  8.046,  -2.239,  -1.170)  ( 0.10,  0.41,  0.57)
171:     torsion (  0.005,   0.002,   0.437)  (  0.005,   0.002,   0.438)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 25.611, -18.535,   0.028)  ( 25.611, -18.535,   0.028)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.336,   0.160,   0.000)  ( -0.336,   0.160,   0.000)  ( 0.00,  0.00,  0.00)
171: 14       ( -5.268,   4.089,  -1.753)  ( -5.240,   4.116,  -1.727)  ( 0.55,  0.68,  1.47)
171:     bond    ( 18.838, -35.431,  -0.855)  ( 18.857, -35.412,  -0.837)  ( 0.10,  0.05,  1.61)
171:     angle   ( -2.977,   9.335,  -1.958)  ( -2.968,   9.344,  -1.951)  ( 0.30,  0.09,  0.34)
171:     torsion ( -0.005,   0.011,   1.087)  ( -0.005,   0.011,   1.088)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-21.392,  30.685,  -0.028)  (-21.391,  30.686,  -0.028)  ( 0.01,  0.00,  0.00)
171:     electro (  0.268,  -0.512,   0.001)  (  0.268,  -0.512,   0.001)  ( 0.00,  0.00,  0.00)
171: 15       (-13.220,  31.091,   0.684)  (-13.218,  31.106,   0.684)  ( 0.01,  0.05,  0.03)
171:     bond    ( -0.154,  33.589,   0.740)  ( -0.154,  33.604,   0.740)  ( 0.00,  0.04,  0.01)
171:     angle   (-15.890,  -0.071,  -0.069)  (-15.888,  -0.071,  -0.069)  ( 0.01,  0.00,  0.00)
171:     torsion ( -0.000,  -0.001,   0.039)  ( -0.000,  -0.001,   0.039)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.026,  -0.316,   0.002)  (  1.026,  -0.316,   0.002)  ( 0.00,  0.00,  0.00)
171:     electro (  1.799,  -2.110,  -0.028)  (  1.799,  -2.110,  -0.028)  ( 0.00,  0.00,  0.00)
171: 16       ( -1.881,  -8.801,  -0.757)  ( -1.878,  -8.787,  -0.755)  ( 0.13,  0.16,  0.15)
171:     bond    ( -0.134,  -8.107,  -0.342)  ( -0.134,  -8.093,  -0.342)  ( 0.00,  0.17,  0.00)
171:     angle   (  2.859,  -0.034,  -0.321)  (  2.862,  -0.034,  -0.319)  ( 0.09,  0.00,  0.07)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.279,  -0.650,  -0.070)  ( -3.279,  -0.650,  -0.070)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.328,  -0.010,  -0.024)  ( -1.328,  -0.010,  -0.024)  ( 0.00,  0.00,  0.00)
171: 17       ( -4.370,   0.985,   5.557)  ( -4.365,   0.988,   5.567)  ( 0.11,  0.32,  0.19)
171:     bond    ( -2.662,   1.728,   4.686)  ( -2.659,   1.730,   4.695)  ( 0.12,  0.07,  0.21)
171:     angle   (  0.322,   0.016,   0.176)  (  0.323,   0.018,   0.177)  ( 0.06,  0.00,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.867,  -1.505,   0.633)  ( -0.867,  -1.504,   0.633)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.161,   0.746,   0.063)  ( -1.161,   0.746,   0.063)  ( 0.00,  0.00,  0.00)
171: 18       ( -5.504,   1.672,  -8.084)  ( -5.499,   1.676,  -8.074)  ( 0.09,  0.23,  0.12)
171:     bond    ( -3.864,   3.113,  -6.665)  ( -3.861,   3.115,  -6.656)  ( 0.08,  0.06,  0.14)
171:     angle   (  0.665,  -0.087,  -0.428)  (  0.667,  -0.086,  -0.427)  ( 0.13,  0.02,  0.03)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.126,  -2.162,  -0.950)  ( -1.126,  -2.162,  -0.950)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.179,   0.809,  -0.041)  ( -1.179,   0.809,  -0.041)  ( 0.00,  0.00,  0.00)
171: 19       (  2.471,   2.206,  -8.584)  (  2.474,   2.208,  -8.571)  ( 0.15,  0.13,  0.14)
171:     bond    (  2.793,   2.223,  -8.000)  (  2.794,   2.224,  -7.988)  ( 0.05,  0.04,  0.15)
171:     angle   ( -1.138,   0.137,  -0.359)  ( -1.136,   0.139,  -0.359)  ( 0.19,  0.03,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.125,  -0.749,  -0.532)  (  1.125,  -0.748,  -0.532)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.309,   0.594,   0.307)  ( -0.309,   0.594,   0.307)  ( 0.00,  0.00,  0.00)
171: 20       ( 11.893,  -3.594,   3.602)  ( 11.897,  -3.582,   3.605)  ( 0.04,  0.34,  0.07)
171:     bond    (  3.073,  -7.944,   2.047)  (  3.075,  -7.932,   2.047)  ( 0.06,  0.15,  0.04)
171:     angle   ( -4.627,  -1.768,   0.098)  ( -4.625,  -1.767,   0.100)  ( 0.05,  0.02,  0.02)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.975,   6.517,   1.574)  ( 13.975,   6.517,   1.574)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.528,  -0.400,  -0.116)  ( -0.528,  -0.400,  -0.116)  ( 0.00,  0.00,  0.00)
171: 21       (  8.288,   3.291,   8.967)  (  8.291,   3.298,   8.975)  ( 0.05,  0.23,  0.08)
171:     bond    (  3.137,   6.237,   6.237)  (  3.139,   6.244,   6.244)  ( 0.05,  0.10,  0.10)
171:     angle   ( -2.271,   0.849,   0.289)  ( -2.268,   0.850,   0.291)  ( 0.10,  0.10,  0.03)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  8.099,  -4.775,   2.825)  (  8.099,  -4.775,   2.825)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.678,   0.980,  -0.385)  ( -0.678,   0.980,  -0.385)  ( 0.00,  0.00,  0.00)
171: 22       ( -7.209,   8.539,   9.096)  ( -7.199,   8.542,   9.103)  ( 0.13,  0.03,  0.07)
171:     bond    ( -7.592,  -0.446,   5.750)  ( -7.583,  -0.446,   5.755)  ( 0.12,  0.00,  0.09)
171:     angle   (  0.316,  -3.141,   0.173)  (  0.317,  -3.139,   0.174)  ( 0.02,  0.08,  0.02)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.310,  13.218,   3.611)  (  0.310,  13.218,   3.611)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.243,  -1.091,  -0.438)  ( -0.243,  -1.091,  -0.438)  ( 0.00,  0.00,  0.00)
171: 23       (-17.717,  21.345,   8.253)  (-17.709,  21.354,   8.256)  ( 0.04,  0.04,  0.04)
171:     bond    (  6.018,   7.206,   3.106)  (  6.023,   7.213,   3.107)  ( 0.09,  0.10,  0.04)
171:     angle   (  4.963,  -4.166,   0.043)  (  4.965,  -4.165,   0.045)  ( 0.03,  0.03,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-30.269,  18.907,   5.408)  (-30.268,  18.907,   5.408)  ( 0.00,  0.00,  0.00)
171:     electro (  1.571,  -0.601,  -0.303)  (  1.571,  -0.601,  -0.303)  ( 0.00,  0.00,  0.00)
171: 24       ( -1.980,   1.683,  -7.974)  ( -1.977,   1.686,  -7.961)  ( 0.16,  0.17,  0.16)
171:     bond    ( -2.499,   1.642,  -7.703)  ( -2.498,   1.643,  -7.690)  ( 0.05,  0.03,  0.16)
171:     angle   (  0.405,  -0.575,  -0.255)  (  0.407,  -0.573,  -0.255)  ( 0.08,  0.13,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.024,   1.037,  -0.436)  ( -0.024,   1.037,  -0.436)  ( 0.00,  0.00,  0.00)
171:     electro (  0.138,  -0.421,   0.420)  (  0.138,  -0.421,   0.420)  ( 0.00,  0.00,  0.00)
171: ok 20 # gradients 
171: ok 21 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (-22.308, -43.542, -24.843)  (-22.281, -43.516, -24.816)  ( 0.12,  0.06,  0.11)
171:     bond    (-14.531, -30.893,  -8.732)  (-14.514, -30.876,  -8.714)  ( 0.12,  0.06,  0.21)
171:     angle   (  2.512,  -2.285, -10.607)  (  2.522,  -2.276, -10.598)  ( 0.37,  0.38,  0.08)
171:     torsion ( -2.655,  -2.742,  -4.981)  ( -2.654,  -2.742,  -4.981)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -7.525,  -7.528,  -0.566)  ( -7.525,  -7.528,  -0.566)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.109,  -0.093,   0.043)  ( -0.109,  -0.093,   0.043)  ( 0.00,  0.00,  0.00)
171:  2       (-63.836,  37.192,   9.403)  (-63.808,  37.218,   9.429)  ( 0.04,  0.07,  0.28)
171:     bond    (-19.887,  31.641,  -3.832)  (-19.869,  31.659,  -3.814)  ( 0.09,  0.06,  0.46)
171:     angle   (-21.218,   1.942,  26.416)  (-21.210,   1.950,  26.425)  ( 0.04,  0.44,  0.03)
171:     torsion ( -4.470,   2.457,   2.254)  ( -4.470,   2.457,   2.255)  ( 0.00,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-17.943,   1.510, -15.520)  (-17.943,   1.511, -15.520)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.317,  -0.358,   0.084)  ( -0.317,  -0.358,   0.084)  ( 0.00,  0.00,  0.00)
171:  3       ( 24.879,  35.511, -41.054)  ( 24.906,  35.538, -41.027)  ( 0.11,  0.08,  0.07)
171:     bond    ( 43.021,  -1.284,  21.164)  ( 43.039,  -1.266,  21.182)  ( 0.04,  1.41,  0.09)
171:     angle   ( -8.872,  26.134, -47.437)  ( -8.864,  26.143, -47.429)  ( 0.10,  0.03,  0.02)
171:     torsion ( -0.191,   2.872,  -3.368)  ( -0.191,   2.872,  -3.368)  ( 0.00,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -9.262,   7.953, -11.544)  ( -9.262,   7.953, -11.543)  ( 0.00,  0.01,  0.00)
171:     electro (  0.184,  -0.164,   0.131)  (  0.184,  -0.164,   0.131)  ( 0.00,  0.00,  0.00)
171:  4       (  2.828, -39.628,  46.776)  (  2.857, -39.600,  46.801)  ( 1.00,  0.07,  0.06)
171:     bond    ( 33.477,  -2.989,  17.076)  ( 33.496,  -2.970,  17.094)  ( 0.06,  0.61,  0.11)
171:     angle   (-26.689, -10.403,  39.611)  (-26.679, -10.394,  39.618)  ( 0.03,  0.09,  0.02)
171:     torsion ( -0.440,  -5.890, -14.995)  ( -0.440,  -5.890, -14.994)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.482, -20.368,   5.117)  ( -3.482, -20.368,   5.117)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.038,   0.022,  -0.034)  ( -0.038,   0.022,  -0.034)  ( 0.00,  0.00,  0.00)
171:  5       ( 73.049,   5.536, -12.631)  ( 73.088,   5.567, -12.622)  ( 0.05,  0.57,  0.07)
171:     bond    ( 36.993,  27.428,  -1.146)  ( 37.023,  27.450,  -1.144)  ( 0.08,  0.08,  0.13)
171:     angle   ( 33.662,  -7.390, -34.834)  ( 33.670,  -7.382, -34.831)  ( 0.02,  0.12,  0.01)
171:     torsion (  1.264,   4.163,  20.949)  (  1.264,   4.163,  20.953)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.115, -19.347,   2.757)  (  1.116, -19.347,   2.757)  ( 0.05,  0.00,  0.00)
171:     electro (  0.015,   0.682,  -0.357)  (  0.015,   0.682,  -0.357)  ( 0.00,  0.00,  0.00)
171:  6       (-77.127,  -1.074,   3.759)  (-77.090,  -1.042,   3.766)  ( 0.05,  2.99,  0.21)
171:     bond    (-78.710,  18.207,  -6.480)  (-78.680,  18.229,  -6.479)  ( 0.04,  0.12,  0.02)
171:     angle   ( -4.204,   3.671,   5.342)  ( -4.197,   3.680,   5.343)  ( 0.17,  0.25,  0.03)
171:     torsion ( -0.397,  -2.218,  -2.463)  ( -0.397,  -2.218,  -2.458)  ( 0.00,  0.01,  0.20)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.356, -21.178,   7.702)  (  6.356, -21.178,   7.702)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.173,   0.445,  -0.341)  ( -0.173,   0.445,  -0.341)  ( 0.00,  0.00,  0.00)
171:  7       ( 49.490, -26.176,  -7.776)  ( 49.518, -26.148,  -7.751)  ( 0.06,  0.11,  0.33)
171:     bond    ( 18.673,  16.713,   0.892)  ( 18.691,  16.732,   0.910)  ( 0.10,  0.11,  1.63)
171:     angle   ( 26.683, -27.526,  -4.329)  ( 26.692, -27.516,  -4.322)  ( 0.03,  0.03,  0.15)
171:     torsion (  0.886,  -2.319, -10.236)  (  0.886,  -2.319, -10.235)  ( 0.01,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.288, -13.122,   6.005)  (  3.289, -13.121,   6.005)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.039,   0.078,  -0.109)  ( -0.039,   0.078,  -0.109)  ( 0.00,  0.00,  0.00)
171:  8       (-35.192,  12.822,  53.744)  (-35.165,  12.849,  53.771)  ( 0.08,  0.22,  0.05)
171:     bond    (-20.989,   9.111, -28.842)  (-20.972,   9.128, -28.824)  ( 0.08,  0.19,  0.06)
171:     angle   (-25.736,  17.614,  80.518)  (-25.726,  17.623,  80.527)  ( 0.04,  0.05,  0.01)
171:     torsion ( -2.011,  -0.575,   3.948)  ( -2.011,  -0.575,   3.948)  ( 0.01,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.550, -13.548,  -1.907)  ( 13.551, -13.547,  -1.907)  ( 0.00,  0.00,  0.01)
171:     electro ( -0.006,   0.221,   0.027)  ( -0.006,   0.221,   0.027)  ( 0.00,  0.00,  0.00)
171:  9       (  9.873,  27.136, -47.477)  (  9.901,  27.163, -47.450)  ( 0.29,  0.10,  0.06)
171:     bond    (-30.658,  30.523, -29.944)  (-30.639,  30.540, -29.927)  ( 0.06,  0.06,  0.06)
171:     angle   ( 25.853,   9.550, -23.593)  ( 25.863,   9.560, -23.584)  ( 0.04,  0.10,  0.04)
171:     torsion ( -0.469,  -3.044,  -4.166)  ( -0.469,  -3.044,  -4.166)  ( 0.01,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 15.131, -10.099,  10.271)  ( 15.132, -10.099,  10.271)  ( 0.00,  0.00,  0.00)
171:     electro (  0.016,   0.206,  -0.044)  (  0.016,   0.206,  -0.044)  ( 0.00,  0.00,  0.00)
171: 10       ( 28.019, -40.005,  31.486)  ( 28.044, -39.978,  31.512)  ( 0.09,  0.07,  0.09)
171:     bond    ( 34.324,  10.400,  10.514)  ( 34.340,  10.419,  10.532)  ( 0.05,  0.18,  0.18)
171:     angle   (-23.006, -37.357,  30.359)  (-22.997, -37.349,  30.367)  ( 0.04,  0.02,  0.03)
171:     torsion (  0.490,  -3.580,  -3.486)  (  0.490,  -3.580,  -3.486)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 16.479,  -9.577,  -5.866)  ( 16.479,  -9.577,  -5.866)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.268,   0.108,  -0.035)  ( -0.268,   0.108,  -0.035)  ( 0.00,  0.00,  0.00)
171: 11       ( 42.944,  -3.551,   3.573)  ( 42.971,  -3.526,   3.600)  ( 0.06,  0.72,  0.75)
171:     bond    (-22.879,  -5.120, -14.558)  (-22.860,  -5.103, -14.539)  ( 0.08,  0.33,  0.13)
171:     angle   ( 61.432,  15.137,  19.736)  ( 61.441,  15.145,  19.744)  ( 0.01,  0.06,  0.04)
171:     torsion ( -0.381,   1.027,   1.544)  ( -0.381,   1.027,   1.544)  ( 0.00,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.982, -14.918,  -3.077)  (  4.982, -14.917,  -3.077)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.210,   0.322,  -0.072)  ( -0.210,   0.322,  -0.072)  ( 0.00,  0.00,  0.00)
171: 12       (-30.929,  -4.215, -23.764)  (-30.903,  -4.185, -23.738)  ( 0.09,  0.70,  0.11)
171:     bond    (-66.490,  82.822,  23.511)  (-66.473,  82.841,  23.529)  ( 0.03,  0.02,  0.08)
171:     angle   ( 28.483, -89.468, -54.042)  ( 28.492, -89.458, -54.035)  ( 0.03,  0.01,  0.01)
171:     torsion (  1.674,   3.980,   1.439)  (  1.674,   3.980,   1.439)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.582,  -1.625,   5.322)  (  5.582,  -1.625,   5.322)  ( 0.00,  0.01,  0.00)
171:     electro ( -0.178,   0.077,   0.006)  ( -0.178,   0.077,   0.006)  ( 0.00,  0.00,  0.00)
171: 13       (-14.876,  12.813,  29.139)  (-14.849,  12.841,  29.164)  ( 0.19,  0.21,  0.09)
171:     bond    ( 64.127, -112.790,  27.092)  ( 64.145, -112.772,  27.110)  ( 0.03,  0.02,  0.07)
171:     angle   (-82.099, 120.864,   8.835)  (-82.090, 120.873,   8.842)  ( 0.01,  0.01,  0.08)
171:     torsion ( -0.625,   3.574,  -2.102)  ( -0.625,   3.574,  -2.101)  ( 0.01,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.773,   1.285,  -4.822)  (  3.773,   1.285,  -4.822)  ( 0.00,  0.01,  0.00)
171:     electro ( -0.051,  -0.120,   0.136)  ( -0.051,  -0.120,   0.136)  ( 0.00,  0.00,  0.00)
171: 14       (  2.250, -33.695,   6.772)  (  2.278, -33.668,   6.798)  ( 1.21,  0.08,  0.39)
171:     bond    (-77.710,  60.285, -35.054)  (-77.692,  60.303, -35.036)  ( 0.02,  0.03,  0.05)
171:     angle   ( 75.670, -103.322,  38.094)  ( 75.679, -103.314,  38.101)  ( 0.01,  0.01,  0.02)
171:     torsion (  1.249,  -0.162,   1.416)  (  1.249,  -0.161,   1.417)  ( 0.01,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.027,   9.584,   2.523)  (  3.027,   9.584,   2.523)  ( 0.00,  0.00,  0.01)
171:     electro (  0.015,  -0.080,  -0.207)  (  0.015,  -0.080,  -0.207)  ( 0.00,  0.00,  0.00)
171: 15       (-39.902,  19.803,  -0.379)  (-39.875,  19.830,  -0.353)  ( 0.07,  0.14,  0.99)
171:     bond    (  3.025, -78.820,  25.958)  (  3.043, -78.802,  25.977)  ( 0.59,  0.02,  0.07)
171:     angle   (-49.068, 110.969, -36.714)  (-49.060, 110.978, -36.707)  ( 0.02,  0.01,  0.02)
171:     torsion ( -1.503,   1.058,  -0.774)  ( -1.503,   1.059,  -0.774)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  7.677, -13.640,  11.362)  (  7.677, -13.639,  11.362)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.032,   0.235,  -0.211)  ( -0.032,   0.235,  -0.211)  ( 0.00,  0.00,  0.00)
171: 16       ( 31.729, -35.552,  15.159)  ( 31.757, -35.525,  15.186)  ( 0.09,  0.07,  0.17)
171:     bond    ( -1.351,  47.387, -25.784)  ( -1.333,  47.405, -25.766)  ( 1.36,  0.04,  0.07)
171:     angle   ( 33.555, -81.751,  34.045)  ( 33.564, -81.742,  34.052)  ( 0.03,  0.01,  0.02)
171:     torsion (  1.197,  -0.589,   7.374)  (  1.197,  -0.589,   7.374)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.709,  -0.821,  -0.520)  ( -1.709,  -0.821,  -0.520)  ( 0.01,  0.01,  0.00)
171:     electro (  0.038,   0.221,   0.046)  (  0.038,   0.221,   0.046)  ( 0.00,  0.00,  0.00)
171: 17       (  6.118, -32.326, -49.852)  (  6.145, -32.298, -49.826)  ( 0.43,  0.09,  0.05)
171:     bond    (-11.675, -75.819,   2.896)  (-11.658, -75.800,   2.913)  ( 0.14,  0.02,  0.61)
171:     angle   ( 12.832,  40.812, -50.366)  ( 12.841,  40.821, -50.358)  ( 0.07,  0.02,  0.02)
171:     torsion (  1.947,   1.741,  -2.677)  (  1.947,   1.741,  -2.677)  ( 0.01,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.215,   1.061,   0.274)  (  3.216,   1.061,   0.274)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.201,  -0.121,   0.021)  ( -0.201,  -0.121,   0.021)  ( 0.00,  0.00,  0.00)
171: 18       (-33.161,  52.536,  15.536)  (-33.134,  52.563,  15.562)  ( 0.08,  0.05,  0.17)
171:     bond    (  0.939,  25.907,   0.494)  (  0.957,  25.925,   0.513)  ( 1.75,  0.07,  0.92)
171:     angle   (-36.770,  12.993,  13.369)  (-36.762,  13.000,  13.376)  ( 0.02,  0.06,  0.06)
171:     torsion (  2.724,   0.710,   3.961)  (  2.724,   0.711,   3.961)  ( 0.00,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.234,  13.366,  -2.363)  ( -0.233,  13.367,  -2.363)  ( 0.01,  0.00,  0.00)
171:     electro (  0.180,  -0.440,   0.075)  (  0.180,  -0.440,   0.075)  ( 0.00,  0.00,  0.00)
171: 19       ( 37.987,   7.123,  15.649)  ( 38.014,   7.150,  15.676)  ( 0.07,  0.38,  0.17)
171:     bond    ( -0.323,   9.038,   1.714)  ( -0.305,   9.056,   1.733)  ( 0.60,  0.21,  1.08)
171:     angle   ( 26.612,  -1.957,  20.358)  ( 26.620,  -1.949,  20.366)  ( 0.03,  0.41,  0.04)
171:     torsion (  1.649,  -0.902,  -3.804)  (  1.649,  -0.902,  -3.804)  ( 0.00,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 10.597,   0.994,  -2.622)  ( 10.597,   0.994,  -2.622)  ( 0.00,  0.02,  0.00)
171:     electro ( -0.547,  -0.050,   0.004)  ( -0.547,  -0.050,   0.004)  ( 0.00,  0.00,  0.00)
171: 20       (-10.381,  15.215, -40.486)  (-10.354,  15.243, -40.459)  ( 0.26,  0.18,  0.07)
171:     bond    ( 10.285,  -8.664,   4.027)  ( 10.303,  -8.645,   4.045)  ( 0.18,  0.21,  0.45)
171:     angle   (  0.393,  19.206, -30.998)  (  0.400,  19.214, -30.989)  ( 0.30,  0.04,  0.03)
171:     torsion ( -3.530,  -0.913,   0.087)  ( -3.530,  -0.913,   0.087)  ( 0.00,  0.02,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-17.801,   5.682, -13.790)  (-17.800,   5.683, -13.790)  ( 0.00,  0.01,  0.00)
171:     electro (  0.272,  -0.096,   0.188)  (  0.272,  -0.096,   0.188)  ( 0.00,  0.00,  0.00)
171: 21       ( 50.906, -23.098, -16.714)  ( 50.934, -23.072, -16.686)  ( 0.06,  0.11,  0.17)
171:     bond    (114.995,  -1.709, -14.139)  (115.014,  -1.693, -14.122)  ( 0.02,  0.96,  0.12)
171:     angle   (-67.309, -23.081,  -4.995)  (-67.299, -23.072,  -4.984)  ( 0.01,  0.04,  0.20)
172:     bond    ( 16.867,  -0.230,  -1.803)  ( 16.896,  -0.230,  -1.803)  ( 0.17,  0.00,  0.02)
172:     angle   ( -0.250,  -5.004,  -1.704)  ( -0.250,  -4.999,  -1.703)  ( 0.00,  0.10,  0.03)
172:     torsion ( -0.098,   0.340,  -0.959)  ( -0.098,   0.340,  -0.958)  ( 0.00,  0.00,  0.06)
172:     vdw     ( -2.257,   0.053,   0.249)  ( -2.257,   0.053,   0.249)  ( 0.00,  0.00,  0.00)
172:     electro ( -1.143,   0.162,   0.231)  ( -1.143,   0.162,   0.231)  ( 0.00,  0.00,  0.00)
172: 36       (  0.006, -15.359,  -3.544)  (  0.016, -15.338,  -3.540)  ( 0.01,  0.14,  0.10)
172:     bond    (  7.720, -14.222,  -5.441)  (  7.726, -14.202,  -5.438)  ( 0.08,  0.14,  0.06)
172:     angle   ( -6.523,  -3.314,  -0.610)  ( -6.519,  -3.312,  -0.610)  ( 0.07,  0.03,  0.00)
172:     torsion (  0.113,  -0.467,   1.379)  (  0.113,  -0.467,   1.380)  ( 0.00,  0.00,  0.05)
172:     vdw     ( -1.472,   1.894,   0.739)  ( -1.472,   1.894,   0.739)  ( 0.01,  0.00,  0.00)
172:     electro (  0.168,   0.749,   0.389)  (  0.168,   0.749,   0.389)  ( 0.00,  0.00,  0.00)
172: 37       ( -1.645, -23.765, -11.107)  ( -1.633, -23.744, -11.104)  ( 0.76,  0.09,  0.02)
172:     bond    ( -8.146, -13.043,  -3.758)  ( -8.138, -13.023,  -3.756)  ( 0.09,  0.15,  0.05)
172:     angle   ( 22.101, -12.124,  -5.860)  ( 22.105, -12.123,  -5.860)  ( 0.02,  0.01,  0.01)
172:     torsion (  0.229,  -0.865,   2.502)  (  0.229,  -0.865,   2.503)  ( 0.00,  0.01,  0.03)
172:     vdw     (-17.378,   2.284,  -4.976)  (-17.377,   2.284,  -4.976)  ( 0.00,  0.01,  0.00)
172:     electro (  1.549,  -0.016,   0.985)  (  1.549,  -0.016,   0.985)  ( 0.00,  0.00,  0.00)
172: 38       (  8.408,  13.534,   1.843)  (  8.418,  13.556,   1.846)  ( 0.13,  0.16,  0.20)
172:     bond    ( -4.650,   8.801,   3.291)  ( -4.644,   8.822,   3.294)  ( 0.12,  0.23,  0.09)
172:     angle   ( 17.462,   8.623,   1.530)  ( 17.466,   8.624,   1.530)  ( 0.03,  0.01,  0.00)
172:     torsion ( -0.168,   0.870,  -2.570)  ( -0.168,   0.870,  -2.569)  ( 0.00,  0.01,  0.03)
172:     vdw     ( -3.024,  -4.212,  -0.222)  ( -3.024,  -4.212,  -0.222)  ( 0.01,  0.00,  0.00)
172:     electro ( -1.211,  -0.549,  -0.187)  ( -1.211,  -0.549,  -0.187)  ( 0.00,  0.00,  0.00)
172: 39       ( 10.765,   9.918,  -1.617)  ( 10.778,   9.939,  -1.615)  ( 0.12,  0.21,  0.15)
172:     bond    (  8.882,  13.515,   3.463)  (  8.890,  13.534,   3.465)  ( 0.09,  0.14,  0.04)
172:     angle   (  3.987,  -2.305,  -1.242)  (  3.991,  -2.304,  -1.242)  ( 0.10,  0.06,  0.03)
172:     torsion ( -0.368,   1.081,  -3.282)  ( -0.368,   1.082,  -3.282)  ( 0.00,  0.01,  0.02)
172:     vdw     ( -1.312,  -1.866,  -0.453)  ( -1.312,  -1.866,  -0.453)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.425,  -0.508,  -0.102)  ( -0.425,  -0.508,  -0.102)  ( 0.00,  0.00,  0.00)
172: 40       (-19.395, 112.685, -25.588)  (-19.386, 112.700, -25.575)  ( 0.05,  0.01,  0.05)
172:     bond    (-28.621,  47.221,  42.215)  (-28.616,  47.235,  42.226)  ( 0.02,  0.03,  0.03)
172:     angle   ( -8.824,   0.753,  -6.820)  ( -8.821,   0.753,  -6.820)  ( 0.04,  0.03,  0.01)
172:     torsion ( 17.980,  42.007, -34.806)  ( 17.980,  42.007, -34.805)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.332,  20.683, -26.047)  ( -2.331,  20.683, -26.047)  ( 0.02,  0.00,  0.00)
172:     electro (  2.402,   2.022,  -0.130)  (  2.402,   2.022,  -0.130)  ( 0.00,  0.00,  0.00)
172: 41       (-69.377, -53.313,  26.652)  (-69.353, -53.296,  26.653)  ( 0.03,  0.03,  0.00)
172:     bond    ( 32.496, -18.726,   5.332)  ( 32.517, -18.719,   5.332)  ( 0.07,  0.04,  0.01)
172:     angle   (-53.205, -90.112,   8.124)  (-53.204, -90.108,   8.124)  ( 0.00,  0.01,  0.00)
172:     torsion (  1.029,  -1.765, -12.473)  (  1.029,  -1.765, -12.473)  ( 0.00,  0.00,  0.01)
172:     vdw     (-49.387,  55.775,  24.800)  (-49.386,  55.780,  24.800)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.309,   1.516,   0.870)  ( -0.309,   1.516,   0.870)  ( 0.00,  0.00,  0.00)
172: 42       ( 19.714,  21.792,  18.497)  ( 19.735,  21.805,  18.499)  ( 0.11,  0.06,  0.01)
172:     bond    (-10.363,   6.911,   2.336)  (-10.343,   6.920,   2.337)  ( 0.19,  0.12,  0.04)
172:     angle   ( 26.400,  39.285,   0.517)  ( 26.401,  39.289,   0.517)  ( 0.01,  0.01,  0.00)
172:     torsion ( -1.585,   1.240, -10.682)  ( -1.584,   1.240, -10.682)  ( 0.00,  0.00,  0.01)
172:     vdw     (  5.474, -26.880,  23.842)  (  5.474, -26.879,  23.843)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.212,   1.236,   2.483)  ( -0.212,   1.236,   2.483)  ( 0.00,  0.00,  0.00)
172: 43       (  9.715,   8.359,   2.930)  (  9.740,   8.368,   2.931)  ( 0.26,  0.11,  0.03)
172:     bond    ( 14.301,   6.147,  -0.831)  ( 14.325,   6.152,  -0.830)  ( 0.17,  0.07,  0.01)
172:     angle   ( -1.761,   4.174,   0.598)  ( -1.760,   4.179,   0.598)  ( 0.05,  0.11,  0.01)
172:     torsion (  0.282,  -0.288,   2.724)  (  0.282,  -0.288,   2.725)  ( 0.00,  0.00,  0.03)
172:     vdw     ( -2.337,  -1.262,  -0.140)  ( -2.337,  -1.262,  -0.140)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.770,  -0.413,   0.578)  ( -0.770,  -0.413,   0.578)  ( 0.00,  0.00,  0.00)
172: 44       ( -8.045,   9.666,   3.235)  ( -8.039,   9.694,   3.236)  ( 0.08,  0.29,  0.03)
172:     bond    (  1.544,  12.383,   1.114)  (  1.545,  12.412,   1.114)  ( 0.03,  0.23,  0.03)
172:     angle   ( -9.291,   1.062,   1.043)  ( -9.286,   1.062,   1.043)  ( 0.06,  0.01,  0.00)
172:     torsion (  0.121,  -0.133,   1.312)  (  0.121,  -0.133,   1.313)  ( 0.00,  0.00,  0.06)
172:     vdw     ( -0.297,  -2.246,  -0.246)  ( -0.297,  -2.246,  -0.246)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.122,  -1.401,   0.012)  ( -0.122,  -1.401,   0.012)  ( 0.00,  0.00,  0.00)
172: 45       (-20.489,  -1.793,  -0.197)  (-20.468,  -1.779,  -0.196)  ( 0.10,  0.77,  0.02)
172:     bond    (-15.530,  11.287,   2.391)  (-15.511,  11.296,   2.392)  ( 0.12,  0.09,  0.02)
172:     angle   ( -7.148,  -9.776,  -0.187)  ( -7.146,  -9.773,  -0.187)  ( 0.03,  0.04,  0.00)
172:     torsion ( -0.198,   0.179,  -2.132)  ( -0.198,   0.179,  -2.132)  ( 0.00,  0.00,  0.04)
172:     vdw     (  1.583,  -2.939,  -0.285)  (  1.583,  -2.939,  -0.285)  ( 0.00,  0.01,  0.00)
172:     electro (  0.804,  -0.544,   0.016)  (  0.804,  -0.544,   0.016)  ( 0.00,  0.00,  0.00)
172: 46       (-46.238, -62.524, -18.907)  (-46.212, -62.511, -18.906)  ( 0.06,  0.02,  0.01)
172:     bond    (-11.826,  -4.182,   1.104)  (-11.800,  -4.179,   1.104)  ( 0.22,  0.08,  0.03)
172:     angle   (-21.089,  61.421,   7.120)  (-21.088,  61.427,   7.120)  ( 0.00,  0.01,  0.00)
172:     torsion ( -0.097,   0.023,  -0.953)  ( -0.097,   0.023,  -0.953)  ( 0.00,  0.00,  0.07)
172:     vdw     (-12.557, -119.814, -26.018)  (-12.557, -119.810, -26.019)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.669,   0.028,  -0.158)  ( -0.669,   0.028,  -0.158)  ( 0.00,  0.00,  0.00)
172: 47       ( -5.094,   7.629,  -4.637)  ( -5.086,   7.633,  -4.614)  ( 0.15,  0.05,  0.49)
172:     bond    (  0.337,   0.107,   0.688)  (  0.343,   0.108,   0.710)  ( 0.17,  0.01,  1.52)
172:     angle   ( -5.784,   5.773,   1.912)  ( -5.782,   5.776,   1.912)  ( 0.04,  0.05,  0.03)
172:     torsion (  1.105,   8.313,  -1.798)  (  1.105,   8.313,  -1.798)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -0.752,  -6.565,  -5.438)  ( -0.752,  -6.564,  -5.438)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 48       (-12.714, -49.529,  -2.800)  (-12.692, -49.520,  -2.796)  ( 0.18,  0.02,  0.15)
172:     bond    (-45.403, -22.360,  -5.878)  (-45.381, -22.354,  -5.878)  ( 0.05,  0.02,  0.00)
172:     angle   ( 25.355, -52.296,   3.108)  ( 25.356, -52.292,   3.112)  ( 0.00,  0.01,  0.12)
172:     torsion (  2.076,  -5.961,   6.639)  (  2.076,  -5.961,   6.639)  ( 0.00,  0.00,  0.00)
172:     vdw     (  5.257,  31.087,  -6.670)  (  5.257,  31.088,  -6.669)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 49       ( 29.104, -15.468,  26.637)  ( 29.109, -15.464,  26.663)  ( 0.02,  0.02,  0.10)
172:     bond    (  8.691,  -1.170,  31.882)  (  8.693,  -1.171,  31.908)  ( 0.02,  0.01,  0.08)
172:     angle   ( 17.852, -22.195,  -5.679)  ( 17.856, -22.191,  -5.679)  ( 0.02,  0.02,  0.00)
172:     torsion (  3.717,   7.207,  -0.748)  (  3.717,   7.207,  -0.748)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -1.156,   0.690,   1.183)  ( -1.156,   0.690,   1.183)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 50       ( 17.226,  18.672,  -6.621)  ( 17.231,  18.698,  -6.616)  ( 0.03,  0.14,  0.08)
172:     bond    ( -2.772,  16.961,  -4.316)  ( -2.771,  16.986,  -4.315)  ( 0.02,  0.15,  0.04)
172:     angle   ( 54.172,   5.135, -14.584)  ( 54.176,   5.135, -14.580)  ( 0.01,  0.01,  0.02)
172:     torsion ( -5.480,  -2.138,  -4.896)  ( -5.480,  -2.138,  -4.896)  ( 0.00,  0.00,  0.00)
172:     vdw     (-28.694,  -1.286,  17.174)  (-28.693,  -1.286,  17.174)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 51       (-33.794,  24.274, -40.682)  (-33.779,  24.281, -40.666)  ( 0.04,  0.03,  0.04)
172:     bond    ( 30.352, -12.598, -34.901)  ( 30.363, -12.597, -34.887)  ( 0.04,  0.01,  0.04)
172:     angle   (  7.193, -51.789,  24.959)  (  7.196, -51.786,  24.961)  ( 0.03,  0.01,  0.01)
172:     torsion (  2.155,  -1.693,   2.487)  (  2.155,  -1.693,   2.487)  ( 0.00,  0.00,  0.00)
172:     vdw     (-73.494,  90.354, -33.227)  (-73.493,  90.357, -33.227)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 52       (-24.612,   5.524,  -7.324)  (-24.604,   5.545,  -7.317)  ( 0.03,  0.39,  0.09)
172:     bond    ( -6.378,  13.625,  -4.792)  ( -6.374,  13.645,  -4.789)  ( 0.07,  0.15,  0.05)
172:     angle   (-44.477, -15.621,  14.682)  (-44.474, -15.620,  14.686)  ( 0.01,  0.01,  0.02)
172:     torsion (  0.169,  -0.561,  -1.823)  (  0.169,  -0.560,  -1.822)  ( 0.00,  0.00,  0.01)
172:     vdw     ( 26.075,   8.080, -15.392)  ( 26.075,   8.080, -15.392)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 53       ( -3.184,  -0.113,  25.824)  ( -3.174,  -0.108,  25.845)  ( 0.33,  0.06,  0.08)
172:     bond    ( 16.833,   6.637,  27.999)  ( 16.840,   6.638,  28.018)  ( 0.04,  0.01,  0.07)
172:     angle   (  4.218, -41.377,   7.264)  (  4.221, -41.373,   7.265)  ( 0.07,  0.01,  0.02)
172:     torsion ( -0.788,   0.868,   0.268)  ( -0.788,   0.868,   0.268)  ( 0.01,  0.01,  0.00)
172:     vdw     (-23.447,  33.759,  -9.706)  (-23.447,  33.760,  -9.706)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 54       ( 81.847, -35.310,  -1.568)  ( 81.851, -35.301,  -1.545)  ( 0.01,  0.03,  1.51)
172:     bond    (  1.892,  19.246, -43.726)  (  1.892,  19.250, -43.702)  ( 0.01,  0.02,  0.05)
172:     angle   (  2.957,  31.634,  14.063)  (  2.960,  31.638,  14.064)  ( 0.10,  0.01,  0.00)
172:     torsion (  1.196,   2.026,   0.944)  (  1.196,   2.026,   0.944)  ( 0.00,  0.01,  0.00)
172:     vdw     ( 75.802, -88.217,  27.149)  ( 75.804, -88.215,  27.149)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 55       ( 40.739,  13.177,  25.000)  ( 40.743,  13.194,  25.016)  ( 0.01,  0.13,  0.06)
172:     bond    ( -1.726,  27.095,  26.826)  ( -1.726,  27.109,  26.840)  ( 0.01,  0.05,  0.05)
172:     angle   ( 22.711,  16.443, -15.151)  ( 22.714,  16.445, -15.149)  ( 0.01,  0.01,  0.01)
172:     torsion ( -1.073,  -1.363,   1.308)  ( -1.073,  -1.363,   1.308)  ( 0.00,  0.00,  0.01)
172:     vdw     ( 20.827, -28.997,  12.017)  ( 20.828, -28.996,  12.017)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 56       ( 27.462,  23.808,  27.353)  ( 27.466,  23.818,  27.375)  ( 0.02,  0.04,  0.08)
172:     bond    ( -0.412,  -4.156,   7.487)  ( -0.412,  -4.149,   7.508)  ( 0.00,  0.16,  0.28)
172:     angle   ( -6.861,   6.239,   3.072)  ( -6.858,   6.242,   3.073)  ( 0.04,  0.04,  0.03)
172:     torsion (  3.628,  -1.846,  -0.821)  (  3.628,  -1.846,  -0.821)  ( 0.00,  0.01,  0.00)
172:     vdw     ( 31.106,  23.571,  17.615)  ( 31.107,  23.572,  17.615)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 57       (  5.898,   8.179, -34.688)  (  5.902,   8.194, -34.671)  ( 0.07,  0.18,  0.05)
172:     bond    (  0.673, -10.054, -10.747)  (  0.673, -10.041, -10.733)  ( 0.00,  0.13,  0.14)
172:     angle   (  2.789,   9.500,  -8.716)  (  2.792,   9.501,  -8.714)  ( 0.10,  0.02,  0.02)
172:     torsion ( -3.331,   3.439,  -3.426)  ( -3.331,   3.439,  -3.426)  ( 0.00,  0.00,  0.00)
172:     vdw     (  5.767,   5.294, -11.798)  (  5.768,   5.295, -11.798)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 58       ( -5.885,  -8.931, -52.790)  ( -5.882,  -8.918, -52.771)  ( 0.05,  0.14,  0.04)
172:     bond    (  0.309,  11.548, -14.901)  (  0.309,  11.558, -14.884)  ( 0.00,  0.09,  0.12)
172:     angle   ( -5.702,  -5.199,  -4.155)  ( -5.699,  -5.197,  -4.154)  ( 0.05,  0.03,  0.03)
172:     torsion ( -0.002,  -2.821,  -2.191)  ( -0.002,  -2.821,  -2.191)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.490, -12.458, -31.543)  ( -0.490, -12.458, -31.542)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 59       (  9.458,  -4.008,  17.326)  (  9.462,  -3.993,  17.342)  ( 0.04,  0.36,  0.10)
172:     bond    ( -0.858,  -7.737,   8.410)  ( -0.858,  -7.725,   8.425)  ( 0.01,  0.16,  0.18)
172:     angle   (  0.951,  16.311,  15.052)  (  0.953,  16.313,  15.053)  ( 0.28,  0.01,  0.01)
172:     torsion (  6.189,  -5.933,  -4.809)  (  6.189,  -5.933,  -4.809)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.178,  -6.649,  -1.327)  (  3.178,  -6.649,  -1.327)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 60       (  1.202,   7.569, -16.604)  (  1.206,   7.579, -16.583)  ( 0.36,  0.13,  0.13)
172:     bond    ( -0.741,  -4.985,  -8.670)  ( -0.741,  -4.978,  -8.650)  ( 0.01,  0.14,  0.24)
172:     angle   ( 19.298,  11.561,  -8.309)  ( 19.301,  11.564,  -8.308)  ( 0.02,  0.02,  0.01)
172:     torsion ( -4.603,   8.550,  -4.527)  ( -4.603,   8.550,  -4.527)  ( 0.00,  0.00,  0.00)
172:     vdw     (-12.753,  -7.557,   4.902)  (-12.751,  -7.557,   4.902)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 61       (  0.222,  16.889, -44.780)  (  0.225,  16.915, -44.775)  ( 0.08,  0.15,  0.01)
172:     bond    ( -1.386,  20.860,  -6.064)  ( -1.386,  20.885,  -6.062)  ( 0.00,  0.12,  0.03)
172:     angle   ( -3.325,  -5.687, -18.836)  ( -3.322,  -5.687, -18.834)  ( 0.08,  0.00,  0.01)
172:     torsion (  7.603,  -5.139, -19.445)  (  7.603,  -5.139, -19.445)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.671,   6.856,  -0.436)  ( -2.671,   6.856,  -0.435)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 62       (-11.163, -22.804,  19.699)  (-11.158, -22.782,  19.706)  ( 0.04,  0.10,  0.04)
172:     bond    (  5.612, -18.339,   8.759)  (  5.614, -18.318,   8.764)  ( 0.03,  0.11,  0.05)
172:     angle   (-10.045,   6.500,  20.018)  (-10.042,   6.501,  20.021)  ( 0.02,  0.01,  0.02)
172:     torsion ( -6.192,  -3.697,  -3.761)  ( -6.192,  -3.697,  -3.761)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.538,  -7.268,  -5.318)  ( -0.538,  -7.268,  -5.318)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 63       ( -7.929,  12.434, -29.237)  ( -7.923,  12.439, -29.213)  ( 0.08,  0.04,  0.08)
172:     bond    ( -8.382,  -4.333, -22.492)  ( -8.379,  -4.333, -22.469)  ( 0.04,  0.02,  0.10)
172:     angle   (-19.664,  13.436,   4.740)  (-19.662,  13.440,   4.740)  ( 0.01,  0.03,  0.01)
172:     torsion (  2.869,   6.025,  -2.232)  (  2.869,   6.025,  -2.232)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 17.248,  -2.694,  -9.253)  ( 17.248,  -2.694,  -9.253)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 64       ( -4.731, -155.892,  91.597)  ( -4.731, -155.852,  91.604)  ( 0.01,  0.03,  0.01)
172:     bond    (-17.037, -174.637,  46.452)  (-17.036, -174.598,  46.456)  ( 0.01,  0.02,  0.01)
172:     angle   ( -0.653,   3.633,  13.413)  ( -0.653,   3.633,  13.415)  ( 0.00,  0.01,  0.02)
172:     torsion ( 11.026,  -0.870,   0.773)  ( 11.026,  -0.870,   0.773)  ( 0.01,  0.00,  0.00)
172:     vdw     (  0.985,  17.333,  30.587)  (  0.985,  17.333,  30.588)  ( 0.01,  0.00,  0.00)
172:     electro (  0.947,  -1.351,   0.372)  (  0.947,  -1.351,   0.372)  ( 0.00,  0.00,  0.00)
172: 65       (-537.893, -18.195, 271.533)  (-537.846, -18.192, 271.542)  ( 0.01,  0.01,  0.00)
172:     bond    (-318.057, -51.391,   7.139)  (-318.016, -51.389,   7.141)  ( 0.01,  0.01,  0.02)
172:     angle   (  1.368,  -2.834,  40.547)  (  1.369,  -2.834,  40.550)  ( 0.00,  0.00,  0.01)
172:     torsion ( -6.132,  38.351,   2.887)  ( -6.132,  38.352,   2.887)  ( 0.00,  0.00,  0.00)
172:     vdw     (-212.980,  -2.100, 217.731)  (-212.975,  -2.101, 217.735)  ( 0.00,  0.03,  0.00)
172:     electro ( -2.092,  -0.220,   3.229)  ( -2.092,  -0.220,   3.229)  ( 0.00,  0.00,  0.00)
172: ok 14 # gradients 
172: ok 15 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (166.260, -124.810, -60.501)  (166.338, -124.744, -60.475)  ( 0.05,  0.05,  0.04)
172:     bond    (-26.883, -147.726, -90.013)  (-26.816, -147.672, -89.993)  ( 0.25,  0.04,  0.02)
172:     angle   (190.780,  16.997,  38.464)  (190.792,  17.008,  38.468)  ( 0.01,  0.06,  0.01)
172:     torsion (  1.643,   5.589,  -9.269)  (  1.643,   5.590,  -9.267)  ( 0.00,  0.01,  0.02)
172:     vdw     (  1.136,   0.027,   0.420)  (  1.136,   0.027,   0.420)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.417,   0.303,  -0.103)  ( -0.417,   0.303,  -0.103)  ( 0.00,  0.00,  0.00)
172:  2       (-297.442,  96.061,  13.554)  (-297.360,  96.124,  13.580)  ( 0.03,  0.07,  0.19)
172:     bond    (-129.145, 138.142,  49.204)  (-129.074, 138.195,  49.224)  ( 0.06,  0.04,  0.04)
172:     angle   (-166.550, -33.495, -45.045)  (-166.539, -33.485, -45.042)  ( 0.01,  0.03,  0.01)
172:     torsion ( -2.365,  -6.507,  10.958)  ( -2.365,  -6.506,  10.961)  ( 0.01,  0.01,  0.02)
172:     vdw     (  0.160,  -1.116,  -0.733)  (  0.160,  -1.116,  -0.733)  ( 0.00,  0.00,  0.00)
172:     electro (  0.459,  -0.964,  -0.830)  (  0.459,  -0.964,  -0.830)  ( 0.00,  0.00,  0.00)
172:  3       ( -9.374,  44.901,  10.754)  ( -9.292,  44.960,  10.779)  ( 0.88,  0.13,  0.23)
172:     bond    ( 19.883, -14.941,   1.560)  ( 19.953, -14.890,   1.579)  ( 0.35,  0.34,  1.26)
172:     angle   (-34.122,  46.870,  31.364)  (-34.110,  46.878,  31.368)  ( 0.03,  0.02,  0.01)
172:     torsion (  4.521,  13.586, -22.108)  (  4.521,  13.587, -22.106)  ( 0.00,  0.01,  0.01)
172:     vdw     (  0.345,  -0.614,  -0.062)  (  0.345,  -0.614,  -0.062)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (-124.051, -215.622, -108.163)  (-123.960, -215.557, -108.137)  ( 0.07,  0.03,  0.02)
172:     bond    (-57.493, -82.447, -62.641)  (-57.414, -82.393, -62.620)  ( 0.14,  0.06,  0.03)
172:     angle   (-65.102, -130.239, -41.819)  (-65.090, -130.228, -41.816)  ( 0.02,  0.01,  0.01)
172:     torsion ( -0.390,  -1.566,  -3.103)  ( -0.390,  -1.565,  -3.101)  ( 0.00,  0.06,  0.06)
172:     vdw     ( -1.066,  -1.370,  -0.600)  ( -1.066,  -1.370,  -0.600)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-96.373, -281.104, -157.053)  (-96.286, -281.046, -157.025)  ( 0.09,  0.02,  0.02)
172:     bond    ( 35.164, -188.308, -106.187)  ( 35.239, -188.263, -106.166)  ( 0.21,  0.02,  0.02)
172:     angle   (-128.195, -84.691, -69.739)  (-128.183, -84.679, -69.735)  ( 0.01,  0.01,  0.01)
172:     torsion ( -3.475, -11.451,  18.110)  ( -3.475, -11.450,  18.112)  ( 0.00,  0.01,  0.01)
172:     vdw     (  0.841,   0.225,   0.383)  (  0.841,   0.225,   0.383)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.709,   3.122,   0.381)  ( -0.709,   3.122,   0.381)  ( 0.00,  0.00,  0.00)
172:  6       (135.392, 231.857,  41.616)  (135.485, 231.944,  41.619)  ( 0.07,  0.04,  0.01)
172:     bond    ( 63.298,  98.989, -13.836)  ( 63.378,  99.062, -13.837)  ( 0.13,  0.07,  0.00)
172:     angle   ( 70.873, 127.550,  32.227)  ( 70.885, 127.563,  32.227)  ( 0.02,  0.01,  0.00)
172:     torsion (  0.010,   3.655,  22.816)  (  0.010,   3.656,  22.819)  ( 0.00,  0.01,  0.01)
172:     vdw     (  1.212,   1.662,   0.409)  (  1.212,   1.662,   0.409)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       (123.249, 325.409, -71.352)  (123.338, 325.486, -71.347)  ( 0.07,  0.02,  0.01)
172:     bond    (-21.296, 213.826, -37.139)  (-21.219, 213.888, -37.137)  ( 0.36,  0.03,  0.01)
172:     angle   (144.375, 118.592, -11.308)  (144.387, 118.608, -11.308)  ( 0.01,  0.01,  0.01)
172:     torsion (  0.299,  -3.704, -22.297)  (  0.299,  -3.704, -22.295)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.931,  -0.274,   0.221)  ( -0.931,  -0.274,   0.221)  ( 0.00,  0.00,  0.00)
172:     electro (  0.801,  -3.032,  -0.829)  (  0.801,  -3.032,  -0.829)  ( 0.00,  0.00,  0.00)
172:  8       (-173.670, 141.930,   1.489)  (-173.590, 142.018,   1.491)  ( 0.05,  0.06,  0.11)
172:     bond    ( 35.279, 170.381, -15.404)  ( 35.347, 170.453, -15.405)  ( 0.19,  0.04,  0.00)
172:     angle   (-208.439, -28.829,   7.088)  (-208.427, -28.814,   7.087)  ( 0.01,  0.05,  0.01)
172:     torsion (  0.235,   0.811,   9.763)  (  0.235,   0.811,   9.766)  ( 0.00,  0.00,  0.03)
172:     vdw     ( -1.182,  -0.171,   0.176)  ( -1.182,  -0.171,   0.176)  ( 0.00,  0.00,  0.00)
172:     electro (  0.437,  -0.262,  -0.133)  (  0.437,  -0.262,  -0.133)  ( 0.00,  0.00,  0.00)
172:  9       (301.704, -104.522,  13.779)  (301.791, -104.438,  13.781)  ( 0.03,  0.08,  0.01)
172:     bond    (124.141, -150.653,   6.072)  (124.216, -150.583,   6.071)  ( 0.06,  0.05,  0.01)
172:     angle   (177.366,  42.267,  -6.026)  (177.378,  42.281,  -6.026)  ( 0.01,  0.03,  0.01)
172:     torsion (  0.582,   1.393,  14.392)  (  0.582,   1.393,  14.396)  ( 0.00,  0.00,  0.02)
172:     vdw     ( -0.014,   1.237,  -0.267)  ( -0.014,   1.237,  -0.267)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.371,   1.234,  -0.393)  ( -0.371,   1.234,  -0.393)  ( 0.00,  0.00,  0.00)
172: 10       ( -9.031, -36.657,  -1.954)  ( -8.947, -36.577,  -1.951)  ( 0.93,  0.22,  0.14)
172:     bond    (-21.325,  13.809,   7.460)  (-21.252,  13.878,   7.459)  ( 0.34,  0.50,  0.01)
172:     angle   ( 13.345, -47.372,  23.451)  ( 13.357, -47.361,  23.452)  ( 0.09,  0.02,  0.00)
172:     torsion ( -0.719,  -3.690, -33.032)  ( -0.719,  -3.690, -33.029)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.333,   0.596,   0.167)  ( -0.333,   0.596,   0.168)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       (-336.506, -447.392,  64.729)  (-336.459, -447.339,  64.774)  ( 0.01,  0.01,  0.07)
172:     bond    (-120.022, -230.427,  22.445)  (-119.988, -230.387,  22.481)  ( 0.03,  0.02,  0.16)
172:     angle   (-216.364, -217.710,  35.994)  (-216.351, -217.696,  36.003)  ( 0.01,  0.01,  0.02)
172:     torsion (  0.153,   0.539,   5.921)  (  0.153,   0.539,   5.921)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.273,   0.205,   0.368)  ( -0.273,   0.205,   0.368)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       ( 46.356, -46.809,   0.794)  ( 46.380, -46.798,   0.794)  ( 0.05,  0.02,  0.02)
172:     bond    ( 11.340,   6.435,  -0.602)  ( 11.362,   6.442,  -0.602)  ( 0.19,  0.11,  0.00)
172:     angle   ( 29.821, -51.986,   6.570)  ( 29.823, -51.982,   6.570)  ( 0.01,  0.01,  0.01)
172:     torsion ( -0.085,  -0.362,  -5.488)  ( -0.085,  -0.362,  -5.487)  ( 0.00,  0.00,  0.02)
172:     vdw     (  2.804,  -0.728,   0.159)  (  2.804,  -0.728,   0.159)  ( 0.00,  0.00,  0.00)
172:     electro (  2.476,  -0.168,   0.155)  (  2.476,  -0.168,   0.155)  ( 0.00,  0.00,  0.00)
172: 13       (-43.636, -62.095,   8.066)  (-43.618, -62.079,   8.066)  ( 0.04,  0.03,  0.01)
172:     bond    (  6.870,  -6.372,   0.515)  (  6.886,  -6.359,   0.515)  ( 0.23,  0.21,  0.00)
172:     angle   (-50.625, -54.068,   9.337)  (-50.623, -54.064,   9.337)  ( 0.00,  0.01,  0.00)
172:     torsion ( -0.046,  -0.212,  -2.002)  ( -0.046,  -0.212,  -2.002)  ( 0.00,  0.00,  0.04)
172:     vdw     (  0.398,  -0.320,  -0.098)  (  0.398,  -0.320,  -0.098)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.233,  -1.124,   0.314)  ( -0.233,  -1.124,   0.314)  ( 0.00,  0.00,  0.00)
172: 14       (308.284, 404.996, 275.217)  (308.332, 405.047, 275.264)  ( 0.02,  0.01,  0.02)
172:     bond    (107.886, 194.366, 137.411)  (107.920, 194.406, 137.448)  ( 0.03,  0.02,  0.03)
172:     angle   (200.875, 213.264, 133.858)  (200.889, 213.276, 133.868)  ( 0.01,  0.01,  0.01)
172:     torsion ( -0.757,  -2.266,   3.729)  ( -0.757,  -2.265,   3.730)  ( 0.00,  0.00,  0.01)
172:     vdw     (  0.279,  -0.369,   0.219)  (  0.280,  -0.369,   0.219)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 15       (-44.147,  39.860,  11.226)  (-44.125,  39.868,  11.231)  ( 0.05,  0.02,  0.05)
172:     bond    (-10.739,  -4.993,  -5.106)  (-10.719,  -4.989,  -5.102)  ( 0.19,  0.09,  0.09)
172:     angle   (-28.282,  44.652,  15.753)  (-28.281,  44.655,  15.753)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.151,  -0.525,   0.829)  ( -0.151,  -0.525,   0.830)  ( 0.00,  0.01,  0.05)
172:     vdw     ( -2.532,   0.555,  -0.056)  ( -2.532,   0.555,  -0.056)  ( 0.00,  0.00,  0.00)
172:     electro ( -2.442,   0.172,  -0.193)  ( -2.442,   0.172,  -0.193)  ( 0.00,  0.00,  0.00)
172: 16       ( 38.574,  50.678,  41.047)  ( 38.592,  50.691,  41.050)  ( 0.05,  0.03,  0.01)
172:     bond    ( -7.428,   5.996,   2.147)  ( -7.412,   6.007,   2.149)  ( 0.22,  0.18,  0.06)
172:     angle   ( 46.271,  43.224,  38.774)  ( 46.273,  43.226,  38.776)  ( 0.00,  0.01,  0.00)
172:     torsion (  0.129,   0.355,  -0.548)  (  0.129,   0.355,  -0.548)  ( 0.00,  0.01,  0.03)
172:     vdw     ( -0.555,   0.208,  -0.096)  ( -0.555,   0.208,  -0.096)  ( 0.00,  0.00,  0.00)
172:     electro (  0.157,   0.896,   0.769)  (  0.157,   0.896,   0.769)  ( 0.00,  0.00,  0.00)
172: 17       ( 71.455, 185.399, 120.770)  ( 71.462, 185.421, 120.779)  ( 0.01,  0.01,  0.01)
172:     bond    (-22.457, 185.029, 106.355)  (-22.456, 185.051, 106.363)  ( 0.01,  0.01,  0.01)
172:     angle   ( 88.062,  -0.258,  19.043)  ( 88.067,  -0.258,  19.043)  ( 0.01,  0.00,  0.00)
172:     torsion (  0.626,   1.802,  -3.004)  (  0.626,   1.802,  -3.003)  ( 0.00,  0.01,  0.02)
172:     vdw     ( -0.029,  -0.116,  -2.337)  ( -0.029,  -0.116,  -2.337)  ( 0.00,  0.00,  0.00)
172:     electro (  5.254,  -1.057,   0.713)  (  5.254,  -1.057,   0.713)  ( 0.00,  0.00,  0.00)
172: 18       (-95.247, -212.706,  45.184)  (-95.241, -212.677,  45.186)  ( 0.01,  0.01,  0.01)
172:     bond    (  9.361, -210.545,  37.181)  (  9.362, -210.516,  37.183)  ( 0.01,  0.01,  0.01)
172:     angle   (-100.474,  -5.213,  -4.217)  (-100.469,  -5.213,  -4.217)  ( 0.01,  0.00,  0.00)
172:     torsion ( -0.174,   2.516,  14.287)  ( -0.174,   2.516,  14.287)  ( 0.00,  0.00,  0.00)
172:     vdw     (  1.452,  -0.345,  -2.215)  (  1.452,  -0.345,  -2.215)  ( 0.02,  0.00,  0.00)
172:     electro ( -5.413,   0.881,   0.149)  ( -5.413,   0.881,   0.149)  ( 0.00,  0.00,  0.00)
172: 19       (-84.920, -114.935, -67.235)  (-84.906, -114.922, -67.225)  ( 0.02,  0.01,  0.01)
172:     bond    ( 31.603, -31.324, -25.273)  ( 31.614, -31.314, -25.266)  ( 0.03,  0.03,  0.03)
172:     angle   (-117.689, -84.412, -42.640)  (-117.686, -84.410, -42.637)  ( 0.00,  0.00,  0.01)
172:     torsion ( -0.008,   0.089,  -0.120)  ( -0.008,   0.089,  -0.120)  ( 0.00,  0.00,  0.00)
172:     vdw     (  1.174,   0.712,   0.799)  (  1.174,   0.712,   0.799)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       (-48.107, -72.235, -69.589)  (-48.093, -72.229, -69.574)  ( 0.03,  0.01,  0.02)
172:     bond    (-37.263,  17.611, -41.184)  (-37.252,  17.614, -41.170)  ( 0.03,  0.02,  0.03)
172:     angle   (-10.876, -89.876, -28.612)  (-10.874, -89.872, -28.611)  ( 0.02,  0.00,  0.01)
172:     torsion ( -0.096,  -0.011,   0.083)  ( -0.096,  -0.011,   0.083)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.129,   0.040,   0.124)  (  0.129,   0.040,   0.124)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 21       (-41.116, -95.064, -44.322)  (-41.105, -95.050, -44.310)  ( 0.03,  0.01,  0.03)
172:     bond    (-30.031, -36.047,  31.516)  (-30.023, -36.035,  31.525)  ( 0.03,  0.03,  0.03)
172:     angle   ( -8.296, -60.639, -77.213)  ( -8.293, -60.637, -77.210)  ( 0.03,  0.00,  0.00)
172:     torsion (  0.117,  -0.076,   0.025)  (  0.117,  -0.076,   0.025)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.906,   1.698,   1.350)  ( -2.905,   1.698,   1.350)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 22       ( 48.033, 132.616, -33.392)  ( 48.055, 132.620, -33.383)  ( 0.05,  0.00,  0.03)
172:     bond    ( 52.153,   0.195, -26.552)  ( 52.176,   0.195, -26.546)  ( 0.04,  0.01,  0.02)
172:     angle   ( -4.570, 133.610,  -8.002)  ( -4.569, 133.613,  -7.999)  ( 0.02,  0.00,  0.03)
172:     torsion ( -0.007,   0.002,  -0.014)  ( -0.007,   0.002,  -0.014)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.456,  -1.191,   1.177)  (  0.456,  -1.191,   1.177)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 23       ( 67.190,  61.826,  20.295)  ( 67.195,  61.834,  20.318)  ( 0.01,  0.01,  0.11)
172:     bond    ( 10.644,  23.335,  49.973)  ( 10.645,  23.340,  49.996)  ( 0.01,  0.02,  0.04)
172:     angle   ( 56.121,  38.461, -29.908)  ( 56.125,  38.464, -29.907)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.016,   0.008,  -0.000)  ( -0.016,   0.008,  -0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.441,   0.023,   0.229)  (  0.442,   0.023,   0.229)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 24       ( 96.003,  97.427, -55.295)  ( 96.013,  97.441, -55.284)  ( 0.01,  0.02,  0.02)
172:     bond    (-24.478,  34.857, -28.158)  (-24.471,  34.870, -28.149)  ( 0.03,  0.04,  0.03)
172:     angle   (121.516,  63.126, -27.444)  (121.519,  63.128, -27.442)  ( 0.00,  0.00,  0.01)
172:     torsion ( -0.027,   0.017,   0.045)  ( -0.027,   0.017,   0.045)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -1.008,  -0.574,   0.262)  ( -1.008,  -0.574,   0.262)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 16 # gradients 
172: ok 17 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (763.591, 211.175, -129.938)  (763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
172:     bond    (760.485, 208.396, -131.774)  (760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
172:     angle   ( -0.453,   0.202,  -0.114)  ( -0.445,   0.212,  -0.107)  ( 0.38,  0.20,  0.07)
172:     torsion ( -0.043,   0.042,   0.071)  ( -0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
172:     vdw     (  3.603,   2.535,   1.878)  (  3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       ( -0.090, 681.819, -423.091)  ( -0.000, 681.921, -423.070)  ( 0.82,  0.01,  0.01)
172:     bond    ( -0.078, 677.006, -423.243)  (  0.000, 677.098, -423.228)  ( 0.61,  0.01,  0.00)
172:     angle   ( -0.011,   0.072,  -0.295)  ( -0.000,   0.082,  -0.291)  ( 0.01,  0.07,  0.12)
172:     torsion ( -0.001,  -0.016,  -0.052)  ( -0.000,  -0.015,  -0.050)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.000,   4.757,   0.499)  (  0.000,   4.757,   0.499)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       ( -0.090, -682.022, -423.091)  ( -0.000, -681.921, -423.070)  ( 0.82,  0.01,  0.01)
172:     bond    ( -0.078, -677.189, -423.243)  (  0.000, -677.098, -423.228)  ( 0.61,  0.01,  0.00)
172:     angle   ( -0.011,  -0.091,  -0.295)  ( -0.000,  -0.082,  -0.291)  ( 0.01,  0.09,  0.12)
172:     torsion ( -0.001,   0.015,  -0.052)  (  0.000,   0.015,  -0.050)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.000,  -4.757,   0.499)  ( -0.000,  -4.757,   0.499)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (763.591, -211.337, -129.938)  (763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
172:     bond    (760.485, -208.536, -131.774)  (760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
172:     angle   ( -0.453,  -0.222,  -0.114)  ( -0.445,  -0.212,  -0.107)  ( 0.38,  0.22,  0.07)
172:     torsion ( -0.043,  -0.044,   0.071)  ( -0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
172:     vdw     (  3.603,  -2.535,   1.878)  (  3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-341.903, 475.989, -552.554)  (-341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
172:     bond    (-337.801, 473.237, -551.537)  (-337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
172:     angle   ( -0.043,   0.489,   0.094)  ( -0.035,   0.499,   0.101)  ( 0.03,  0.50,  0.06)
172:     torsion (  0.040,   0.033,  -0.048)  (  0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -4.099,   2.230,  -1.064)  ( -4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (-341.903, -476.173, -552.554)  (-341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
172:     bond    (-337.801, -473.399, -551.537)  (-337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
172:     angle   ( -0.043,  -0.509,   0.094)  ( -0.035,  -0.499,   0.101)  ( 0.03,  0.52,  0.06)
172:     torsion (  0.040,  -0.034,  -0.048)  (  0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -4.099,  -2.230,  -1.064)  ( -4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       (-763.780, 211.175, -129.938)  (-763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
172:     bond    (-760.656, 208.396, -131.774)  (-760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
172:     angle   (  0.436,   0.202,  -0.114)  (  0.445,   0.212,  -0.107)  ( 0.37,  0.20,  0.07)
172:     torsion (  0.042,   0.042,   0.071)  (  0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -3.603,   2.535,   1.878)  ( -3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (-763.780, -211.337, -129.938)  (-763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
172:     bond    (-760.656, -208.536, -131.774)  (-760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
172:     angle   (  0.436,  -0.222,  -0.114)  (  0.445,  -0.212,  -0.107)  ( 0.37,  0.22,  0.07)
172:     torsion (  0.042,  -0.044,   0.071)  (  0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -3.603,  -2.535,   1.878)  ( -3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  9       (475.989, 552.444, 341.770)  (476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
172:     bond    (473.237, 551.443, 337.686)  (473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
172:     angle   (  0.489,  -0.107,   0.027)  (  0.499,  -0.101,   0.035)  ( 0.50,  0.07,  0.02)
172:     torsion (  0.033,   0.045,  -0.041)  (  0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
172:     vdw     (  2.230,   1.064,   4.099)  (  2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 10       (129.863, 763.591, 211.175)  (129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
172:     bond    (131.714, 760.485, 208.396)  (131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
172:     angle   (  0.101,  -0.453,   0.202)  (  0.107,  -0.445,   0.212)  ( 0.06,  0.38,  0.20)
172:     torsion ( -0.074,  -0.043,   0.042)  ( -0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -1.879,   3.603,   2.535)  ( -1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       (129.863, -763.780, 211.175)  (129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
172:     bond    (131.714, -760.656, 208.396)  (131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
172:     angle   (  0.101,   0.436,   0.202)  (  0.107,   0.445,   0.212)  ( 0.06,  0.37,  0.20)
172:     torsion ( -0.074,   0.042,   0.042)  ( -0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -1.879,  -3.603,   2.535)  ( -1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (475.989, -552.554, 341.770)  (476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
172:     bond    (473.237, -551.537, 337.686)  (473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
172:     angle   (  0.489,   0.094,   0.027)  (  0.499,   0.101,   0.035)  ( 0.50,  0.06,  0.02)
172:     torsion (  0.033,  -0.048,  -0.041)  (  0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
172:     vdw     (  2.230,  -1.064,   4.099)  (  2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       (552.444, -341.903, -476.173)  (552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
172:     bond    (551.443, -337.801, -473.399)  (551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
172:     angle   ( -0.107,  -0.043,  -0.509)  ( -0.101,  -0.035,  -0.499)  ( 0.07,  0.03,  0.52)
172:     torsion (  0.045,   0.040,  -0.034)  (  0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
172:     vdw     (  1.064,  -4.099,  -2.230)  (  1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 14       (-211.337, 129.863, -763.780)  (-211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
172:     bond    (-208.536, 131.714, -760.656)  (-208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
172:     angle   ( -0.222,   0.101,   0.436)  ( -0.212,   0.107,   0.445)  ( 0.22,  0.06,  0.37)
172:     torsion ( -0.044,  -0.074,   0.042)  ( -0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.535,  -1.879,  -3.603)  ( -2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 15       (552.444, -341.903, 475.989)  (552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
172:     bond    (551.443, -337.801, 473.237)  (551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
172:     angle   ( -0.107,  -0.043,   0.489)  ( -0.101,  -0.035,   0.499)  ( 0.07,  0.03,  0.50)
172:     torsion (  0.045,   0.040,   0.033)  (  0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
172:     vdw     (  1.064,  -4.099,   2.230)  (  1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 16       (-682.022, 423.048,  -0.090)  (-681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
172:     bond    (-677.189, 423.212,  -0.078)  (-677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
172:     angle   ( -0.091,   0.287,  -0.011)  ( -0.082,   0.291,   0.000)  ( 0.09,  0.11,  0.01)
172:     torsion (  0.015,   0.048,  -0.001)  (  0.015,   0.050,  -0.000)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -4.757,  -0.499,  -0.000)  ( -4.757,  -0.499,  -0.000)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 17       (341.770, -476.173, -552.554)  (341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
172:     bond    (337.686, -473.399, -551.537)  (337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
172:     angle   (  0.027,  -0.509,   0.094)  (  0.035,  -0.499,   0.101)  ( 0.02,  0.52,  0.06)
172:     torsion ( -0.041,  -0.034,  -0.048)  ( -0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
172:     vdw     (  4.099,  -2.230,  -1.064)  (  4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 18       (-476.173, 552.444, 341.770)  (-476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
172:     bond    (-473.399, 551.443, 337.686)  (-473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
172:     angle   ( -0.509,  -0.107,   0.027)  ( -0.499,  -0.101,   0.035)  ( 0.52,  0.07,  0.02)
172:     torsion ( -0.034,   0.045,  -0.041)  ( -0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.230,   1.064,   4.099)  ( -2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 19       (-211.337, 129.863, 763.591)  (-211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
172:     bond    (-208.536, 131.714, 760.485)  (-208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
172:     angle   ( -0.222,   0.101,  -0.453)  ( -0.212,   0.107,  -0.445)  ( 0.22,  0.06,  0.38)
172:     torsion ( -0.044,  -0.074,  -0.043)  ( -0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.535,  -1.879,   3.603)  ( -2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       (211.175, 129.863, -763.780)  (211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
172:     bond    (208.396, 131.714, -760.656)  (208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
172:     angle   (  0.202,   0.101,   0.436)  (  0.212,   0.107,   0.445)  ( 0.20,  0.06,  0.37)
172:     torsion (  0.042,  -0.074,   0.042)  (  0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
172:     vdw     (  2.535,  -1.879,  -3.603)  (  2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 21       (341.770, 475.989, -552.554)  (341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
172:     bond    (337.686, 473.237, -551.537)  (337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
172:     angle   (  0.027,   0.489,   0.094)  (  0.035,   0.499,   0.101)  ( 0.02,  0.50,  0.06)
172:     torsion ( -0.041,   0.033,  -0.048)  ( -0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
172:     vdw     (  4.099,   2.230,  -1.064)  (  4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 22       (423.048,  -0.090, 681.819)  (423.070,  -0.000, 681.921)  ( 0.01,  0.82,  0.01)
172:     bond    (423.212,  -0.078, 677.006)  (423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
172:     angle   (  0.287,  -0.011,   0.072)  (  0.291,  -0.000,   0.082)  ( 0.11,  0.01,  0.07)
172:     torsion (  0.048,  -0.001,  -0.016)  (  0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -0.499,  -0.000,   4.757)  ( -0.499,  -0.000,   4.757)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 23       (552.444, 341.770, -476.173)  (552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
172:     bond    (551.443, 337.686, -473.399)  (551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
172:     angle   ( -0.107,   0.027,  -0.509)  ( -0.101,   0.035,  -0.499)  ( 0.07,  0.02,  0.52)
172:     torsion (  0.045,  -0.041,  -0.034)  (  0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
172:     vdw     (  1.064,   4.099,  -2.230)  (  1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 24       (-129.938, -763.780, 211.175)  (-129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
172:     bond    (-131.774, -760.656, 208.396)  (-131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
172:     angle   ( -0.114,   0.436,   0.202)  ( -0.107,   0.445,   0.212)  ( 0.07,  0.37,  0.20)
172:     torsion (  0.071,   0.042,   0.042)  (  0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
172:     vdw     (  1.878,  -3.603,   2.535)  (  1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 25       (-211.337, -129.938, -763.780)  (-211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
172:     bond    (-208.536, -131.774, -760.656)  (-208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
172:     angle   ( -0.222,  -0.114,   0.436)  ( -0.212,  -0.107,   0.445)  ( 0.22,  0.07,  0.37)
172:     torsion ( -0.044,   0.071,   0.042)  ( -0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.535,   1.878,  -3.603)  ( -2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 26       (-476.173, -552.554, 341.770)  (-476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
172:     bond    (-473.399, -551.537, 337.686)  (-473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
172:     angle   ( -0.509,   0.094,   0.027)  ( -0.499,   0.101,   0.035)  ( 0.52,  0.06,  0.02)
172:     torsion ( -0.034,  -0.048,  -0.041)  ( -0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.230,  -1.064,   4.099)  ( -2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 27       (552.444, 341.770, 475.989)  (552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
172:     bond    (551.443, 337.686, 473.237)  (551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
172:     angle   ( -0.107,   0.027,   0.489)  ( -0.101,   0.035,   0.499)  ( 0.07,  0.02,  0.50)
172:     torsion (  0.045,  -0.041,   0.033)  (  0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
172:     vdw     (  1.064,   4.099,   2.230)  (  1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 28       (-682.022, -423.091,  -0.090)  (-681.921, -423.070,   0.000)  ( 0.01,  0.01,  0.82)
172:     bond    (-677.189, -423.243,  -0.078)  (-677.098, -423.228,   0.000)  ( 0.01,  0.00,  0.61)
172:     angle   ( -0.091,  -0.295,  -0.011)  ( -0.082,  -0.291,   0.000)  ( 0.09,  0.12,  0.01)
172:     torsion (  0.015,  -0.052,  -0.001)  (  0.015,  -0.050,   0.000)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -4.757,   0.499,  -0.000)  ( -4.757,   0.499,  -0.000)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 29       (211.175, -129.938, -763.780)  (211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
172:     bond    (208.396, -131.774, -760.656)  (208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
172:     angle   (  0.202,  -0.114,   0.436)  (  0.212,  -0.107,   0.445)  ( 0.20,  0.07,  0.37)
172:     torsion (  0.042,   0.071,   0.042)  (  0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
172:     vdw     (  2.535,   1.878,  -3.603)  (  2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 30       (681.819, 423.048,  -0.090)  (681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
172:     bond    (677.006, 423.212,  -0.078)  (677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
172:     angle   (  0.072,   0.287,  -0.011)  (  0.082,   0.291,   0.000)  ( 0.07,  0.11,  0.01)
172:     torsion ( -0.016,   0.048,  -0.001)  ( -0.015,   0.050,   0.000)  ( 0.00,  0.01,  0.00)
172:     vdw     (  4.757,  -0.499,  -0.000)  (  4.757,  -0.499,   0.000)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 31       (423.048,  -0.090, -682.022)  (423.070,  -0.000, -681.921)  ( 0.01,  0.82,  0.01)
172:     bond    (423.212,  -0.078, -677.189)  (423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
172:     angle   (  0.287,  -0.011,  -0.091)  (  0.291,   0.000,  -0.082)  ( 0.11,  0.01,  0.09)
172:     torsion (  0.048,  -0.001,   0.015)  (  0.050,   0.000,   0.015)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -0.499,  -0.000,  -4.757)  ( -0.499,  -0.000,  -4.757)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 32       (-129.938, 763.591, 211.175)  (-129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
172:     bond    (-131.774, 760.485, 208.396)  (-131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
172:     angle   ( -0.114,  -0.453,   0.202)  ( -0.107,  -0.445,   0.212)  ( 0.07,  0.38,  0.20)
172:     torsion (  0.071,  -0.043,   0.042)  (  0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
172:     vdw     (  1.878,   3.603,   2.535)  (  1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 33       (-211.337, -129.938, 763.591)  (-211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
172:     bond    (-208.536, -131.774, 760.485)  (-208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
172:     angle   ( -0.222,  -0.114,  -0.453)  ( -0.212,  -0.107,  -0.445)  ( 0.22,  0.07,  0.38)
172:     torsion ( -0.044,   0.071,  -0.043)  ( -0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.535,   1.878,   3.603)  ( -2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 34       (681.819, -423.091,  -0.090)  (681.921, -423.070,   0.000)  ( 0.01,  0.01,  0.82)
172:     bond    (677.006, -423.243,  -0.078)  (677.098, -423.228,   0.000)  ( 0.01,  0.00,  0.61)
172:     angle   (  0.072,  -0.295,  -0.011)  (  0.082,  -0.291,   0.000)  ( 0.07,  0.12,  0.01)
172:     torsion ( -0.016,  -0.052,  -0.001)  ( -0.015,  -0.050,  -0.000)  ( 0.00,  0.01,  0.00)
172:     vdw     (  4.757,   0.499,  -0.000)  (  4.757,   0.499,   0.000)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 35       (-552.554, 341.770, -476.173)  (-552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
172:     bond    (-551.537, 337.686, -473.399)  (-551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
172:     angle   (  0.094,   0.027,  -0.509)  (  0.101,   0.035,  -0.499)  ( 0.06,  0.02,  0.52)
172:     torsion ( -0.048,  -0.041,  -0.034)  ( -0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -1.064,   4.099,  -2.230)  ( -1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 36       (-552.554, 341.770, 475.989)  (-552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
172:     bond    (-551.537, 337.686, 473.237)  (-551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
172:     angle   (  0.094,   0.027,   0.489)  (  0.101,   0.035,   0.499)  ( 0.06,  0.02,  0.50)
172:     torsion ( -0.048,  -0.041,   0.033)  ( -0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -1.064,   4.099,   2.230)  ( -1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 37       (-423.091,  -0.090, 681.819)  (-423.070,   0.000, 681.921)  ( 0.01,  0.82,  0.01)
172:     bond    (-423.243,  -0.078, 677.006)  (-423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
172:     angle   ( -0.295,  -0.011,   0.072)  ( -0.291,   0.000,   0.082)  ( 0.12,  0.01,  0.07)
172:     torsion ( -0.052,  -0.001,  -0.016)  ( -0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
172:     vdw     (  0.499,  -0.000,   4.757)  (  0.499,   0.000,   4.757)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 38       (-552.554, -341.903, -476.173)  (-552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
172:     bond    (-551.537, -337.801, -473.399)  (-551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
172:     angle   (  0.094,  -0.043,  -0.509)  (  0.101,  -0.035,  -0.499)  ( 0.06,  0.03,  0.52)
172:     torsion ( -0.048,   0.040,  -0.034)  ( -0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -1.064,  -4.099,  -2.230)  ( -1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 39       (-552.554, -341.903, 475.989)  (-552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
172:     bond    (-551.537, -337.801, 473.237)  (-551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
172:     angle   (  0.094,  -0.043,   0.489)  (  0.101,  -0.035,   0.499)  ( 0.06,  0.03,  0.50)
172:     torsion ( -0.048,   0.040,   0.033)  ( -0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -1.064,  -4.099,   2.230)  ( -1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 40       (211.175, -129.938, 763.591)  (211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
172:     bond    (208.396, -131.774, 760.485)  (208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
172:     angle   (  0.202,  -0.114,  -0.453)  (  0.212,  -0.107,  -0.445)  ( 0.20,  0.07,  0.38)
172:     torsion (  0.042,   0.071,  -0.043)  (  0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
172:     vdw     (  2.535,   1.878,   3.603)  (  2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 41       (-476.173, -552.554, -341.903)  (-476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
172:     bond    (-473.399, -551.537, -337.801)  (-473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
172:     angle   ( -0.509,   0.094,  -0.043)  ( -0.499,   0.101,  -0.035)  ( 0.52,  0.06,  0.03)
172:     torsion ( -0.034,  -0.048,   0.040)  ( -0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.230,  -1.064,  -4.099)  ( -2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 42       (-763.780, 211.175, 129.863)  (-763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
172:     bond    (-760.656, 208.396, 131.714)  (-760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
172:     angle   (  0.436,   0.202,   0.101)  (  0.445,   0.212,   0.107)  ( 0.37,  0.20,  0.06)
172:     torsion (  0.042,   0.042,  -0.074)  (  0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -3.603,   2.535,  -1.879)  ( -3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 43       (475.989, -552.554, -341.903)  (476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
172:     bond    (473.237, -551.537, -337.801)  (473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
172:     angle   (  0.489,   0.094,  -0.043)  (  0.499,   0.101,  -0.035)  ( 0.50,  0.06,  0.03)
172:     torsion (  0.033,  -0.048,   0.040)  (  0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
172:     vdw     (  2.230,  -1.064,  -4.099)  (  2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 44       (129.863, 763.591, -211.337)  (129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
172:     bond    (131.714, 760.485, -208.536)  (131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
172:     angle   (  0.101,  -0.453,  -0.222)  (  0.107,  -0.445,  -0.212)  ( 0.06,  0.38,  0.22)
172:     torsion ( -0.074,  -0.043,  -0.044)  ( -0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -1.879,   3.603,  -2.535)  ( -1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 45       (-129.938, 763.591, -211.337)  (-129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
172:     bond    (-131.774, 760.485, -208.536)  (-131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
172:     angle   ( -0.114,  -0.453,  -0.222)  ( -0.107,  -0.445,  -0.212)  ( 0.07,  0.38,  0.22)
172:     torsion (  0.071,  -0.043,  -0.044)  (  0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
172:     vdw     (  1.878,   3.603,  -2.535)  (  1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 46       (129.863, -763.780, -211.337)  (129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
172:     bond    (131.714, -760.656, -208.536)  (131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
172:     angle   (  0.101,   0.436,  -0.222)  (  0.107,   0.445,  -0.212)  ( 0.06,  0.37,  0.22)
172:     torsion ( -0.074,   0.042,  -0.044)  ( -0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -1.879,  -3.603,  -2.535)  ( -1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 47       (-341.903, -476.173, 552.444)  (-341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
172:     bond    (-337.801, -473.399, 551.443)  (-337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
172:     angle   ( -0.043,  -0.509,  -0.107)  ( -0.035,  -0.499,  -0.101)  ( 0.03,  0.52,  0.07)
172:     torsion (  0.040,  -0.034,   0.045)  (  0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -4.099,  -2.230,   1.064)  ( -4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 48       (-423.091,  -0.090, -682.022)  (-423.070,   0.000, -681.921)  ( 0.01,  0.82,  0.01)
172:     bond    (-423.243,  -0.078, -677.189)  (-423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
172:     angle   ( -0.295,  -0.011,  -0.091)  ( -0.291,   0.000,  -0.082)  ( 0.12,  0.01,  0.09)
172:     torsion ( -0.052,  -0.001,   0.015)  ( -0.050,   0.000,   0.015)  ( 0.01,  0.00,  0.00)
172:     vdw     (  0.499,  -0.000,  -4.757)  (  0.499,   0.000,  -4.757)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 49       (211.175, 129.863, 763.591)  (211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
172:     bond    (208.396, 131.714, 760.485)  (208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
172:     angle   (  0.202,   0.101,  -0.453)  (  0.212,   0.107,  -0.445)  ( 0.20,  0.06,  0.38)
172:     torsion (  0.042,  -0.074,  -0.043)  (  0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
172:     vdw     (  2.535,  -1.879,   3.603)  (  2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 50       (-476.173, 552.444, -341.903)  (-476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
172:     bond    (-473.399, 551.443, -337.801)  (-473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
172:     angle   ( -0.509,  -0.107,  -0.043)  ( -0.499,  -0.101,  -0.035)  ( 0.52,  0.07,  0.03)
172:     torsion ( -0.034,   0.045,   0.040)  ( -0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.230,   1.064,  -4.099)  ( -2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 51       (-129.938, -763.780, -211.337)  (-129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
172:     bond    (-131.774, -760.656, -208.536)  (-131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
172:     angle   ( -0.114,   0.436,  -0.222)  ( -0.107,   0.445,  -0.212)  ( 0.07,  0.37,  0.22)
172:     torsion (  0.071,   0.042,  -0.044)  (  0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
172:     vdw     (  1.878,  -3.603,  -2.535)  (  1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 52       (341.770, -476.173, 552.444)  (341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
172:     bond    (337.686, -473.399, 551.443)  (337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
172:     angle   (  0.027,  -0.509,  -0.107)  (  0.035,  -0.499,  -0.101)  ( 0.02,  0.52,  0.07)
172:     torsion ( -0.041,  -0.034,   0.045)  ( -0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
172:     vdw     (  4.099,  -2.230,   1.064)  (  4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 53       (763.591, 211.175, 129.863)  (763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
172:     bond    (760.485, 208.396, 131.714)  (760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
172:     angle   ( -0.453,   0.202,   0.101)  ( -0.445,   0.212,   0.107)  ( 0.38,  0.20,  0.06)
172:     torsion ( -0.043,   0.042,  -0.074)  ( -0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
172:     vdw     (  3.603,   2.535,  -1.879)  (  3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 54       ( -0.090, 681.819, 423.048)  (  0.000, 681.921, 423.070)  ( 0.82,  0.01,  0.01)
172:     bond    ( -0.078, 677.006, 423.212)  (  0.000, 677.098, 423.228)  ( 0.61,  0.01,  0.00)
172:     angle   ( -0.011,   0.072,   0.287)  (  0.000,   0.082,   0.291)  ( 0.01,  0.07,  0.11)
172:     torsion ( -0.001,  -0.016,   0.048)  (  0.000,  -0.015,   0.050)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.000,   4.757,  -0.499)  ( -0.000,   4.757,  -0.499)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 55       (341.770, 475.989, 552.444)  (341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
172:     bond    (337.686, 473.237, 551.443)  (337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
172:     angle   (  0.027,   0.489,  -0.107)  (  0.035,   0.499,  -0.101)  ( 0.02,  0.50,  0.07)
172:     torsion ( -0.041,   0.033,   0.045)  ( -0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
172:     vdw     (  4.099,   2.230,   1.064)  (  4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 56       (-341.903, 475.989, 552.444)  (-341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
172:     bond    (-337.801, 473.237, 551.443)  (-337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
172:     angle   ( -0.043,   0.489,  -0.107)  ( -0.035,   0.499,  -0.101)  ( 0.03,  0.50,  0.07)
172:     torsion (  0.040,   0.033,   0.045)  (  0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -4.099,   2.230,   1.064)  ( -4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 57       (475.989, 552.444, -341.903)  (476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
172:     bond    (473.237, 551.443, -337.801)  (473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
172:     angle   (  0.489,  -0.107,  -0.043)  (  0.499,  -0.101,  -0.035)  ( 0.50,  0.07,  0.03)
172:     torsion (  0.033,   0.045,   0.040)  (  0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
172:     vdw     (  2.230,   1.064,  -4.099)  (  2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 58       (-763.780, -211.337, 129.863)  (-763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
172:     bond    (-760.656, -208.536, 131.714)  (-760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
172:     angle   (  0.436,  -0.222,   0.101)  (  0.445,  -0.212,   0.107)  ( 0.37,  0.22,  0.06)
172:     torsion (  0.042,  -0.044,  -0.074)  (  0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -3.603,  -2.535,  -1.879)  ( -3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 59       (763.591, -211.337, 129.863)  (763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
172:     bond    (760.485, -208.536, 131.714)  (760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
172:     angle   ( -0.453,  -0.222,   0.101)  ( -0.445,  -0.212,   0.107)  ( 0.38,  0.22,  0.06)
172:     torsion ( -0.043,  -0.044,  -0.074)  ( -0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
172:     vdw     (  3.603,  -2.535,  -1.879)  (  3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 60       ( -0.090, -682.022, 423.048)  (  0.000, -681.921, 423.070)  ( 0.82,  0.01,  0.01)
172:     bond    ( -0.078, -677.189, 423.212)  (  0.000, -677.098, 423.228)  ( 0.61,  0.01,  0.00)
172:     angle   ( -0.011,  -0.091,   0.287)  (  0.000,  -0.082,   0.291)  ( 0.01,  0.09,  0.11)
172:     torsion ( -0.001,   0.015,   0.048)  (  0.000,   0.015,   0.050)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.000,  -4.757,  -0.499)  (  0.000,  -4.757,  -0.499)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 18 # gradients 
172: ok 19 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (-26.365,  -6.735,  -0.035)  (-26.271,  -6.630,  -0.032)  ( 0.36,  1.56,  0.01)
172:     bond    (-51.407, -21.524,  -0.453)  (-51.328, -21.431,  -0.453)  ( 0.15,  0.43,  0.00)
172:     angle   ( 28.516,  23.010,   2.629)  ( 28.532,  23.022,   2.628)  ( 0.05,  0.05,  0.02)
172:     torsion (  0.028,   0.027,  -2.311)  (  0.028,   0.027,  -2.306)  ( 0.00,  0.00,  0.18)
172:     vdw     ( -3.503,  -8.248,   0.099)  ( -3.503,  -8.248,   0.099)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       ( 42.577,  18.173,   0.053)  ( 42.671,  18.274,   0.057)  ( 0.22,  0.56,  0.02)
172:     bond    ( 79.259, -24.256,  -0.982)  ( 79.338, -24.166,  -0.981)  ( 0.10,  0.37,  0.03)
172:     angle   (-31.061,  47.195,   3.394)  (-31.046,  47.207,   3.394)  ( 0.05,  0.02,  0.01)
172:     torsion ( -0.034,   0.018,  -1.739)  ( -0.034,   0.018,  -1.736)  ( 0.00,  0.00,  0.20)
172:     vdw     ( -5.588,  -4.785,  -0.620)  ( -5.587,  -4.784,  -0.620)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       (1481.239, -10.907, -17.547)  (1481.306, -10.812, -17.538)  ( 0.00,  0.88,  0.05)
172:     bond    (1482.386,  49.293, -17.062)  (1482.436,  49.379, -17.056)  ( 0.00,  0.17,  0.03)
172:     angle   ( -3.766, -60.057,  -0.119)  ( -3.750, -60.047,  -0.117)  ( 0.43,  0.02,  0.02)
172:     torsion (  0.015,  -0.012,  -0.359)  (  0.015,  -0.012,  -0.357)  ( 0.00,  0.00,  0.09)
172:     vdw     (  2.605,  -0.132,  -0.008)  (  2.605,  -0.132,  -0.008)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (218.197, 351.442,  -5.584)  (218.285, 351.514,  -5.579)  ( 0.04,  0.02,  0.09)
172:     bond    (156.798, 315.167,  -4.502)  (156.875, 315.223,  -4.500)  ( 0.05,  0.02,  0.06)
172:     angle   ( 55.844,  32.080,  -0.601)  ( 55.856,  32.094,  -0.601)  ( 0.02,  0.05,  0.00)
172:     torsion ( -0.002,  -0.005,   0.943)  ( -0.002,  -0.005,   0.946)  ( 0.00,  0.00,  0.24)
172:     vdw     (  5.556,   4.201,  -1.424)  (  5.556,   4.201,  -1.424)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-203.363, -391.514,  -1.242)  (-203.352, -391.496,  -1.239)  ( 0.01,  0.00,  0.19)
172:     bond    (-224.009, -386.559,   5.182)  (-224.002, -386.542,   5.184)  ( 0.00,  0.00,  0.04)
172:     angle   ( -4.111,   2.380,   0.062)  ( -4.107,   2.381,   0.062)  ( 0.08,  0.05,  0.00)
172:     torsion (  0.004,   0.005,   0.542)  (  0.004,   0.005,   0.542)  ( 0.00,  0.00,  0.03)
172:     vdw     ( 24.753,  -7.340,  -7.027)  ( 24.754,  -7.340,  -7.027)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (-745.376, 1325.888, -16.743)  (-745.286, 1325.961, -16.734)  ( 0.01,  0.01,  0.06)
172:     bond    (-680.841, 1288.888, -17.462)  (-680.761, 1288.945, -17.456)  ( 0.01,  0.00,  0.03)
172:     angle   (-62.286,  33.325,   2.422)  (-62.276,  33.341,   2.424)  ( 0.02,  0.05,  0.06)
172:     torsion ( -0.001,  -0.005,  -1.701)  ( -0.001,  -0.005,  -1.699)  ( 0.00,  0.00,  0.14)
172:     vdw     ( -2.248,   3.679,  -0.003)  ( -2.248,   3.679,  -0.003)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       (-379.576,  -9.468,  -4.080)  (-379.510,  -9.372,  -4.075)  ( 0.02,  1.02,  0.12)
172:     bond    (-388.385,  67.010,  -2.879)  (-388.333,  67.095,  -2.877)  ( 0.01,  0.13,  0.08)
172:     angle   (  9.372, -71.185,  -1.456)  (  9.385, -71.173,  -1.456)  ( 0.14,  0.02,  0.03)
172:     torsion ( -0.012,  -0.012,   1.120)  ( -0.012,  -0.012,   1.123)  ( 0.00,  0.00,  0.27)
172:     vdw     ( -0.551,  -5.281,  -0.866)  ( -0.550,  -5.281,  -0.866)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (437.367, -12.590,   0.525)  (437.388, -12.583,   0.527)  ( 0.00,  0.06,  0.12)
172:     bond    (440.100,  -5.846,   2.920)  (440.121,  -5.844,   2.922)  ( 0.00,  0.03,  0.06)
172:     angle   (  0.050,   3.730,  -0.126)  (  0.050,   3.734,  -0.126)  ( 0.00,  0.12,  0.00)
172:     torsion ( -0.001,   0.001,   0.156)  ( -0.001,   0.001,   0.157)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -2.782, -10.475,  -2.426)  ( -2.782, -10.474,  -2.426)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  9       (-1298.501, -414.353, -25.601)  (-1298.426, -414.267, -25.591)  ( 0.01,  0.02,  0.04)
172:     bond    (-1389.179, -512.381, -26.576)  (-1389.117, -512.307, -26.570)  ( 0.00,  0.01,  0.02)
172:     angle   ( 90.035,  97.583,   1.312)  ( 90.048,  97.595,   1.314)  ( 0.02,  0.01,  0.15)
172:     torsion ( -0.002,   0.019,  -0.340)  ( -0.002,   0.019,  -0.338)  ( 0.00,  0.00,  0.08)
172:     vdw     (  0.645,   0.427,   0.003)  (  0.645,   0.427,   0.003)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 10       (-172.645,  75.624,   0.228)  (-172.591,  75.695,   0.232)  ( 0.03,  0.09,  0.08)
172:     bond    (-98.169,   9.837,   0.225)  (-98.126,   9.903,   0.225)  ( 0.04,  0.68,  0.01)
172:     angle   (-68.504,  69.057,  -0.619)  (-68.494,  69.061,  -0.617)  ( 0.02,  0.01,  0.11)
172:     torsion (  0.018,  -0.014,   1.257)  (  0.018,  -0.014,   1.258)  ( 0.00,  0.00,  0.09)
172:     vdw     ( -5.989,  -3.255,  -0.635)  ( -5.989,  -3.255,  -0.635)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       ( -1.370, -112.984,  -1.408)  ( -1.281, -112.907,  -1.405)  ( 6.45,  0.07,  0.18)
172:     bond    ( 10.704,  61.334,   0.663)  ( 10.779,  61.399,   0.664)  ( 0.70,  0.10,  0.05)
172:     angle   (-16.150, -176.774,  -2.413)  (-16.137, -176.761,  -2.413)  ( 0.08,  0.01,  0.01)
172:     torsion ( -0.004,  -0.005,   0.241)  ( -0.004,  -0.005,   0.243)  ( 0.00,  0.00,  0.05)
172:     vdw     (  4.081,   2.460,   0.102)  (  4.081,   2.460,   0.102)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (1511.671, 514.801,  32.839)  (1511.714, 514.855,  32.892)  ( 0.00,  0.01,  0.16)
172:     bond    (1515.153, 517.997,  31.429)  (1515.184, 518.038,  31.470)  ( 0.00,  0.01,  0.13)
172:     angle   ( -2.913,  -1.712,   0.561)  ( -2.901,  -1.699,   0.572)  ( 0.43,  0.76,  0.58)
172:     torsion ( -0.009,  -0.018,   0.871)  ( -0.009,  -0.018,   0.871)  ( 0.00,  0.00,  0.03)
172:     vdw     ( -0.560,  -1.465,  -0.022)  ( -0.560,  -1.465,  -0.022)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       (-1597.410, -19.629,  16.286)  (-1597.368, -19.574,  16.339)  ( 0.00,  0.28,  0.32)
172:     bond    (-1606.438, -16.395,  16.722)  (-1606.408, -16.353,  16.764)  ( 0.00,  0.25,  0.25)
172:     angle   (  6.182,   1.035,  -0.764)  (  6.194,   1.048,  -0.753)  ( 0.20,  1.27,  0.80)
172:     torsion (  0.004,   0.001,   0.323)  (  0.004,   0.001,   0.323)  ( 0.00,  0.00,  0.01)
172:     vdw     (  2.842,  -4.270,   0.006)  (  2.843,  -4.270,   0.006)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 14       (767.883, -1400.424,  14.698)  (767.935, -1400.378,  14.751)  ( 0.01,  0.00,  0.36)
172:     bond    (773.726, -1413.341,  15.101)  (773.765, -1413.308,  15.143)  ( 0.01,  0.00,  0.28)
172:     angle   ( -2.491,   8.410,  -1.096)  ( -2.478,   8.422,  -1.085)  ( 0.52,  0.15,  0.96)
172:     torsion ( -0.003,   0.007,   0.696)  ( -0.003,   0.007,   0.696)  ( 0.00,  0.00,  0.02)
172:     vdw     ( -3.349,   4.500,  -0.003)  ( -3.348,   4.501,  -0.003)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 15       (  2.573,  35.827,   0.685)  (  2.579,  35.856,   0.685)  ( 0.23,  0.08,  0.03)
172:     bond    ( -0.167,  36.326,   0.800)  ( -0.167,  36.355,   0.800)  ( 0.00,  0.08,  0.01)
172:     angle   ( -1.606,   0.002,  -0.444)  ( -1.600,   0.002,  -0.444)  ( 0.35,  0.00,  0.01)
172:     torsion (  0.001,  -0.006,   0.275)  (  0.001,  -0.006,   0.276)  ( 0.00,  0.00,  0.01)
172:     vdw     (  4.345,  -0.496,   0.053)  (  4.345,  -0.496,   0.053)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 16       ( -5.358, -55.102,  -3.092)  ( -5.354, -55.074,  -3.088)  ( 0.06,  0.05,  0.13)
172:     bond    ( -0.905, -54.774,  -2.312)  ( -0.905, -54.746,  -2.313)  ( 0.02,  0.05,  0.01)
172:     angle   (  2.713,  -0.017,  -0.653)  (  2.717,  -0.017,  -0.649)  ( 0.12,  0.00,  0.27)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -7.166,  -0.310,  -0.127)  ( -7.166,  -0.310,  -0.127)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 17       (-23.805,  13.685,  42.227)  (-23.797,  13.691,  42.247)  ( 0.04,  0.04,  0.05)
172:     bond    (-23.472,  15.259,  41.413)  (-23.466,  15.262,  41.432)  ( 0.03,  0.02,  0.05)
172:     angle   (  0.354,  -0.124,   0.245)  (  0.356,  -0.120,   0.246)  ( 0.09,  0.04,  0.03)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.687,  -1.450,   0.570)  ( -0.687,  -1.450,   0.570)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 18       (-26.013,  17.980, -45.828)  (-26.004,  17.987, -45.809)  ( 0.03,  0.04,  0.04)
172:     bond    (-25.679,  20.707, -44.275)  (-25.673,  20.711, -44.257)  ( 0.02,  0.02,  0.04)
172:     angle   (  0.650,  -0.562,  -0.642)  (  0.653,  -0.559,  -0.640)  ( 0.17,  0.19,  0.09)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.984,  -2.165,  -0.912)  ( -0.984,  -2.165,  -0.912)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 19       ( 18.649,  13.540, -51.805)  ( 18.654,  13.545, -51.781)  ( 0.03,  0.04,  0.05)
172:     bond    ( 17.904,  14.252, -51.223)  ( 17.907,  14.254, -51.200)  ( 0.01,  0.01,  0.05)
172:     angle   ( -0.297,   0.111,  -0.072)  ( -0.295,   0.115,  -0.071)  ( 0.09,  0.04,  0.00)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  1.042,  -0.823,  -0.511)  (  1.042,  -0.823,  -0.511)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       ( 26.856, -48.497,  14.020)  ( 26.862, -48.474,  14.025)  ( 0.02,  0.05,  0.04)
172:     bond    ( 19.705, -50.862,  13.120)  ( 19.708, -50.840,  13.122)  ( 0.02,  0.04,  0.01)
172:     angle   ( -4.217,  -1.717,  -0.326)  ( -4.214,  -1.717,  -0.322)  ( 0.07,  0.04,  0.13)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 11.368,   4.083,   1.226)  ( 11.368,   4.083,   1.226)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 21       ( 26.291,  34.034,  41.064)  ( 26.297,  34.049,  41.078)  ( 0.02,  0.04,  0.04)
172:     bond    ( 19.193,  38.169,  38.169)  ( 19.196,  38.181,  38.181)  ( 0.01,  0.03,  0.03)
172:     angle   ( -1.707,   1.023,  -0.171)  ( -1.704,   1.026,  -0.169)  ( 0.17,  0.22,  0.04)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  8.805,  -5.158,   3.066)  (  8.806,  -5.158,   3.066)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 22       (-45.738,   8.622,  38.333)  (-45.719,   8.625,  38.345)  ( 0.04,  0.04,  0.03)
172:     bond    (-45.865,  -2.697,  34.786)  (-45.848,  -2.697,  34.796)  ( 0.04,  0.01,  0.03)
172:     angle   ( -0.123,  -3.161,  -0.408)  ( -0.122,  -3.158,  -0.406)  ( 0.02,  0.11,  0.11)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.251,  14.480,   3.955)  (  0.251,  14.480,   3.955)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 23       (  7.676,  59.393,  23.469)  (  7.690,  59.410,  23.476)  ( 0.17,  0.03,  0.03)
172:     bond    ( 35.496,  42.507,  18.313)  ( 35.506,  42.521,  18.315)  ( 0.03,  0.03,  0.01)
172:     angle   (  5.136,  -3.971,  -0.748)  (  5.138,  -3.970,  -0.744)  ( 0.04,  0.04,  0.28)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (-32.955,  20.858,   5.905)  (-32.954,  20.858,   5.905)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 24       (-16.429,  12.100, -51.807)  (-16.423,  12.105, -51.782)  ( 0.04,  0.04,  0.05)
172:     bond    (-16.682,  10.967, -51.378)  (-16.680,  10.968, -51.354)  ( 0.01,  0.01,  0.05)
172:     angle   (  0.190,   0.171,  -0.026)  (  0.194,   0.174,  -0.026)  ( 0.07,  0.06,  0.00)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.063,   0.962,  -0.403)  (  0.063,   0.962,  -0.403)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 20 # gradients 
172: ok 21 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (-43.157, -57.858, -15.760)  (-43.113, -57.813, -15.714)  ( 0.10,  0.08,  0.29)
173:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
173:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
173:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
173:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
173:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
173:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
173:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
173:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
173:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
173:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
173:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
173:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
173:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
173:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
173:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
173:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
173:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
173:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
173:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
173:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
173:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
173:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 12 # gradients 
173: ok 13 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
173:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
173:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
173:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
173:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
173:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
173:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
173:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
173:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
173:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
173:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
173:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
173:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
173:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
173:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
173:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
173:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
173:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
173:  4       (  0.395,   0.197,   0.303)  (  0.400,   0.409,   0.172)  ( 0.21,  4.17,  3.96)
173:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
173:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
173:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
173:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
173:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
173:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
173:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
173:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
173:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
173:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
173:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
173:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
173:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
173:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
173:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
173:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
173:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
173:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
173:  7       ( -0.284,  -0.843,  -2.698)  ( -0.304,  -1.685,  -2.039)  ( 0.58, 70.96, 24.42)
173:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
173:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
173:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
173:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
173:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
173:  8       ( -2.332,   4.648,   9.846)  ( -2.311,   5.541,   9.465)  ( 0.92, 19.20,  3.87)
173:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
173:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
173:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
173:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
173:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
173:  9       (  2.586,  -3.839,  -7.626)  (  2.603,  -4.121,  -7.463)  ( 0.65,  7.34,  2.13)
173:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
173:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
173:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
173:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
173: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
173:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
173:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
173:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
173:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
173:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
173:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
173: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
173:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
173:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
173:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
173:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
173:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
173:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
173: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
173:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
173:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
173:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
173:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
173:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
173:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
173: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
173:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
173:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
173:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
173:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
173:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
173:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
173: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
173:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
173:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
173:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
173:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
173:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
173:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
173: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
173:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
173:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
173:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
173:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
173:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
173: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
173:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
173:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
173:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
173:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
173:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
173: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
173:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
173:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
173:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
173:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
173:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
173: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
173:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
173:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
173:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
173:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
173:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
173:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
173: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
173:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
173:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
173:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
173:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
173:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
173: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
173:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
173:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
173:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
173:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
173:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
173: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
173:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
173:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
173:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
173:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
173:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
173: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
173:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
173:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
173:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
173:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
173:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
173:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
173:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
173:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
173:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
173:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
173:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
173:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
173:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
173: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
173:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
173:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
173:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
173:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
173:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
173:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
173:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
173:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
173:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
173: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
173:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
173:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
173:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
173:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
173:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
173:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
173:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
173:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
173:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
173: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
173:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
173:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
173:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
173:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
173:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
173:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
173: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
173:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
173:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
173:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
173:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
173:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
173:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
173: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
173:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
173:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
173:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
173:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
173:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
173:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
173: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
173:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
173:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
173:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
173:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
173:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
173:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
173: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
173:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
173:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
173:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
173:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
173: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
173:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
173:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
173:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
173:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
173:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
173: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
173:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
173:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
173:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
173: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
173:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
173:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
173:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
173:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
173:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
173: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
173:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
173:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
173:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
173:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
173:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
173:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
173: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
173:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
173:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
173:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
173:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
173: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
173:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
173:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
173:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
173:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
173: 40       ( -0.101,   0.325,   0.544)  ( -0.076,   0.526,   0.340)  ( 0.26,  6.53, 11.09)
173:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
173:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
173:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
173:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
173: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
173:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
173:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
173:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
173:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
173: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
173:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
173:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
173:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
173:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
173: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
173:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
173:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
173:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
173: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
173:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
173:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
173:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
173:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
173:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
173: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
173:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
173:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
173:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
173:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
173:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
173:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
173: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
173:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
173:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
173:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
173:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
173: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
173:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
173:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
173:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
173:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
173:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
173:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
173:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
173:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
173:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
173:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
173:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
173:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
173:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
173:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
173:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
173:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
173:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
173:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
173:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
173:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
173:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
173:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
173:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
173:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
173:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
173:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
173:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
173:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
173:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
173:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
173:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
173:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
173:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
173:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
173:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
173:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
173:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
173:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
173:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
173:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
173:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
173:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
173:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
173:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
173:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
173:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
173:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
173:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
173:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
173:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
173:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
173:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
173:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
173: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
173:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
173:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
173:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
173:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
173: ok 14 # gradients 
173: ok 15 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
173:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
173:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
173:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
173:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
173:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
173:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
173:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
173:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
173:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
173:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
173:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
173:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
173:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
173:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
173:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
173:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
173:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
173:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
173:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
173:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
173:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
173:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
173:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
173:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
173:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
173:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
173:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
173:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
173:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
173:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
173:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
173:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
173:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
173:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
173:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
173:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
173:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
173:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
173:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
173:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
173:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
173:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
173:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
173:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
173:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
173:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
173:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
173:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
173:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
173:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
173:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
173:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
173:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
173:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
173:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
173:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
173:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
173:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
173:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
173:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
173:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
173:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
173: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
173:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
173:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
173:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
173:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
173: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
173:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
173:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
173:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
173:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
173:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
173: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
174:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
174:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
174:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
174:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
174:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
174:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
174:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
174:  2       ( -0.031,  -0.005,  -0.000)  ( -0.036,   0.000,   0.210)  ( 0.02,  0.00,  0.01)
174:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
174:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
174:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
174:     torsion (  0.950,   0.026,  -1.404)  (  0.950,   0.026,  -1.404)  ( 0.01,  0.00,  0.03)
174:     oop     (  0.109,   0.015,  -1.009)  (  0.099,   0.012,  -0.800)  ( 0.10,  0.00, 20.76)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (  0.030,  -0.079,  -0.004)  ( -0.460,  -0.155,   0.812)  ( 1.47,  0.60,  0.36)
174:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
174:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
174:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
174:     torsion ( -4.285,   0.335,   9.829)  ( -4.285,   0.335,   9.829)  ( 0.00,  0.00,  0.00)
174:     oop     (  3.601,   1.017,  -6.100)  (  3.104,   0.933,  -5.286)  (13.80,  8.25, 13.34)
174:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
174:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
174:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
174:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
174:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
174:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
174:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
174:  5       (  0.011,   0.000,   0.007)  (  0.314,   0.017,  -0.395)  ( 0.34,  0.00,  0.28)
174:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
174:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
174:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
174:     torsion (  2.685,  -0.730,  -3.574)  (  2.685,  -0.730,  -3.574)  ( 0.00,  0.00,  0.00)
174:     oop     ( -2.057,  -0.336,   2.792)  ( -1.758,  -0.320,   2.387)  (14.55,  0.54, 14.48)
174:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
174:  6       ( -0.032,   0.038,  -0.003)  (  0.117,   0.131,  -0.383)  ( 0.49,  0.35,  0.12)
174:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
174:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
174:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.960,   0.517,  -5.145)  (  0.960,   0.517,  -5.145)  ( 0.00,  0.00,  0.00)
174:     oop     ( -1.271,  -0.767,   3.004)  ( -1.123,  -0.679,   2.624)  (11.64,  6.80, 12.66)
174:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
174:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
174:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
174:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
174:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
174:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
174:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
174:  8       ( -0.030,   0.041,  -0.031)  ( -0.521,   0.105,   0.787)  ( 1.48,  0.26,  2.57)
174:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
174:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
174:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
174:     torsion ( -4.280,  -0.668,   9.814)  ( -4.280,  -0.668,   9.814)  ( 0.00,  0.00,  0.00)
174:     oop     (  3.611,  -0.800,  -6.126)  (  3.114,  -0.745,  -5.311)  (13.78,  4.38, 13.32)
174:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
174:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
174:  9       (  0.044,  -0.007,   0.032)  (  0.346,  -0.007,  -0.371)  ( 1.32,  0.00,  1.28)
174:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
174:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
174:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
174:     torsion (  2.677,   0.863,  -3.551)  (  2.677,   0.863,  -3.551)  ( 0.00,  0.00,  0.00)
174:     oop     ( -2.060,   0.232,   2.800)  ( -1.761,   0.231,   2.396)  (14.53,  0.03, 14.45)
174:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
174: 10       ( -0.012,  -0.017,  -0.002)  (  0.139,  -0.089,  -0.384)  ( 0.17,  0.12,  0.07)
174:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
174:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
174:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.965,  -0.356,  -5.158)  (  0.965,  -0.356,  -5.158)  ( 0.00,  0.00,  0.00)
174:     oop     ( -1.278,   0.666,   3.025)  ( -1.130,   0.590,   2.642)  (11.64,  5.06, 12.65)
174:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
174:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
174: ok 12 # gradients 
174: ok 13 # energy 
174: ----------------------------------------------------------------------------------------
174:                                                                                         
174:   VALIDATE GRADIENTS : valwou.xyz
174:                                                                                         
174:                                                                                         
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
174:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
174:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
174:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
174:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
174:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
174:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
174:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
174:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
174:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
174:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
174:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
174:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
174:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
174:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
174:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
174:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
174:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
174:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
174:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
174:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
174:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
174:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
174:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
174:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
174:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
174:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
174:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
174:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
174:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
174:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
174:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
174:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
174:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
174:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
174:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
174:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
174:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
174:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
174:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
174:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
174:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
174:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
174:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
174:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
174:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
174:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
174:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
174: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
174:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
174:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
174:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
174: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
174:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
174:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
174:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
174:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
174:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
174: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
174:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
174:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
174:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
174:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
174:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
174: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
174:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
174:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
174:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
174:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
174:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
174:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
174:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
174:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
174:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
174: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
174:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
174:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
174:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
174:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
174:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
174:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
174:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
174:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
174:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
174: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
174:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
174:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
174:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
174:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
174:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
174:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
174:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
174:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
174:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
174:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
174:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
174:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
174:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
174:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
174:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
174:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
174:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
174:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
174:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
174:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
174:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
174:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
174:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
174:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
174:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
174:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
174:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
174:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
174:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
174:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
174:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
174:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
174:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
174:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
174:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
174:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
174:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
174:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
174:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
174:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
174:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
174:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
174:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
174:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
174:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
174:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
174:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
174:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 14 # gradients 
174: ok 15 # energy 
174: ----------------------------------------------------------------------------------------
174:                                                                                         
174:   VALIDATE GRADIENTS : vuwxug.xyz
174:                                                                                         
174:                                                                                         
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (  0.017,  -0.032,  -0.004)  (  0.360,   0.161,  -0.046)  ( 0.59,  0.62,  0.02)
174:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
174:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
174:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
174:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
174:     oop     ( -2.201,  -1.235,   0.352)  ( -1.859,  -1.045,   0.309)  (15.54, 15.42,  1.50)
174:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
174:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
174:  2       (  0.013,  -0.006,  -0.016)  (  0.100,   0.046,   0.007)  ( 0.12,  0.03,  0.04)
174:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
174:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
174:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
174:     torsion (  5.151,   1.716,  -0.095)  (  5.151,   1.716,  -0.095)  ( 0.01,  0.00,  0.00)
174:     oop     ( -0.825,  -0.292,  -0.005)  ( -0.739,  -0.246,   0.007)  ( 7.08,  1.34,  0.01)
174:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
174:  3       ( -0.030,   0.042,  -0.002)  ( -1.051,  -0.373,   0.176)  ( 3.08,  1.73,  0.04)
174:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
174:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
174:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
174:     torsion (-13.562,  -4.422,   0.317)  (-13.562,  -4.422,   0.317)  ( 0.00,  0.00,  0.00)
174:     oop     (  7.262,   2.827,  -1.384)  (  6.240,   2.406,  -1.213)  (14.07, 14.88, 12.33)
174:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
174:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
174:  4       ( -0.008,   0.003,  -0.019)  (  0.107,   0.035,  -0.019)  ( 0.09,  0.01,  0.00)
174:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
174:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
174:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
174:     torsion ( -1.574,  -0.412,   0.108)  ( -1.574,  -0.412,   0.108)  ( 0.01,  0.00,  0.00)
174:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
174:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
174:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
174:  5       (  0.003,  -0.006,   0.005)  (  0.404,   0.128,  -0.118)  ( 0.12,  0.08,  0.06)
174:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
174:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
174:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
174:     torsion (  4.454,   0.421,  -0.829)  (  4.455,   0.421,  -0.829)  ( 0.00,  0.00,  0.00)
174:     oop     ( -3.071,  -0.983,   0.957)  ( -2.670,  -0.852,   0.830)  (13.05, 12.95, 12.12)
174:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
174:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
174:  6       ( -0.018,  -0.005,  -0.006)  ( -0.100,  -0.046,  -0.007)  ( 0.15,  0.02,  0.00)
174:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
174:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
174:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
174:     torsion ( -5.151,  -1.716,   0.095)  ( -5.151,  -1.716,   0.095)  ( 0.01,  0.00,  0.00)
174:     oop     (  0.822,   0.291,   0.005)  (  0.739,   0.246,  -0.007)  ( 6.84,  1.33,  0.01)
174:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
174:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
174:  7       (  0.027,  -0.054,  -0.013)  (  1.051,   0.373,  -0.176)  ( 2.79,  2.29,  0.21)
174:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
174:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
174:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
174:     torsion ( 13.561,   4.422,  -0.317)  ( 13.562,   4.422,  -0.317)  ( 0.00,  0.00,  0.00)
174:     oop     ( -7.262,  -2.827,   1.384)  ( -6.240,  -2.406,   1.213)  (14.07, 14.88, 12.33)
174:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
174:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
174:  8       (  0.007,  -0.006,   0.002)  ( -0.107,  -0.035,   0.019)  ( 0.08,  0.02,  0.00)
174:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
174:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
174:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
174:     torsion (  1.574,   0.412,  -0.108)  (  1.574,   0.412,  -0.108)  ( 0.01,  0.00,  0.00)
174:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
174:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
174:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
174:  9       ( -0.019,   0.027,   0.003)  ( -0.360,  -0.161,   0.046)  ( 0.63,  0.51,  0.01)
174:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
174:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
174:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
174:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
174:     oop     (  2.201,   1.235,  -0.352)  (  1.859,   1.045,  -0.309)  (15.54, 15.42,  1.50)
174:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
174:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
174: 10       ( -0.004,   0.002,  -0.012)  ( -0.404,  -0.128,   0.118)  ( 0.15,  0.03,  0.16)
174:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
174:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
174:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
174:     torsion ( -4.455,  -0.421,   0.829)  ( -4.455,  -0.421,   0.829)  ( 0.00,  0.00,  0.00)
174:     oop     (  3.071,   0.983,  -0.957)  (  2.670,   0.852,  -0.830)  (13.05, 12.95, 12.12)
174:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
174:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
174: ok 16 # gradients 
175:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
175:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
175:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
175:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
175:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
175:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
175:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
175:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
175:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
175:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
175:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
175:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
175:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 12 # gradients 
175: ok 13 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
175:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
175:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
175:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
175:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
175:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
175:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
175:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
175:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
175:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
175:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
175:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
175:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
175:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
175:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
175:  4       (  0.339,   2.335,  -1.508)  (  0.354,   2.156,  -1.322)  ( 0.49,  7.67, 12.33)
175:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
175:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
175:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
175:     oop     ( -0.042,   1.022,  -1.056)  ( -0.035,   0.836,  -0.873)  ( 0.03, 18.16, 17.37)
175:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
175:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
175:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
175:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
175:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
175:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
175:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
175:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
175:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
175:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
175:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
175:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
175:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
175:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.910,  -7.772,   3.404)  ( -0.861,  -7.502,   3.120)  ( 4.50,  3.48,  8.32)
175:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
175:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
175:     torsion ( -2.513, -12.758,   5.361)  ( -2.513, -12.757,   5.361)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.329,  -1.737,   1.929)  ( -0.287,  -1.471,   1.641)  ( 1.39, 15.28, 14.93)
175:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
175:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
175:  8       ( -2.017,   6.847,   8.194)  ( -2.033,   7.367,   8.078)  ( 0.77,  7.59,  1.41)
175:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
175:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
175:     torsion ( -1.720,   6.773, -17.821)  ( -1.720,   6.773, -17.821)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.204,  -2.932,   0.925)  (  0.181,  -2.416,   0.801)  ( 0.45, 17.59, 11.54)
175:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
175:  9       (  2.585,  -3.819,  -7.637)  (  2.601,  -4.100,  -7.475)  ( 0.65,  7.38,  2.13)
175:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
175:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
175:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.307,   6.030,  -3.308)  ( -0.307,   6.030,  -3.308)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
175:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
175: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
175:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
175:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
175:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
175:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
175:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
175: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
175:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
175:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
175:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
175:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
175:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
175:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
175: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
175:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
175:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
175:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
175:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
175:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
175:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
175: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
175:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
175:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
175:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
175:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
175: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
175:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
175:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
175:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
175:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
175:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
175:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
175: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
175:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
175:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
175:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
175:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
175:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
175: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
175:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
175:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
175:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
175:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
175:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
175:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
175:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
175:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
175:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
175:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
175:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
175:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
175:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
175:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
175:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
175:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
175:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
175:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
175: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
175:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
175:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
175:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
175:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
175: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
175:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
175:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
175:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
175:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
175: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
175:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
175:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
175:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
175:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
175:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
175:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
175:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
175:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
175:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
175:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
175:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
175:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
175:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
175:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
175:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
175:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
175:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
175:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
175:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
175:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
175:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
175:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
175:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
175:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
175:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
175:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
175:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
175:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
175:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
175:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
175:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
175:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
175:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
175:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
175:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
175:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
175:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
175: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
175:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
175:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
175:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
175:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
175:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
175:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
175: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
175:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
175:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
175:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
175: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
175:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
175:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
175:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
175:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
175: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
175:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
175:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
175:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
175:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
175: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
175:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
175:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
175:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
175:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
175:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
175: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
175:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
175:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
175:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
175:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
175: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
175:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
175:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
175:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
175:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
175: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
175:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
175:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
175:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
175:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
175: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
175:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
175:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
175:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
175:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
175: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
175:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
175:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
175:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
175: 40       (  0.267,   2.896,  -2.083)  (  0.251,   2.749,  -1.926)  ( 0.44,  5.06,  7.51)
175:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
175:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.960,  -0.598,   1.997)  (  1.960,  -0.598,   1.997)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.155,   1.094,  -1.118)  (  0.137,   0.945,  -0.964)  ( 0.28, 13.62, 13.81)
175:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
175:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
175: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
175:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
175:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
175:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
175:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
175: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
175:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
175:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
175:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
175:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
175: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
175:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
175:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
175:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
175: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
175:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
175:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
175:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
175:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
175:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
175: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
175:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
175:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
175:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
175:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
175:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
175: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
175:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
175:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
175:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
175: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
175:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
175:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
175:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
175:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
175:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
175:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
175:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
175:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
175:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
175:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
175:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
175:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
175:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
175:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
175:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
175:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
175:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
175:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
175:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
175:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
175:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
175:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
175:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
175:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
175:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
175:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
175:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
175:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
175:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
175:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
175:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
175:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
175:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
175:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
175:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
175:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
175:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
175:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
175:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
175:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
175:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
175:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
175:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
175:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
175:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
175: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
175:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
175:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
175:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
175:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
175: ok 14 # gradients 
175: ok 15 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
175:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
175:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
175:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
175:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
175:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
175:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
175:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
175:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
175:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
175:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
175:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
175:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
175:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
175:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
175:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
175:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
175:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
175:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
175:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
175:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
175:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
175:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
175:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
175:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
175:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
175:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
175:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
175:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
175:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
175:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
175:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
175:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
175:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
175:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
175:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
175:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
175:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
175:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
175:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
175:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
175:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
175:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
175:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
175:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
175:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
175:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
175:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
175:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
175:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
175:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
175:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
175:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
175:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
175:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
175:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
175:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
175:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
175: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
175:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
175:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
175:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
175:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
175: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
175:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
175:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
175:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
175:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
175:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
175: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
176:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
176:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
176:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
176:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
176:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
176:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
176:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
176:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
176:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
176:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
176:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
176:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
176:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
176:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
176:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
176:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
176:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
176:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
176:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
176:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
176:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
176:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
176:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 10 # gradients 
176: ok 11 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : surdox02.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
176:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
176:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
176:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
176:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
176:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
176:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
176:  2       (  4.052,   0.153,  -9.314)  (  3.390,   0.134,  -7.713)  (16.34,  0.28, 17.19)
176:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
176:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
176:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
176:     torsion (  1.175,   0.034,  -1.921)  (  1.175,   0.034,  -1.921)  ( 0.01,  0.00,  0.02)
176:     oop     (  3.967,   0.165,  -9.805)  (  3.300,   0.138,  -8.205)  (16.80,  0.44, 16.32)
176:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  3       ( -8.105,  -1.860,  15.243)  ( -7.466,  -1.785,  13.960)  ( 7.89,  4.01,  8.42)
176:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
176:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
176:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.535,   0.373,  10.304)  ( -4.535,   0.373,  10.304)  ( 0.00,  0.00,  0.00)
176:     oop     ( -4.284,  -0.802,   8.672)  ( -3.652,  -0.736,   7.386)  (14.76,  5.30, 14.82)
176:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
176:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
176:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
176:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
176:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
176:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
176:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
176:  5       (  3.820,   0.567,  -5.159)  (  3.587,   0.555,  -4.838)  ( 6.10,  0.68,  6.22)
176:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
176:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
176:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
176:     torsion (  2.813,  -0.764,  -3.745)  (  2.813,  -0.764,  -3.745)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.624,   0.265,  -2.204)  (  1.388,   0.253,  -1.885)  (14.55,  0.34, 14.48)
176:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
176:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
176:  6       (  2.250,   1.416,  -5.425)  (  2.135,   1.350,  -5.124)  ( 5.11,  4.70,  5.54)
176:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
176:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
176:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.969,   0.522,  -5.191)  (  0.969,   0.522,  -5.191)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.003,   0.606,  -2.371)  (  0.886,   0.536,  -2.071)  (11.64,  4.24, 12.66)
176:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
176:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
176:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
176:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
176:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
176:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
176:  8       ( -8.181,   1.288,  15.260)  ( -7.542,   1.275,  13.976)  ( 7.82,  1.04,  8.42)
176:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
176:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
176:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.529,  -0.723,  10.288)  ( -4.529,  -0.723,  10.288)  ( 0.00,  0.00,  0.00)
176:     oop     ( -4.291,   0.502,   8.691)  ( -3.658,   0.480,   7.404)  (14.75,  1.09, 14.81)
176:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
176:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
176:  9       (  3.858,  -0.382,  -5.148)  (  3.625,  -0.380,  -4.827)  ( 6.04,  0.06,  6.24)
176:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
176:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
176:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
176:     torsion (  2.804,   0.904,  -3.721)  (  2.804,   0.904,  -3.721)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.627,  -0.183,  -2.211)  (  1.390,  -0.183,  -1.891)  (14.53,  0.02, 14.45)
176:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
176:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
176: 10       (  2.285,  -1.211,  -5.461)  (  2.169,  -1.148,  -5.158)  ( 5.07,  5.24,  5.54)
176:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
176:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
176:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.973,  -0.360,  -5.204)  (  0.973,  -0.360,  -5.204)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.009,  -0.526,  -2.388)  (  0.892,  -0.466,  -2.086)  (11.64,  3.15, 12.65)
176:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
176:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
176: ok 12 # gradients 
176: ok 13 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : valwou.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
176:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
176:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
176:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
176:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
176:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
176:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
176:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
176:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
176:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
176:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
176:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
176:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
176:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
176:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
176:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
176:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
176:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
176:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
176:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
176:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
176:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
176:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
176:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
176:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
176:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
176:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
176:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
176:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
176:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
176:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
176:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
176:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
176:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
176:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
176:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
176:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
176:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
176:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
176: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
176:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
176:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
176:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
176: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
176:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
176:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
176:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
176:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
176:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
176: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
176:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
176:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
176:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
176:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
176:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
176: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
176:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
176:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
176:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
176:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
176:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
176:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
176:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
176:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
176:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
176: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
176:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
176:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
176:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
176:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
176:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
176:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
176:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
176:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
176:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
176: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
176:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
176:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
176:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
176:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
176:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
176:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
176:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
176:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
176:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
176:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
176:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
176:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
176:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
176:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
176:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
176:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
176:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
176:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
176:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
176:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
176:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
176:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
176:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
176:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
176:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
176:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
176:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
176:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
176:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
176:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
176:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
176:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
176:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
176:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
176:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
176:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 14 # gradients 
176: ok 15 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : vuwxug.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  3.869,   2.130,  -0.620)  (  3.613,   1.990,  -0.587)  ( 6.61,  6.59,  2.03)
176:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
176:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
176:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
176:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.651,   0.927,  -0.264)  (  1.394,   0.784,  -0.232)  (15.54, 13.24,  0.84)
176:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
176:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
176:  2       (  4.195,   1.244,  -0.194)  (  3.655,   1.086,  -0.159)  (12.86, 12.64,  0.68)
176:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
176:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
176:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
176:     torsion (  5.123,   1.707,  -0.094)  (  5.124,   1.707,  -0.094)  ( 0.01,  0.00,  0.00)
176:     oop     (  3.384,   0.966,  -0.184)  (  2.844,   0.804,  -0.160)  (15.97, 15.69,  0.44)
176:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
176:  3       (-13.485,  -5.099,   2.472)  (-12.579,  -4.741,   2.343)  ( 6.72,  7.01,  5.25)
176:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
176:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
176:     torsion (-13.583,  -4.422,   0.322)  (-13.582,  -4.422,   0.322)  ( 0.00,  0.00,  0.00)
176:     oop     ( -6.172,  -2.314,   1.085)  ( -5.268,  -1.962,   0.948)  (14.65, 15.20, 12.64)
176:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
176:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
176:  4       (  0.015,   0.009,  -0.021)  (  0.130,   0.041,  -0.020)  ( 0.18,  0.03,  0.00)
176:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
176:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
176:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.551,  -0.406,   0.107)  ( -1.551,  -0.406,   0.107)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
176:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
176:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
176:  5       (  5.402,   1.718,  -1.674)  (  5.102,   1.621,  -1.576)  ( 5.55,  5.65,  5.91)
176:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
176:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
176:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
176:     torsion (  4.479,   0.424,  -0.834)  (  4.479,   0.424,  -0.834)  ( 0.00,  0.00,  0.00)
176:     oop     (  2.303,   0.738,  -0.718)  (  2.003,   0.639,  -0.623)  (13.05,  7.29,  6.82)
176:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
176:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
176:  6       ( -4.199,  -1.254,   0.172)  ( -3.655,  -1.086,   0.159)  (12.96, 13.38,  0.22)
176:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
176:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
176:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
176:     torsion ( -5.124,  -1.707,   0.094)  ( -5.124,  -1.707,   0.094)  ( 0.01,  0.00,  0.00)
176:     oop     ( -3.387,  -0.966,   0.184)  ( -2.844,  -0.804,   0.160)  (16.04, 15.71,  0.44)
176:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
176:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
176:  7       ( 13.481,   5.087,  -2.487)  ( 12.579,   4.741,  -2.343)  ( 6.69,  6.79,  5.82)
176:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
176:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
176:     torsion ( 13.582,   4.422,  -0.322)  ( 13.582,   4.422,  -0.322)  ( 0.00,  0.00,  0.00)
176:     oop     (  6.172,   2.314,  -1.085)  (  5.268,   1.962,  -0.948)  (14.64, 15.20, 12.65)
176:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
176:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.016,  -0.012,   0.004)  ( -0.130,  -0.041,   0.020)  ( 0.18,  0.04,  0.01)
176:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
176:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
176:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.551,   0.406,  -0.107)  (  1.551,   0.406,  -0.107)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
176:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
176:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
176:  9       ( -3.870,  -2.135,   0.618)  ( -3.613,  -1.990,   0.587)  ( 6.65,  6.81,  1.92)
176:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
176:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
176:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
176:     oop     ( -1.651,  -0.927,   0.264)  ( -1.394,  -0.784,   0.232)  (15.54, 13.24,  0.84)
176:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
176:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
176: 10       ( -5.402,  -1.721,   1.667)  ( -5.102,  -1.621,   1.576)  ( 5.57,  5.84,  5.47)
176:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
176:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
176:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.480,  -0.424,   0.834)  ( -4.479,  -0.424,   0.834)  ( 0.00,  0.00,  0.00)
176:     oop     ( -2.303,  -0.738,   0.718)  ( -2.003,  -0.639,   0.623)  (13.05,  7.29,  6.82)
176:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
176:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
176: ok 16 # gradients 
177:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
177:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
177:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
177:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
177:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
177:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
177:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
177:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
177:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
177:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
177:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 10 # gradients 
177: ok 11 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
177:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
177:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
177:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
177:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
177:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
177:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
177:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
177:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
177:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
177:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
177:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
177:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
177:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
177:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
177:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
177:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
177:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
177:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
177:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
177:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
177:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
177:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
177:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
177:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 12 # gradients 
177: ok 13 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -0.184,  -0.156,  -0.178)  ( -0.177,  -0.152,  -0.170)  ( 0.15,  0.07,  0.14)
177:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
177:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
177:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
177:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
177:     electro (  0.124,  -0.062,  -0.090)  (  0.124,  -0.062,  -0.090)  ( 0.00,  0.00,  0.00)
177:  2       (  0.845,  -0.251,   0.614)  (  0.850,  -0.233,   0.583)  ( 0.37,  0.45,  1.87)
177:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
177:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
177:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
177:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.230,  -0.094,  -0.119)  ( -0.230,  -0.094,  -0.119)  ( 0.00,  0.00,  0.00)
177:  3       (  0.073,   0.716,   1.596)  (  0.084,   0.707,   1.644)  ( 0.08,  0.65,  3.02)
177:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
177:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
177:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
177:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.037,  -0.384,  -0.455)  ( -0.037,  -0.384,  -0.455)  ( 0.00,  0.00,  0.00)
177:  4       ( -1.358,  -0.473,  -0.649)  ( -1.353,  -0.260,  -0.780)  ( 0.39, 10.03,  8.48)
177:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
177:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
177:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
177:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
177:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
177:     electro (  0.584,   0.223,   0.317)  (  0.584,   0.223,   0.317)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.945,  -0.437,  -0.547)  ( -0.950,  -0.380,  -0.686)  ( 0.41,  2.50,  7.61)
177:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
177:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
177:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
177:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
177:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
177:     electro (  0.425,   0.115,  -0.080)  (  0.425,   0.115,  -0.080)  ( 0.00,  0.00,  0.00)
177:  6       (  0.533,   0.106,  -0.757)  (  0.541,   0.107,  -0.740)  ( 0.44,  0.00,  1.34)
177:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
177:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
177:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
177:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.081,  -0.031,  -0.054)  ( -0.081,  -0.031,  -0.054)  ( 0.00,  0.00,  0.00)
177:  7       (  4.182,  -0.110,  -2.955)  (  4.161,  -0.952,  -2.296)  ( 0.49,  9.24, 22.30)
177:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
177:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
177:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
177:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
177:     electro ( -1.488,  -0.244,   0.085)  ( -1.488,  -0.244,   0.085)  ( 0.00,  0.00,  0.00)
177:  8       ( -1.923,   7.274,   9.287)  ( -1.901,   8.167,   8.906)  ( 1.12, 12.27,  4.10)
177:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
177:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
177:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
177:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.137,  -0.875,   0.186)  ( -0.137,  -0.875,   0.186)  ( 0.00,  0.00,  0.00)
177:  9       (  6.140,  -3.439,  -4.350)  (  6.157,  -3.721,  -4.188)  ( 0.27,  8.20,  3.73)
177:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
177:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
177:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
177:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.185,  -0.133,  -1.092)  ( -1.185,  -0.133,  -1.092)  ( 0.00,  0.00,  0.00)
177: 10       (  1.503,  -0.193,   0.092)  (  1.469,  -0.420,  -0.248)  ( 2.28,  4.37,  3.13)
177:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
177:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
177:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
177:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.168,  -0.118,  -0.159)  ( -0.168,  -0.118,  -0.159)  ( 0.00,  0.00,  0.00)
177: 11       ( -3.382,   0.002,   1.664)  ( -3.375,   0.163,   2.211)  ( 0.21,  0.04, 32.88)
177:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
177:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
177:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
177:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
177:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
177:     electro (  1.070,  -0.081,  -0.735)  (  1.070,  -0.081,  -0.735)  ( 0.00,  0.00,  0.00)
177: 12       ( -0.151,  -0.223,  -0.298)  ( -0.144,  -0.255,  -0.423)  ( 0.09,  0.71,  3.72)
177:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
177:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
177:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
177:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
177:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
177:     electro (  0.066,   0.037,   0.059)  (  0.066,   0.037,   0.059)  ( 0.00,  0.00,  0.00)
177: 13       ( -0.934,   4.770,   0.246)  ( -0.930,   4.786,   0.303)  ( 0.38,  0.34,  1.41)
177:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
177:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
177:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
177:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.327,  -0.020,  -0.411)  ( -0.327,  -0.020,  -0.411)  ( 0.00,  0.00,  0.00)
177: 14       (  6.423,  -5.117,   0.699)  (  6.432,  -5.100,   0.728)  ( 0.14,  0.33,  2.05)
177:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
177:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
177:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
177:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
177:     electro (  0.097,  -0.098,  -0.124)  (  0.097,  -0.098,  -0.124)  ( 0.00,  0.00,  0.00)
177: 15       ( -5.131,   0.618,  -0.838)  ( -5.081,   0.621,  -0.540)  ( 0.97,  0.16, 24.88)
177:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
177:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
177:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
177:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
177:     electro (  0.001,  -0.002,   0.071)  (  0.001,  -0.002,   0.071)  ( 0.00,  0.00,  0.00)
177: 16       ( -0.060,   0.192,   1.754)  ( -0.067,   0.202,   1.620)  ( 0.04,  0.20,  7.61)
177:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
177:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
177:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
177:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.079,  -0.002,  -0.273)  ( -0.079,  -0.002,  -0.273)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.394,   0.572,   1.427)  ( -0.386,   0.578,   1.432)  ( 0.31,  0.35,  0.35)
177:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
177:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
177:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
177:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.064,  -0.097,  -0.125)  ( -0.064,  -0.097,  -0.125)  ( 0.00,  0.00,  0.00)
177: 18       ( -0.671,  -0.480,   0.669)  ( -0.666,  -0.470,   0.643)  ( 0.29,  0.48,  1.73)
177:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
177:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
177:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
177:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
177:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.059,   0.157,  -0.040)  ( -0.059,   0.157,  -0.040)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.361,   0.252,  -0.085)  ( -0.352,   0.256,  -0.053)  ( 0.36,  0.11,  0.27)
177:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
177:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
177:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
177:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
177:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.147,  -0.161,  -0.052)  ( -0.147,  -0.161,  -0.052)  ( 0.00,  0.00,  0.00)
177: 20       (  0.033,   0.210,  -0.198)  (  0.028,   0.218,  -0.269)  ( 0.01,  0.15,  1.41)
177:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
177:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
177:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
177:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.159,  -0.145,  -0.065)  ( -0.159,  -0.145,  -0.065)  ( 0.00,  0.00,  0.00)
177: 21       (  0.580,  -0.053,  -0.235)  (  0.591,  -0.122,  -0.471)  ( 0.61,  0.37,  5.54)
177:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
177:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
177:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
177:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.170,   0.037,   0.202)  ( -0.170,   0.037,   0.202)  ( 0.00,  0.00,  0.00)
177: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
177:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
177:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
177:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
177:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
177:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
177:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
177:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
177:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( -2.968,  -0.603,  -1.089)  ( -2.963,  -0.598,  -1.087)  ( 0.17,  0.31,  0.24)
177:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
177:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
177:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
177:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
177:     electro (  0.991,   0.199,   0.382)  (  0.991,   0.199,   0.382)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
177:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
177:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
177:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
177:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -2.572,   0.175,  -0.401)  ( -2.567,   0.181,  -0.395)  ( 0.18,  0.10,  0.23)
177:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
177:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
177:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
177:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
177:     electro (  0.781,  -0.052,   0.181)  (  0.781,  -0.052,   0.181)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
177:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
177:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
177:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
177:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       ( -7.675,  -0.990,   1.850)  ( -7.670,  -0.984,   1.855)  ( 0.07,  0.60,  0.26)
177:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
177:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
177:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
177:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
177:     electro (  2.504,   0.432,  -0.598)  (  2.504,   0.432,  -0.598)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.232,  -0.372,  -1.097)  ( -0.323,  -0.236,  -1.026)  ( 2.10,  5.04,  6.49)
177:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
177:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
177:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
177:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
177:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
177:     electro (  0.048,   0.168,   0.357)  (  0.048,   0.168,   0.357)  ( 0.00,  0.00,  0.00)
177: 30       (  1.016,   2.220,   3.568)  (  1.737,   1.301,   3.105)  (70.91, 41.39, 12.97)
177:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
177:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
177:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
177:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
177:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
177:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.686,  -0.273,  -1.017)  ( -0.686,  -0.273,  -1.017)  ( 0.00,  0.00,  0.00)
177: 31       (  2.419,  -0.986,  -2.275)  (  2.104,  -0.579,  -2.060)  (13.02, 40.06,  9.46)
177:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
177:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
177:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.512,  -0.127,   0.402)  ( -0.512,  -0.127,   0.402)  ( 0.00,  0.00,  0.00)
177: 32       (  5.348,   0.730,  -4.432)  (  5.046,   1.120,  -4.230)  ( 5.64, 28.45,  4.56)
177:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
177:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
177:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.046,   0.178,   1.533)  ( -2.046,   0.178,   1.533)  ( 0.00,  0.00,  0.00)
177: 33       (  7.505,  -1.009,   1.807)  (  7.506,  -1.002,   1.810)  ( 0.01,  0.66,  0.20)
177:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
177:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
177:     electro ( -2.810,   0.456,  -0.648)  ( -2.810,   0.456,  -0.648)  ( 0.00,  0.00,  0.00)
177: 34       ( 10.521,   3.577,  -4.419)  ( 10.527,   3.578,  -4.416)  ( 0.06,  0.02,  0.08)
177:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
177:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
177:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
177:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
177:     electro ( -3.494,  -1.009,   1.492)  ( -3.494,  -1.009,   1.492)  ( 0.00,  0.00,  0.00)
177: 35       (  0.612,  -0.567,  -0.708)  (  0.616,  -0.568,  -0.704)  ( 0.25,  0.04,  0.32)
177:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
177:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
177:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.132,   0.038,   0.062)  ( -0.132,   0.038,   0.062)  ( 0.00,  0.00,  0.00)
177: 36       ( -0.249,  -1.029,   0.334)  ( -0.247,  -1.029,   0.343)  ( 0.05,  0.03,  0.32)
177:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
177:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
177:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
177:     electro (  0.086,   0.132,   0.117)  (  0.086,   0.132,   0.117)  ( 0.00,  0.00,  0.00)
177: 37       ( -1.459,   0.450,  -0.189)  ( -1.459,   0.459,  -0.205)  ( 0.02,  0.38,  0.31)
177:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
177:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
177:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
177:     electro (  0.518,  -0.270,   0.365)  (  0.518,  -0.270,   0.365)  ( 0.00,  0.00,  0.00)
177: 38       (  0.697,  -0.095,  -1.643)  (  0.702,  -0.112,  -1.585)  ( 0.38,  0.16,  3.53)
177:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
177:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
177:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
177:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.094,   0.142,   0.101)  ( -0.094,   0.142,   0.101)  ( 0.00,  0.00,  0.00)
177: 39       (  0.579,   0.285,  -1.567)  (  0.582,   0.284,  -1.555)  ( 0.17,  0.03,  0.77)
177:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
177:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
177:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.066,  -0.083,   0.009)  ( -0.066,  -0.083,   0.009)  ( 0.00,  0.00,  0.00)
177: 40       ( -3.312,  -3.973,  -3.279)  ( -3.286,  -3.772,  -3.483)  ( 0.77,  5.06,  6.22)
177:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
177:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
177:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
177:     electro (  1.070,   1.432,   1.274)  (  1.070,   1.432,   1.274)  ( 0.00,  0.00,  0.00)
177: 41       (  0.314,  -0.534,  -1.796)  (  0.320,  -0.537,  -1.831)  ( 0.19,  0.17,  1.93)
177:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
177:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
177:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
177:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.055,   0.069,   0.225)  ( -0.055,   0.069,   0.225)  ( 0.00,  0.00,  0.00)
177: 42       ( -0.601,  -0.039,  -0.247)  ( -0.597,  -0.038,  -0.240)  ( 0.23,  0.00,  0.18)
177:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
177:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
177:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
177:     electro (  0.193,   0.152,   0.475)  (  0.193,   0.152,   0.475)  ( 0.00,  0.00,  0.00)
177: 43       ( -0.497,   0.648,   1.335)  ( -0.493,   0.649,   1.338)  ( 0.18,  0.06,  0.24)
177:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
177:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
177:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.071,  -0.066,   0.111)  ( -0.071,  -0.066,   0.111)  ( 0.00,  0.00,  0.00)
177: 44       ( -1.262,   0.524,   0.724)  ( -1.261,   0.527,   0.732)  ( 0.12,  0.15,  0.57)
177:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
177:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
177:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
177:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
177:     electro (  0.039,  -0.152,   0.018)  (  0.039,  -0.152,   0.018)  ( 0.00,  0.00,  0.00)
177: 45       ( -1.564,  -0.339,  -0.643)  ( -1.563,  -0.337,  -0.657)  ( 0.08,  0.10,  0.90)
177:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
177:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
177:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
177:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
177:     electro (  0.189,  -0.027,   0.024)  (  0.189,  -0.027,   0.024)  ( 0.00,  0.00,  0.00)
177: 46       (  0.161,  -1.444,  -1.223)  (  0.162,  -1.442,  -1.237)  ( 0.03,  0.16,  1.12)
177:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
177:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
177:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.207,   0.336,   0.067)  ( -0.207,   0.336,   0.067)  ( 0.00,  0.00,  0.00)
177: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
177:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
177:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
177:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
177:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
177:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
177:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
177:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
177:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
177:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
177:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
177:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
177:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
177:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
177:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
177:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
177:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
177:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
177:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
177:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
177:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
177:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
177:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
177:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
177:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
177:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
177:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
177:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
177:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
177:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
177:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
177:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
177:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
177:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
177:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
177:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
177:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
177:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
177:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
177:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
179:     angle   ( -1.405,  90.865,  -2.095)  ( -1.405,  90.868,  -2.094)  ( 0.03,  0.00,  0.07)
179:     torsion ( -1.193,   0.324,  -2.342)  ( -1.193,   0.324,  -2.343)  ( 0.01,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.486,  -4.526,   1.966)  ( -0.486,  -4.526,   1.966)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( 29.339,  28.487, -18.032)  ( 29.341,  28.492, -18.020)  ( 0.01,  0.02,  0.07)
179:     bond    (  0.383,   0.838,   1.790)  (  0.383,   0.841,   1.801)  ( 0.02,  0.20,  0.61)
179:     angle   ( 32.234,  27.224, -19.575)  ( 32.235,  27.226, -19.574)  ( 0.01,  0.01,  0.00)
179:     torsion ( -2.678,   1.270,  -0.022)  ( -2.679,   1.269,  -0.022)  ( 0.02,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.599,  -0.845,  -0.224)  ( -0.599,  -0.845,  -0.224)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( 77.507,  51.153,  -0.184)  ( 77.512,  51.160,  -0.179)  ( 0.01,  0.01,  0.09)
179:     bond    (  0.256,  -0.376,   0.294)  (  0.259,  -0.370,   0.298)  ( 0.08,  0.24,  0.12)
179:     angle   ( 84.291,  51.889,  -9.001)  ( 84.293,  51.890,  -9.000)  ( 0.00,  0.00,  0.01)
179:     torsion ( -4.380,   2.836,   7.322)  ( -4.381,   2.836,   7.322)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.659,  -3.197,   1.201)  ( -2.659,  -3.197,   1.201)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 16 # gradients 
179: ok 17 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (298.150,  97.504, -27.328)  (298.201,  97.544, -27.307)  ( 0.02,  0.04,  0.08)
179:     bond    (270.148,  57.230, -74.029)  (270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
179:     angle   ( -0.641,   0.285,  -0.163)  ( -0.629,   0.299,  -0.154)  ( 0.77,  0.40,  0.14)
179:     torsion ( -0.291,   0.285,   0.476)  ( -0.286,   0.290,   0.487)  ( 0.15,  0.15,  0.51)
179:     oop     ( -0.005,   0.008,   0.016)  (  0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
179:     vdw     ( 28.939,  39.697,  46.371)  ( 28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.049, 281.242, -143.091)  ( -0.000, 281.292, -143.058)  ( 0.24,  0.02,  0.02)
179:     bond    ( -0.026, 223.722, -177.596)  (  0.000, 223.752, -177.591)  ( 0.07,  0.01,  0.00)
179:     angle   ( -0.016,   0.102,  -0.415)  ( -0.000,   0.115,  -0.410)  ( 0.03,  0.14,  0.23)
179:     torsion ( -0.005,  -0.107,  -0.352)  (  0.000,  -0.104,  -0.338)  ( 0.00,  0.03,  0.48)
179:     oop     ( -0.000,  -0.006,  -0.013)  (  0.000,  -0.004,  -0.005)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.002,  57.531,  35.285)  ( -0.000,  57.532,  35.285)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.049, -281.337, -143.091)  (  0.000, -281.292, -143.058)  ( 0.24,  0.02,  0.02)
179:     bond    ( -0.026, -223.783, -177.596)  (  0.000, -223.752, -177.591)  ( 0.07,  0.01,  0.00)
179:     angle   ( -0.016,  -0.129,  -0.415)  ( -0.000,  -0.115,  -0.410)  ( 0.03,  0.17,  0.23)
179:     torsion ( -0.005,   0.101,  -0.352)  (  0.000,   0.104,  -0.338)  ( 0.00,  0.03,  0.48)
179:     oop     ( -0.000,   0.006,  -0.013)  (  0.000,   0.004,  -0.005)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.002, -57.533,  35.285)  ( -0.000, -57.532,  35.285)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (298.150, -97.594, -27.328)  (298.201, -97.544, -27.307)  ( 0.02,  0.05,  0.08)
179:     bond    (270.148, -57.277, -74.029)  (270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
179:     angle   ( -0.641,  -0.313,  -0.163)  ( -0.629,  -0.299,  -0.154)  ( 0.77,  0.44,  0.14)
179:     torsion ( -0.291,  -0.295,   0.476)  ( -0.286,  -0.290,   0.487)  ( 0.15,  0.16,  0.51)
179:     oop     ( -0.005,  -0.008,   0.016)  (  0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
179:     vdw     ( 28.939, -39.700,  46.371)  ( 28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-156.771, 186.884, -202.167)  (-156.738, 186.928, -202.126)  ( 0.02,  0.02,  0.02)
179:     bond    (-92.784, 168.051, -212.764)  (-92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
179:     angle   ( -0.061,   0.692,   0.134)  ( -0.050,   0.706,   0.143)  ( 0.07,  0.99,  0.12)
179:     torsion (  0.267,   0.221,  -0.320)  (  0.273,   0.226,  -0.310)  ( 0.16,  0.11,  0.32)
179:     oop     (  0.007,   0.003,  -0.009)  (  0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (-64.201,  17.918,  10.792)  (-64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-156.771, -186.980, -202.167)  (-156.738, -186.928, -202.126)  ( 0.02,  0.03,  0.02)
179:     bond    (-92.784, -168.105, -212.764)  (-92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
179:     angle   ( -0.061,  -0.721,   0.134)  ( -0.050,  -0.706,   0.143)  ( 0.07,  1.04,  0.12)
179:     torsion (  0.267,  -0.231,  -0.320)  (  0.273,  -0.226,  -0.310)  ( 0.16,  0.12,  0.32)
179:     oop     (  0.007,  -0.003,  -0.009)  (  0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (-64.201, -17.920,  10.792)  (-64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (-298.242,  97.504, -27.328)  (-298.201,  97.544, -27.307)  ( 0.01,  0.04,  0.08)
179:     bond    (-270.205,  57.230, -74.029)  (-270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
179:     angle   (  0.617,   0.285,  -0.163)  (  0.629,   0.299,  -0.154)  ( 0.74,  0.40,  0.14)
179:     torsion (  0.281,   0.285,   0.476)  (  0.286,   0.290,   0.487)  ( 0.14,  0.15,  0.51)
179:     oop     (  0.005,   0.008,   0.016)  ( -0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
179:     vdw     (-28.940,  39.697,  46.371)  (-28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (-298.242, -97.594, -27.328)  (-298.201, -97.544, -27.307)  ( 0.01,  0.05,  0.08)
179:     bond    (-270.205, -57.277, -74.029)  (-270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
179:     angle   (  0.617,  -0.313,  -0.163)  (  0.629,  -0.299,  -0.154)  ( 0.74,  0.44,  0.14)
179:     torsion (  0.281,  -0.295,   0.476)  (  0.286,  -0.290,   0.487)  ( 0.14,  0.16,  0.51)
179:     oop     (  0.005,  -0.008,   0.016)  ( -0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
179:     vdw     (-28.940, -39.700,  46.371)  (-28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (186.884, 202.096, 156.695)  (186.928, 202.126, 156.738)  ( 0.02,  0.02,  0.03)
179:     bond    (168.051, 212.732,  92.745)  (168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
179:     angle   (  0.692,  -0.152,   0.038)  (  0.706,  -0.143,   0.050)  ( 0.99,  0.14,  0.04)
179:     torsion (  0.221,   0.300,  -0.279)  (  0.226,   0.310,  -0.273)  ( 0.11,  0.30,  0.17)
179:     oop     (  0.003,   0.008,  -0.008)  ( -0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 17.918, -10.793,  64.199)  ( 17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       ( 27.266, 298.150,  97.504)  ( 27.307, 298.201,  97.544)  ( 0.15,  0.02,  0.04)
179:     bond    ( 74.008, 270.148,  57.230)  ( 74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.145,  -0.641,   0.285)  (  0.154,  -0.629,   0.299)  ( 0.13,  0.77,  0.40)
179:     torsion ( -0.498,  -0.291,   0.285)  ( -0.487,  -0.286,   0.290)  ( 0.53,  0.15,  0.15)
179:     oop     ( -0.016,  -0.005,   0.008)  ( -0.007,   0.000,   0.003)  ( 0.02,  0.00,  0.00)
179:     vdw     (-46.373,  28.939,  39.697)  (-46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       ( 27.266, -298.242,  97.504)  ( 27.307, -298.201,  97.544)  ( 0.15,  0.01,  0.04)
179:     bond    ( 74.008, -270.205,  57.230)  ( 74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.145,   0.617,   0.285)  (  0.154,   0.629,   0.299)  ( 0.13,  0.74,  0.40)
179:     torsion ( -0.498,   0.281,   0.285)  ( -0.487,   0.286,   0.290)  ( 0.53,  0.14,  0.15)
179:     oop     ( -0.016,   0.005,   0.008)  ( -0.007,  -0.000,   0.003)  ( 0.02,  0.00,  0.00)
179:     vdw     (-46.373, -28.940,  39.697)  (-46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (186.884, -202.167, 156.695)  (186.928, -202.126, 156.738)  ( 0.02,  0.02,  0.03)
179:     bond    (168.051, -212.764,  92.745)  (168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
179:     angle   (  0.692,   0.134,   0.038)  (  0.706,   0.143,   0.050)  ( 0.99,  0.12,  0.04)
179:     torsion (  0.221,  -0.320,  -0.279)  (  0.226,  -0.310,  -0.273)  ( 0.11,  0.32,  0.17)
179:     oop     (  0.003,  -0.009,  -0.008)  ( -0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 17.918,  10.792,  64.199)  ( 17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (202.096, -156.771, -186.980)  (202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
179:     bond    (212.732, -92.784, -168.105)  (212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
179:     angle   ( -0.152,  -0.061,  -0.721)  ( -0.143,  -0.050,  -0.706)  ( 0.14,  0.07,  1.04)
179:     torsion (  0.300,   0.267,  -0.231)  (  0.310,   0.273,  -0.226)  ( 0.30,  0.16,  0.12)
179:     oop     (  0.008,   0.007,  -0.003)  (  0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.793, -64.201, -17.920)  (-10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (-97.594,  27.266, -298.242)  (-97.544,  27.307, -298.201)  ( 0.05,  0.15,  0.01)
179:     bond    (-57.277,  74.008, -270.205)  (-57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.313,   0.145,   0.617)  ( -0.299,   0.154,   0.629)  ( 0.44,  0.13,  0.74)
179:     torsion ( -0.295,  -0.498,   0.281)  ( -0.290,  -0.487,   0.286)  ( 0.16,  0.53,  0.14)
179:     oop     ( -0.008,  -0.016,   0.005)  ( -0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
179:     vdw     (-39.700, -46.373, -28.940)  (-39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       (202.096, -156.771, 186.884)  (202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
179:     bond    (212.732, -92.784, 168.051)  (212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
179:     angle   ( -0.152,  -0.061,   0.692)  ( -0.143,  -0.050,   0.706)  ( 0.14,  0.07,  0.99)
179:     torsion (  0.300,   0.267,   0.221)  (  0.310,   0.273,   0.226)  ( 0.30,  0.16,  0.11)
179:     oop     (  0.008,   0.007,   0.003)  (  0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.793, -64.201,  17.918)  (-10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (-281.337, 143.041,  -0.049)  (-281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
179:     bond    (-223.783, 177.585,  -0.026)  (-223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
179:     angle   ( -0.129,   0.404,  -0.016)  ( -0.115,   0.410,   0.000)  ( 0.17,  0.23,  0.03)
179:     torsion (  0.101,   0.325,  -0.005)  (  0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
179:     oop     (  0.006,   0.012,  -0.000)  (  0.004,   0.005,  -0.000)  ( 0.00,  0.01,  0.00)
179:     vdw     (-57.533, -35.285,  -0.002)  (-57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (156.695, -186.980, -202.167)  (156.738, -186.928, -202.126)  ( 0.03,  0.03,  0.02)
179:     bond    ( 92.745, -168.105, -212.764)  ( 92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
179:     angle   (  0.038,  -0.721,   0.134)  (  0.050,  -0.706,   0.143)  ( 0.04,  1.04,  0.12)
179:     torsion ( -0.279,  -0.231,  -0.320)  ( -0.273,  -0.226,  -0.310)  ( 0.17,  0.12,  0.32)
179:     oop     ( -0.008,  -0.003,  -0.009)  ( -0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 64.199, -17.920,  10.792)  ( 64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (-186.980, 202.096, 156.695)  (-186.928, 202.126, 156.738)  ( 0.03,  0.02,  0.03)
179:     bond    (-168.105, 212.732,  92.745)  (-168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
179:     angle   ( -0.721,  -0.152,   0.038)  ( -0.706,  -0.143,   0.050)  ( 1.04,  0.14,  0.04)
179:     torsion ( -0.231,   0.300,  -0.279)  ( -0.226,   0.310,  -0.273)  ( 0.12,  0.30,  0.17)
179:     oop     ( -0.003,   0.008,  -0.008)  (  0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (-17.920, -10.793,  64.199)  (-17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (-97.594,  27.266, 298.150)  (-97.544,  27.307, 298.201)  ( 0.05,  0.15,  0.02)
179:     bond    (-57.277,  74.008, 270.148)  (-57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.313,   0.145,  -0.641)  ( -0.299,   0.154,  -0.629)  ( 0.44,  0.13,  0.77)
179:     torsion ( -0.295,  -0.498,  -0.291)  ( -0.290,  -0.487,  -0.286)  ( 0.16,  0.53,  0.15)
179:     oop     ( -0.008,  -0.016,  -0.005)  ( -0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
179:     vdw     (-39.700, -46.373,  28.939)  (-39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( 97.504,  27.266, -298.242)  ( 97.544,  27.307, -298.201)  ( 0.04,  0.15,  0.01)
179:     bond    ( 57.230,  74.008, -270.205)  ( 57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.285,   0.145,   0.617)  (  0.299,   0.154,   0.629)  ( 0.40,  0.13,  0.74)
179:     torsion (  0.285,  -0.498,   0.281)  (  0.290,  -0.487,   0.286)  ( 0.15,  0.53,  0.14)
179:     oop     (  0.008,  -0.016,   0.005)  (  0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
179:     vdw     ( 39.697, -46.373, -28.940)  ( 39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (156.695, 186.884, -202.167)  (156.738, 186.928, -202.126)  ( 0.03,  0.02,  0.02)
179:     bond    ( 92.745, 168.051, -212.764)  ( 92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
179:     angle   (  0.038,   0.692,   0.134)  (  0.050,   0.706,   0.143)  ( 0.04,  0.99,  0.12)
179:     torsion ( -0.279,   0.221,  -0.320)  ( -0.273,   0.226,  -0.310)  ( 0.17,  0.11,  0.32)
179:     oop     ( -0.008,   0.003,  -0.009)  ( -0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 64.199,  17.918,  10.792)  ( 64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (143.041,  -0.049, 281.242)  (143.058,  -0.000, 281.292)  ( 0.01,  0.24,  0.02)
179:     bond    (177.585,  -0.026, 223.722)  (177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
179:     angle   (  0.404,  -0.016,   0.102)  (  0.410,  -0.000,   0.115)  ( 0.23,  0.03,  0.14)
179:     torsion (  0.325,  -0.005,  -0.107)  (  0.338,   0.000,  -0.104)  ( 0.44,  0.00,  0.03)
179:     oop     (  0.012,  -0.000,  -0.006)  (  0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
179:     vdw     (-35.285,  -0.002,  57.531)  (-35.285,   0.000,  57.532)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (202.096, 156.695, -186.980)  (202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
179:     bond    (212.732,  92.745, -168.105)  (212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
179:     angle   ( -0.152,   0.038,  -0.721)  ( -0.143,   0.050,  -0.706)  ( 0.14,  0.04,  1.04)
179:     torsion (  0.300,  -0.279,  -0.231)  (  0.310,  -0.273,  -0.226)  ( 0.30,  0.17,  0.12)
179:     oop     (  0.008,  -0.008,  -0.003)  (  0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.793,  64.199, -17.920)  (-10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (-27.328, -298.242,  97.504)  (-27.307, -298.201,  97.544)  ( 0.08,  0.01,  0.04)
179:     bond    (-74.029, -270.205,  57.230)  (-74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.163,   0.617,   0.285)  ( -0.154,   0.629,   0.299)  ( 0.14,  0.74,  0.40)
179:     torsion (  0.476,   0.281,   0.285)  (  0.487,   0.286,   0.290)  ( 0.51,  0.14,  0.15)
179:     oop     (  0.016,   0.005,   0.008)  (  0.007,  -0.000,   0.003)  ( 0.01,  0.00,  0.00)
179:     vdw     ( 46.371, -28.940,  39.697)  ( 46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (-97.594, -27.328, -298.242)  (-97.544, -27.307, -298.201)  ( 0.05,  0.08,  0.01)
179:     bond    (-57.277, -74.029, -270.205)  (-57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.313,  -0.163,   0.617)  ( -0.299,  -0.154,   0.629)  ( 0.44,  0.14,  0.74)
179:     torsion ( -0.295,   0.476,   0.281)  ( -0.290,   0.487,   0.286)  ( 0.16,  0.51,  0.14)
179:     oop     ( -0.008,   0.016,   0.005)  ( -0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
179:     vdw     (-39.700,  46.371, -28.940)  (-39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (-186.980, -202.167, 156.695)  (-186.928, -202.126, 156.738)  ( 0.03,  0.02,  0.03)
179:     bond    (-168.105, -212.764,  92.745)  (-168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
179:     angle   ( -0.721,   0.134,   0.038)  ( -0.706,   0.143,   0.050)  ( 1.04,  0.12,  0.04)
179:     torsion ( -0.231,  -0.320,  -0.279)  ( -0.226,  -0.310,  -0.273)  ( 0.12,  0.32,  0.17)
179:     oop     ( -0.003,  -0.009,  -0.008)  (  0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (-17.920,  10.792,  64.199)  (-17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       (202.096, 156.695, 186.884)  (202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
179:     bond    (212.732,  92.745, 168.051)  (212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
179:     angle   ( -0.152,   0.038,   0.692)  ( -0.143,   0.050,   0.706)  ( 0.14,  0.04,  0.99)
179:     torsion (  0.300,  -0.279,   0.221)  (  0.310,  -0.273,   0.226)  ( 0.30,  0.17,  0.11)
179:     oop     (  0.008,  -0.008,   0.003)  (  0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.793,  64.199,  17.918)  (-10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (-281.337, -143.091,  -0.049)  (-281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
179:     bond    (-223.783, -177.596,  -0.026)  (-223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
179:     angle   ( -0.129,  -0.415,  -0.016)  ( -0.115,  -0.410,   0.000)  ( 0.17,  0.23,  0.03)
179:     torsion (  0.101,  -0.352,  -0.005)  (  0.104,  -0.338,  -0.000)  ( 0.03,  0.48,  0.00)
179:     oop     (  0.006,  -0.013,  -0.000)  (  0.004,  -0.005,  -0.000)  ( 0.00,  0.01,  0.00)
179:     vdw     (-57.533,  35.285,  -0.002)  (-57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( 97.504, -27.328, -298.242)  ( 97.544, -27.307, -298.201)  ( 0.04,  0.08,  0.01)
179:     bond    ( 57.230, -74.029, -270.205)  ( 57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.285,  -0.163,   0.617)  (  0.299,  -0.154,   0.629)  ( 0.40,  0.14,  0.74)
179:     torsion (  0.285,   0.476,   0.281)  (  0.290,   0.487,   0.286)  ( 0.15,  0.51,  0.14)
179:     oop     (  0.008,   0.016,   0.005)  (  0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
179:     vdw     ( 39.697,  46.371, -28.940)  ( 39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (281.242, 143.041,  -0.049)  (281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
179:     bond    (223.722, 177.585,  -0.026)  (223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
179:     angle   (  0.102,   0.404,  -0.016)  (  0.115,   0.410,   0.000)  ( 0.14,  0.23,  0.03)
179:     torsion ( -0.107,   0.325,  -0.005)  ( -0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
179:     oop     ( -0.006,   0.012,  -0.000)  ( -0.004,   0.005,   0.000)  ( 0.00,  0.01,  0.00)
179:     vdw     ( 57.531, -35.285,  -0.002)  ( 57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (143.041,  -0.049, -281.337)  (143.058,  -0.000, -281.292)  ( 0.01,  0.24,  0.02)
179:     bond    (177.585,  -0.026, -223.783)  (177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
179:     angle   (  0.404,  -0.016,  -0.129)  (  0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
179:     torsion (  0.325,  -0.005,   0.101)  (  0.338,  -0.000,   0.104)  ( 0.44,  0.00,  0.03)
179:     oop     (  0.012,  -0.000,   0.006)  (  0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
179:     vdw     (-35.285,  -0.002, -57.533)  (-35.285,  -0.000, -57.532)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (-27.328, 298.150,  97.504)  (-27.307, 298.201,  97.544)  ( 0.08,  0.02,  0.04)
179:     bond    (-74.029, 270.148,  57.230)  (-74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.163,  -0.641,   0.285)  ( -0.154,  -0.629,   0.299)  ( 0.14,  0.77,  0.40)
179:     torsion (  0.476,  -0.291,   0.285)  (  0.487,  -0.286,   0.290)  ( 0.51,  0.15,  0.15)
179:     oop     (  0.016,  -0.005,   0.008)  (  0.007,   0.000,   0.003)  ( 0.01,  0.00,  0.00)
179:     vdw     ( 46.371,  28.939,  39.697)  ( 46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (-97.594, -27.328, 298.150)  (-97.544, -27.307, 298.201)  ( 0.05,  0.08,  0.02)
179:     bond    (-57.277, -74.029, 270.148)  (-57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.313,  -0.163,  -0.641)  ( -0.299,  -0.154,  -0.629)  ( 0.44,  0.14,  0.77)
179:     torsion ( -0.295,   0.476,  -0.291)  ( -0.290,   0.487,  -0.286)  ( 0.16,  0.51,  0.15)
179:     oop     ( -0.008,   0.016,  -0.005)  ( -0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
179:     vdw     (-39.700,  46.371,  28.939)  (-39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (281.242, -143.091,  -0.049)  (281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
179:     bond    (223.722, -177.596,  -0.026)  (223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
179:     angle   (  0.102,  -0.415,  -0.016)  (  0.115,  -0.410,   0.000)  ( 0.14,  0.23,  0.03)
179:     torsion ( -0.107,  -0.352,  -0.005)  ( -0.104,  -0.338,   0.000)  ( 0.03,  0.48,  0.00)
179:     oop     ( -0.006,  -0.013,  -0.000)  ( -0.004,  -0.005,   0.000)  ( 0.00,  0.01,  0.00)
179:     vdw     ( 57.531,  35.285,  -0.002)  ( 57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (-202.167, 156.695, -186.980)  (-202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
179:     bond    (-212.764,  92.745, -168.105)  (-212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
179:     angle   (  0.134,   0.038,  -0.721)  (  0.143,   0.050,  -0.706)  ( 0.12,  0.04,  1.04)
179:     torsion ( -0.320,  -0.279,  -0.231)  ( -0.310,  -0.273,  -0.226)  ( 0.32,  0.17,  0.12)
179:     oop     ( -0.009,  -0.008,  -0.003)  ( -0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.792,  64.199, -17.920)  ( 10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (-202.167, 156.695, 186.884)  (-202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
179:     bond    (-212.764,  92.745, 168.051)  (-212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
179:     angle   (  0.134,   0.038,   0.692)  (  0.143,   0.050,   0.706)  ( 0.12,  0.04,  0.99)
179:     torsion ( -0.320,  -0.279,   0.221)  ( -0.310,  -0.273,   0.226)  ( 0.32,  0.17,  0.11)
179:     oop     ( -0.009,  -0.008,   0.003)  ( -0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.792,  64.199,  17.918)  ( 10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (-143.091,  -0.049, 281.242)  (-143.058,   0.000, 281.292)  ( 0.02,  0.24,  0.02)
179:     bond    (-177.596,  -0.026, 223.722)  (-177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
179:     angle   ( -0.415,  -0.016,   0.102)  ( -0.410,   0.000,   0.115)  ( 0.23,  0.03,  0.14)
179:     torsion ( -0.352,  -0.005,  -0.107)  ( -0.338,   0.000,  -0.104)  ( 0.48,  0.00,  0.03)
179:     oop     ( -0.013,  -0.000,  -0.006)  ( -0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
179:     vdw     ( 35.285,  -0.002,  57.531)  ( 35.285,  -0.000,  57.532)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (-202.167, -156.771, -186.980)  (-202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
179:     bond    (-212.764, -92.784, -168.105)  (-212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
179:     angle   (  0.134,  -0.061,  -0.721)  (  0.143,  -0.050,  -0.706)  ( 0.12,  0.07,  1.04)
179:     torsion ( -0.320,   0.267,  -0.231)  ( -0.310,   0.273,  -0.226)  ( 0.32,  0.16,  0.12)
179:     oop     ( -0.009,   0.007,  -0.003)  ( -0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.792, -64.201, -17.920)  ( 10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       (-202.167, -156.771, 186.884)  (-202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
179:     bond    (-212.764, -92.784, 168.051)  (-212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
179:     angle   (  0.134,  -0.061,   0.692)  (  0.143,  -0.050,   0.706)  ( 0.12,  0.07,  0.99)
179:     torsion ( -0.320,   0.267,   0.221)  ( -0.310,   0.273,   0.226)  ( 0.32,  0.16,  0.11)
179:     oop     ( -0.009,   0.007,   0.003)  ( -0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.792, -64.201,  17.918)  ( 10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 40       ( 97.504, -27.328, 298.150)  ( 97.544, -27.307, 298.201)  ( 0.04,  0.08,  0.02)
179:     bond    ( 57.230, -74.029, 270.148)  ( 57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.285,  -0.163,  -0.641)  (  0.299,  -0.154,  -0.629)  ( 0.40,  0.14,  0.77)
179:     torsion (  0.285,   0.476,  -0.291)  (  0.290,   0.487,  -0.286)  ( 0.15,  0.51,  0.15)
179:     oop     (  0.008,   0.016,  -0.005)  (  0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
179:     vdw     ( 39.697,  46.371,  28.939)  ( 39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (-186.980, -202.167, -156.771)  (-186.928, -202.126, -156.738)  ( 0.03,  0.02,  0.02)
179:     bond    (-168.105, -212.764, -92.784)  (-168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
179:     angle   ( -0.721,   0.134,  -0.061)  ( -0.706,   0.143,  -0.050)  ( 1.04,  0.12,  0.07)
179:     torsion ( -0.231,  -0.320,   0.267)  ( -0.226,  -0.310,   0.273)  ( 0.12,  0.32,  0.16)
179:     oop     ( -0.003,  -0.009,   0.007)  (  0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (-17.920,  10.792, -64.201)  (-17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       (-298.242,  97.504,  27.266)  (-298.201,  97.544,  27.307)  ( 0.01,  0.04,  0.15)
179:     bond    (-270.205,  57.230,  74.008)  (-270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
179:     angle   (  0.617,   0.285,   0.145)  (  0.629,   0.299,   0.154)  ( 0.74,  0.40,  0.13)
179:     torsion (  0.281,   0.285,  -0.498)  (  0.286,   0.290,  -0.487)  ( 0.14,  0.15,  0.53)
179:     oop     (  0.005,   0.008,  -0.016)  ( -0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
179:     vdw     (-28.940,  39.697, -46.373)  (-28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       (186.884, -202.167, -156.771)  (186.928, -202.126, -156.738)  ( 0.02,  0.02,  0.02)
179:     bond    (168.051, -212.764, -92.784)  (168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
179:     angle   (  0.692,   0.134,  -0.061)  (  0.706,   0.143,  -0.050)  ( 0.99,  0.12,  0.07)
179:     torsion (  0.221,  -0.320,   0.267)  (  0.226,  -0.310,   0.273)  ( 0.11,  0.32,  0.16)
179:     oop     (  0.003,  -0.009,   0.007)  ( -0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 17.918,  10.792, -64.201)  ( 17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       ( 27.266, 298.150, -97.594)  ( 27.307, 298.201, -97.544)  ( 0.15,  0.02,  0.05)
179:     bond    ( 74.008, 270.148, -57.277)  ( 74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.145,  -0.641,  -0.313)  (  0.154,  -0.629,  -0.299)  ( 0.13,  0.77,  0.44)
179:     torsion ( -0.498,  -0.291,  -0.295)  ( -0.487,  -0.286,  -0.290)  ( 0.53,  0.15,  0.16)
179:     oop     ( -0.016,  -0.005,  -0.008)  ( -0.007,   0.000,  -0.003)  ( 0.02,  0.00,  0.00)
179:     vdw     (-46.373,  28.939, -39.700)  (-46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       (-27.328, 298.150, -97.594)  (-27.307, 298.201, -97.544)  ( 0.08,  0.02,  0.05)
179:     bond    (-74.029, 270.148, -57.277)  (-74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.163,  -0.641,  -0.313)  ( -0.154,  -0.629,  -0.299)  ( 0.14,  0.77,  0.44)
179:     torsion (  0.476,  -0.291,  -0.295)  (  0.487,  -0.286,  -0.290)  ( 0.51,  0.15,  0.16)
179:     oop     (  0.016,  -0.005,  -0.008)  (  0.007,   0.000,  -0.003)  ( 0.01,  0.00,  0.00)
179:     vdw     ( 46.371,  28.939, -39.700)  ( 46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 46       ( 27.266, -298.242, -97.594)  ( 27.307, -298.201, -97.544)  ( 0.15,  0.01,  0.05)
179:     bond    ( 74.008, -270.205, -57.277)  ( 74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.145,   0.617,  -0.313)  (  0.154,   0.629,  -0.299)  ( 0.13,  0.74,  0.44)
179:     torsion ( -0.498,   0.281,  -0.295)  ( -0.487,   0.286,  -0.290)  ( 0.53,  0.14,  0.16)
179:     oop     ( -0.016,   0.005,  -0.008)  ( -0.007,  -0.000,  -0.003)  ( 0.02,  0.00,  0.00)
179:     vdw     (-46.373, -28.940, -39.700)  (-46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 47       (-156.771, -186.980, 202.096)  (-156.738, -186.928, 202.126)  ( 0.02,  0.03,  0.02)
179:     bond    (-92.784, -168.105, 212.732)  (-92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
179:     angle   ( -0.061,  -0.721,  -0.152)  ( -0.050,  -0.706,  -0.143)  ( 0.07,  1.04,  0.14)
179:     torsion (  0.267,  -0.231,   0.300)  (  0.273,  -0.226,   0.310)  ( 0.16,  0.12,  0.30)
179:     oop     (  0.007,  -0.003,   0.008)  (  0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (-64.201, -17.920, -10.793)  (-64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       (-143.091,  -0.049, -281.337)  (-143.058,   0.000, -281.292)  ( 0.02,  0.24,  0.02)
179:     bond    (-177.596,  -0.026, -223.783)  (-177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
179:     angle   ( -0.415,  -0.016,  -0.129)  ( -0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
179:     torsion ( -0.352,  -0.005,   0.101)  ( -0.338,   0.000,   0.104)  ( 0.48,  0.00,  0.03)
179:     oop     ( -0.013,  -0.000,   0.006)  ( -0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
179:     vdw     ( 35.285,  -0.002, -57.533)  ( 35.285,   0.000, -57.532)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       ( 97.504,  27.266, 298.150)  ( 97.544,  27.307, 298.201)  ( 0.04,  0.15,  0.02)
179:     bond    ( 57.230,  74.008, 270.148)  ( 57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.285,   0.145,  -0.641)  (  0.299,   0.154,  -0.629)  ( 0.40,  0.13,  0.77)
179:     torsion (  0.285,  -0.498,  -0.291)  (  0.290,  -0.487,  -0.286)  ( 0.15,  0.53,  0.15)
179:     oop     (  0.008,  -0.016,  -0.005)  (  0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
179:     vdw     ( 39.697, -46.373,  28.939)  ( 39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       (-186.980, 202.096, -156.771)  (-186.928, 202.126, -156.738)  ( 0.03,  0.02,  0.02)
179:     bond    (-168.105, 212.732, -92.784)  (-168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
179:     angle   ( -0.721,  -0.152,  -0.061)  ( -0.706,  -0.143,  -0.050)  ( 1.04,  0.14,  0.07)
179:     torsion ( -0.231,   0.300,   0.267)  ( -0.226,   0.310,   0.273)  ( 0.12,  0.30,  0.16)
179:     oop     ( -0.003,   0.008,   0.007)  (  0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (-17.920, -10.793, -64.201)  (-17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       (-27.328, -298.242, -97.594)  (-27.307, -298.201, -97.544)  ( 0.08,  0.01,  0.05)
179:     bond    (-74.029, -270.205, -57.277)  (-74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.163,   0.617,  -0.313)  ( -0.154,   0.629,  -0.299)  ( 0.14,  0.74,  0.44)
179:     torsion (  0.476,   0.281,  -0.295)  (  0.487,   0.286,  -0.290)  ( 0.51,  0.14,  0.16)
179:     oop     (  0.016,   0.005,  -0.008)  (  0.007,  -0.000,  -0.003)  ( 0.01,  0.00,  0.00)
179:     vdw     ( 46.371, -28.940, -39.700)  ( 46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       (156.695, -186.980, 202.096)  (156.738, -186.928, 202.126)  ( 0.03,  0.03,  0.02)
179:     bond    ( 92.745, -168.105, 212.732)  ( 92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
179:     angle   (  0.038,  -0.721,  -0.152)  (  0.050,  -0.706,  -0.143)  ( 0.04,  1.04,  0.14)
179:     torsion ( -0.279,  -0.231,   0.300)  ( -0.273,  -0.226,   0.310)  ( 0.17,  0.12,  0.30)
179:     oop     ( -0.008,  -0.003,   0.008)  ( -0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 64.199, -17.920, -10.793)  ( 64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       (298.150,  97.504,  27.266)  (298.201,  97.544,  27.307)  ( 0.02,  0.04,  0.15)
179:     bond    (270.148,  57.230,  74.008)  (270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
179:     angle   ( -0.641,   0.285,   0.145)  ( -0.629,   0.299,   0.154)  ( 0.77,  0.40,  0.13)
179:     torsion ( -0.291,   0.285,  -0.498)  ( -0.286,   0.290,  -0.487)  ( 0.15,  0.15,  0.53)
179:     oop     ( -0.005,   0.008,  -0.016)  (  0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
179:     vdw     ( 28.939,  39.697, -46.373)  ( 28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       ( -0.049, 281.242, 143.041)  (  0.000, 281.292, 143.058)  ( 0.24,  0.02,  0.01)
179:     bond    ( -0.026, 223.722, 177.585)  (  0.000, 223.752, 177.591)  ( 0.07,  0.01,  0.00)
179:     angle   ( -0.016,   0.102,   0.404)  (  0.000,   0.115,   0.410)  ( 0.03,  0.14,  0.23)
179:     torsion ( -0.005,  -0.107,   0.325)  (  0.000,  -0.104,   0.338)  ( 0.00,  0.03,  0.44)
179:     oop     ( -0.000,  -0.006,   0.012)  (  0.000,  -0.004,   0.005)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.002,  57.531, -35.285)  (  0.000,  57.532, -35.285)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       (156.695, 186.884, 202.096)  (156.738, 186.928, 202.126)  ( 0.03,  0.02,  0.02)
179:     bond    ( 92.745, 168.051, 212.732)  ( 92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
179:     angle   (  0.038,   0.692,  -0.152)  (  0.050,   0.706,  -0.143)  ( 0.04,  0.99,  0.14)
179:     torsion ( -0.279,   0.221,   0.300)  ( -0.273,   0.226,   0.310)  ( 0.17,  0.11,  0.30)
179:     oop     ( -0.008,   0.003,   0.008)  ( -0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 64.199,  17.918, -10.793)  ( 64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       (-156.771, 186.884, 202.096)  (-156.738, 186.928, 202.126)  ( 0.02,  0.02,  0.02)
179:     bond    (-92.784, 168.051, 212.732)  (-92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
179:     angle   ( -0.061,   0.692,  -0.152)  ( -0.050,   0.706,  -0.143)  ( 0.07,  0.99,  0.14)
179:     torsion (  0.267,   0.221,   0.300)  (  0.273,   0.226,   0.310)  ( 0.16,  0.11,  0.30)
179:     oop     (  0.007,   0.003,   0.008)  (  0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (-64.201,  17.918, -10.793)  (-64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       (186.884, 202.096, -156.771)  (186.928, 202.126, -156.738)  ( 0.02,  0.02,  0.02)
179:     bond    (168.051, 212.732, -92.784)  (168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
179:     angle   (  0.692,  -0.152,  -0.061)  (  0.706,  -0.143,  -0.050)  ( 0.99,  0.14,  0.07)
179:     torsion (  0.221,   0.300,   0.267)  (  0.226,   0.310,   0.273)  ( 0.11,  0.30,  0.16)
179:     oop     (  0.003,   0.008,   0.007)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 17.918, -10.793, -64.201)  ( 17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       (-298.242, -97.594,  27.266)  (-298.201, -97.544,  27.307)  ( 0.01,  0.05,  0.15)
179:     bond    (-270.205, -57.277,  74.008)  (-270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
179:     angle   (  0.617,  -0.313,   0.145)  (  0.629,  -0.299,   0.154)  ( 0.74,  0.44,  0.13)
179:     torsion (  0.281,  -0.295,  -0.498)  (  0.286,  -0.290,  -0.487)  ( 0.14,  0.16,  0.53)
179:     oop     (  0.005,  -0.008,  -0.016)  ( -0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
179:     vdw     (-28.940, -39.700, -46.373)  (-28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       (298.150, -97.594,  27.266)  (298.201, -97.544,  27.307)  ( 0.02,  0.05,  0.15)
179:     bond    (270.148, -57.277,  74.008)  (270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
179:     angle   ( -0.641,  -0.313,   0.145)  ( -0.629,  -0.299,   0.154)  ( 0.77,  0.44,  0.13)
179:     torsion ( -0.291,  -0.295,  -0.498)  ( -0.286,  -0.290,  -0.487)  ( 0.15,  0.16,  0.53)
179:     oop     ( -0.005,  -0.008,  -0.016)  (  0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
179:     vdw     ( 28.939, -39.700, -46.373)  ( 28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       ( -0.049, -281.337, 143.041)  ( -0.000, -281.292, 143.058)  ( 0.24,  0.02,  0.01)
179:     bond    ( -0.026, -223.783, 177.585)  (  0.000, -223.752, 177.591)  ( 0.07,  0.01,  0.00)
179:     angle   ( -0.016,  -0.129,   0.404)  (  0.000,  -0.115,   0.410)  ( 0.03,  0.17,  0.23)
179:     torsion ( -0.005,   0.101,   0.325)  ( -0.000,   0.104,   0.338)  ( 0.00,  0.03,  0.44)
179:     oop     ( -0.000,   0.006,   0.012)  (  0.000,   0.004,   0.005)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.002, -57.533, -35.285)  (  0.000, -57.532, -35.285)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 18 # gradients 
179: ok 19 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (187.442, -80.908,  -3.672)  (187.494, -80.846,  -3.733)  ( 0.03,  0.08,  1.66)
179:     bond    (  9.662,  34.813,  -0.219)  (  9.689,  34.853,  -0.218)  ( 0.28,  0.11,  0.01)
179:     angle   (232.233, -14.543,   3.991)  (232.257, -14.524,   3.990)  ( 0.01,  0.13,  0.02)
179:     torsion (  0.100,   0.118,  -8.823)  (  0.100,   0.118,  -8.791)  ( 0.00,  0.00,  0.36)
179:     oop     ( -0.001,  -0.003,   0.894)  ( -0.002,  -0.003,   0.802)  ( 0.00,  0.00,  8.27)
179:     vdw     (-54.552, -101.293,   0.486)  (-54.551, -101.291,   0.485)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-396.877, -26.391,  23.123)  (-396.817, -26.325,  23.254)  ( 0.01,  0.25,  0.57)
179:     bond    (-22.671, -12.760,  -0.575)  (-22.641, -12.714,  -0.575)  ( 0.13,  0.36,  0.02)
179:     angle   (-380.611,  45.357,   7.464)  (-380.585,  45.376,   7.462)  ( 0.01,  0.04,  0.02)
179:     torsion (  0.072,  -0.068,  18.770)  (  0.072,  -0.068,  18.797)  ( 0.00,  0.00,  0.14)
179:     oop     ( -0.004,   0.005,  -0.395)  ( -0.003,   0.004,  -0.290)  ( 0.00,  0.00,  4.18)
179:     vdw     (  6.338, -58.925,  -2.140)  (  6.339, -58.923,  -2.140)  ( 0.02,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (197.838, -192.492,  -5.916)  (197.900, -192.435,  -5.979)  ( 0.03,  0.03,  1.07)
179:     bond    ( 83.338, -37.167,  -0.934)  ( 83.375, -37.127,  -0.933)  ( 0.04,  0.11,  0.03)
179:     angle   ( 68.449, -156.536,  -1.508)  ( 68.474, -156.520,  -1.506)  ( 0.04,  0.01,  0.11)
179:     torsion (  0.111,   0.566,  -3.763)  (  0.111,   0.566,  -3.744)  ( 0.00,  0.00,  0.52)
179:     oop     (  0.003,   0.002,   0.314)  (  0.002,   0.002,   0.229)  ( 0.00,  0.00,  2.66)
179:     vdw     ( 45.937,   0.643,  -0.025)  ( 45.938,   0.643,  -0.025)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (131.699, 142.709,  -5.048)  (131.773, 142.790,  -4.744)  ( 0.06,  0.06,  6.03)
179:     bond    (-39.328, -45.304,   0.742)  (-39.285, -45.259,   0.742)  ( 0.11,  0.10,  0.03)
179:     angle   (108.956, 100.526,  -1.495)  (108.984, 100.556,  -1.495)  ( 0.03,  0.03,  0.00)
179:     torsion ( -0.239,   0.068,   2.388)  ( -0.239,   0.068,   2.407)  ( 0.00,  0.00,  0.80)
179:     oop     ( -0.011,  -0.015,  -1.688)  ( -0.009,  -0.013,  -1.402)  ( 0.00,  0.00, 16.93)
179:     vdw     ( 62.322,  87.435,  -4.995)  ( 62.324,  87.438,  -4.995)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( 79.288,  88.861,  -5.940)  ( 79.309,  88.889,  -6.055)  ( 0.03,  0.03,  1.93)
179:     bond    ( 34.251,  59.094,  -0.793)  ( 34.260,  59.119,  -0.793)  ( 0.02,  0.04,  0.02)
179:     angle   (-11.405,   6.603,   0.172)  (-11.396,   6.606,   0.172)  ( 0.08,  0.05,  0.00)
179:     torsion (  0.029,   0.039,   4.126)  (  0.029,   0.039,   4.129)  ( 0.00,  0.00,  0.09)
179:     oop     (  0.005,   0.007,   0.781)  (  0.005,   0.006,   0.663)  ( 0.00,  0.00,  9.23)
179:     vdw     ( 56.408,  23.118, -10.227)  ( 56.411,  23.119, -10.227)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-182.051, 166.429,  -7.813)  (-181.992, 166.491,  -7.960)  ( 0.03,  0.04,  1.88)
179:     bond    (-39.410,  95.923,  -0.988)  (-39.370,  95.959,  -0.988)  ( 0.10,  0.04,  0.02)
179:     angle   (-109.318,  15.492,   3.850)  (-109.301,  15.517,   3.853)  ( 0.02,  0.16,  0.06)
179:     torsion ( -0.591,  -0.333, -11.745)  ( -0.591,  -0.333, -11.729)  ( 0.00,  0.00,  0.13)
179:     oop     (  0.000,   0.002,   1.006)  (  0.000,   0.002,   0.841)  ( 0.00,  0.00, 16.39)
179:     vdw     (-32.732,  55.345,   0.063)  (-32.732,  55.346,   0.063)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( 82.852, -217.208, -27.768)  ( 82.921, -217.147, -27.253)  ( 0.08,  0.03,  1.85)
179:     bond    (103.129, -71.073,   0.420)  (103.176, -71.040,   0.419)  ( 0.05,  0.05,  0.01)
179:     angle   ( 14.800, -138.621,  -2.387)  ( 14.823, -138.595,  -2.387)  ( 0.16,  0.02,  0.04)
179:     torsion (  0.228,  -0.269, -19.945)  (  0.228,  -0.269, -19.923)  ( 0.00,  0.00,  0.11)
179:     oop     (  0.013,   0.003,  -3.052)  (  0.011,   0.003,  -2.558)  ( 0.00,  0.00, 16.19)
179:     vdw     (-35.317,  -7.247,  -2.804)  (-35.316,  -7.246,  -2.804)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (-107.292, -13.736,  -1.515)  (-107.256, -13.723,  -1.763)  ( 0.03,  0.09, 16.41)
179:     bond    (-79.086,   1.050,  -0.525)  (-79.052,   1.050,  -0.525)  ( 0.04,  0.03,  0.02)
179:     angle   (  0.265,  19.773,  -0.294)  (  0.265,  19.784,  -0.294)  ( 0.00,  0.06,  0.01)
179:     torsion ( -0.008,   0.006,   1.224)  ( -0.008,   0.006,   1.228)  ( 0.00,  0.00,  0.33)
179:     oop     ( -0.009,  -0.002,   1.346)  ( -0.007,  -0.001,   1.094)  ( 0.00,  0.00, 18.72)
179:     vdw     (-28.454, -34.564,  -3.267)  (-28.453, -34.562,  -3.267)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-172.086,  17.247, -12.385)  (-172.027,  17.299, -12.279)  ( 0.03,  0.30,  0.86)
179:     bond    (-38.220, -32.802,  -1.579)  (-38.178, -32.765,  -1.579)  ( 0.11,  0.11,  0.04)
179:     angle   (-138.590,  57.157,   0.565)  (-138.571,  57.174,   0.567)  ( 0.01,  0.03,  0.11)
179:     torsion (  0.161,   0.048, -10.926)  (  0.161,   0.048, -10.901)  ( 0.00,  0.00,  0.23)
179:     oop     (  0.004,   0.008,  -0.407)  (  0.003,   0.007,  -0.328)  ( 0.00,  0.00,  3.21)
179:     vdw     (  4.559,  -7.165,  -0.038)  (  4.559,  -7.165,  -0.038)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (169.232,  18.020,   5.417)  (169.270,  18.061,   5.349)  ( 0.02,  0.22,  1.25)
179:     bond    (-55.806,   6.948,   0.149)  (-55.784,   6.982,   0.149)  ( 0.04,  0.49,  0.01)
179:     angle   (244.355,  31.756,  -3.708)  (244.371,  31.761,  -3.707)  ( 0.01,  0.02,  0.04)
179:     torsion (  0.150,  -0.110,   9.934)  (  0.150,  -0.110,   9.943)  ( 0.00,  0.00,  0.09)
179:     oop     (  0.003,  -0.006,   0.421)  (  0.002,  -0.005,   0.343)  ( 0.00,  0.00,  3.31)
179:     vdw     (-19.470, -20.567,  -1.378)  (-19.470, -20.567,  -1.379)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (-12.606,  65.636,  -0.581)  (-12.553,  65.688,  -0.517)  ( 0.42,  0.08,  3.76)
179:     bond    (  5.458,  28.969,   0.248)  (  5.496,  29.002,   0.248)  ( 0.70,  0.11,  0.01)
179:     angle   (-33.346,  33.342,   0.302)  (-33.332,  33.362,   0.303)  ( 0.04,  0.06,  0.03)
179:     torsion ( -0.008,   0.046,  -1.233)  ( -0.008,   0.046,  -1.216)  ( 0.00,  0.00,  1.42)
179:     oop     ( -0.001,   0.004,  -0.208)  ( -0.001,   0.003,  -0.162)  ( 0.00,  0.00,  0.95)
179:     vdw     ( 15.292,   3.276,   0.310)  ( 15.292,   3.276,   0.310)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (121.758,  22.361,  13.948)  (121.796,  22.396,  13.907)  ( 0.03,  0.16,  0.29)
179:     bond    (132.390,  45.819,   4.435)  (132.415,  45.839,   4.454)  ( 0.02,  0.04,  0.41)
179:     angle   ( -2.089,  -2.617,  -0.059)  ( -2.077,  -2.605,  -0.050)  ( 0.56,  0.48,  0.05)
179:     torsion ( -0.309,   0.397,   9.614)  ( -0.309,   0.399,   9.619)  ( 0.01,  0.06,  0.06)
179:     oop     ( -0.003,  -0.005,   0.279)  ( -0.002,  -0.004,   0.205)  ( 0.00,  0.00,  2.04)
179:     vdw     ( -8.231, -21.233,  -0.321)  ( -8.231, -21.233,  -0.321)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-99.503, -29.622,   1.878)  (-99.465, -29.589,   1.866)  ( 0.04,  0.11,  0.61)
179:     bond    (-143.684,  -2.026,   1.231)  (-143.658,  -2.008,   1.249)  ( 0.02,  0.90,  1.49)
179:     angle   (  5.465,   2.016,  -2.523)  (  5.477,   2.029,  -2.514)  ( 0.21,  0.64,  0.34)
179:     torsion (  0.033,  -0.108,   2.900)  (  0.033,  -0.108,   2.903)  ( 0.00,  0.00,  0.10)
179:     oop     (  0.003,   0.000,   0.231)  (  0.002,   0.000,   0.189)  ( 0.00,  0.00,  0.95)
179:     vdw     ( 38.681, -29.504,   0.040)  ( 38.682, -29.503,   0.039)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       ( 37.582, -74.411,   1.587)  ( 37.616, -74.375,   1.573)  ( 0.09,  0.05,  0.86)
179:     bond    ( 71.123, -130.243,   0.491)  ( 71.143, -130.219,   0.509)  ( 0.03,  0.02,  0.90)
179:     angle   ( -1.091,   8.131,  -4.336)  ( -1.079,   8.143,  -4.327)  ( 1.15,  0.15,  0.20)
179:     torsion (  0.265,   0.210,   5.207)  (  0.264,   0.209,   5.209)  ( 0.02,  0.00,  0.03)
179:     oop     ( -0.001,   0.003,   0.268)  ( -0.001,   0.002,   0.226)  ( 0.00,  0.00,  1.12)
179:     vdw     (-32.714,  47.488,  -0.043)  (-32.712,  47.489,  -0.043)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       (  3.920,  23.932,   2.654)  (  3.926,  23.948,   2.615)  ( 0.15,  0.07,  1.49)
179:     bond    ( -0.122,  26.490,   0.583)  ( -0.122,  26.505,   0.584)  ( 0.00,  0.06,  0.01)
179:     angle   ( -1.585,   0.003,  -0.446)  ( -1.579,   0.003,  -0.446)  ( 0.35,  0.00,  0.01)
179:     torsion (  0.009,  -0.051,   2.319)  (  0.009,  -0.051,   2.323)  ( 0.00,  0.00,  0.18)
179:     oop     (  0.000,  -0.004,   0.190)  (  0.000,  -0.003,   0.147)  ( 0.00,  0.00,  0.83)
179:     vdw     (  5.617,  -2.505,   0.007)  (  5.617,  -2.505,   0.007)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (-12.966, -57.351,   0.642)  (-12.962, -57.337,   0.645)  ( 0.03,  0.02,  0.16)
179:     bond    ( -0.882, -53.411,  -2.255)  ( -0.883, -53.397,  -2.256)  ( 0.02,  0.03,  0.01)
179:     angle   (  3.775,  -0.050,  -0.306)  (  3.779,  -0.050,  -0.304)  ( 0.10,  0.00,  0.06)
179:     torsion ( -0.013,  -0.150,   3.548)  ( -0.013,  -0.150,   3.549)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-15.846,  -3.741,  -0.345)  (-15.846,  -3.741,  -0.345)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (-29.773,  13.507,  42.731)  (-29.768,  13.511,  42.741)  ( 0.02,  0.03,  0.02)
179:     bond    (-23.962,  15.581,  42.293)  (-23.959,  15.583,  42.302)  ( 0.01,  0.01,  0.02)
179:     angle   ( -0.566,  -0.453,  -0.154)  ( -0.563,  -0.450,  -0.153)  ( 0.15,  0.10,  0.01)
179:     torsion ( -0.955,   2.888,  -1.605)  ( -0.955,   2.888,  -1.605)  ( 0.01,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.291,  -4.509,   2.197)  ( -4.291,  -4.509,   2.197)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (-28.873,  10.784, -48.345)  (-28.867,  10.788, -48.335)  ( 0.02,  0.04,  0.02)
179:     bond    (-24.956,  20.128, -43.024)  (-24.953,  20.130, -43.016)  ( 0.01,  0.01,  0.02)
179:     angle   (  0.068,  -0.407,  -0.231)  (  0.070,  -0.404,  -0.230)  ( 0.02,  0.09,  0.02)
179:     torsion (  1.119,  -3.172,  -2.133)  (  1.119,  -3.171,  -2.133)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.103,  -5.766,  -2.956)  ( -5.103,  -5.766,  -2.956)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( 23.298,  35.268, -45.037)  ( 23.302,  35.270, -45.025)  ( 0.02,  0.01,  0.03)
179:     bond    ( 17.270,  13.747, -49.394)  ( 17.271,  13.748, -49.382)  ( 0.01,  0.00,  0.02)
179:     angle   (  0.687,  -0.016,   0.237)  (  0.690,  -0.014,   0.237)  ( 0.23,  0.00,  0.01)
179:     torsion ( -0.153,  23.491,   6.486)  ( -0.153,  23.491,   6.486)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.494,  -1.954,  -2.366)  (  5.494,  -1.954,  -2.366)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( 49.465, -47.655,  -7.150)  ( 49.470, -47.643,  -7.148)  ( 0.01,  0.03,  0.03)
179:     bond    ( 19.007, -49.046,  12.655)  ( 19.008, -49.035,  12.656)  ( 0.01,  0.02,  0.00)
179:     angle   ( -5.104,  -1.936,   0.159)  ( -5.101,  -1.936,   0.161)  ( 0.06,  0.03,  0.03)
179:     torsion ( -0.199,  -6.185, -23.664)  ( -0.199,  -6.185, -23.664)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 35.760,   9.512,   3.699)  ( 35.761,   9.512,   3.699)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       ( 39.119,  10.672,  60.557)  ( 39.124,  10.680,  60.564)  ( 0.01,  0.07,  0.01)
179:     bond    ( 18.322,  36.440,  36.440)  ( 18.324,  36.446,  36.446)  ( 0.01,  0.02,  0.02)
179:     angle   ( -1.098,   0.558,  -0.010)  ( -1.095,   0.559,  -0.009)  ( 0.30,  0.07,  0.00)
179:     torsion (  0.352, -17.349,  17.172)  (  0.352, -17.349,  17.172)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 21.543,  -8.977,   6.954)  ( 21.543,  -8.977,   6.954)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (-35.374,  34.391,  58.122)  (-35.364,  34.395,  58.128)  ( 0.03,  0.01,  0.01)
179:     bond    (-43.660,  -2.568,  33.124)  (-43.652,  -2.568,  33.129)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.091,  -2.152,  -0.047)  (  0.092,  -2.149,  -0.046)  ( 0.01,  0.16,  0.01)
179:     torsion ( 11.893,   6.719,  16.191)  ( 11.893,   6.719,  16.191)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.697,  32.392,   8.854)  ( -3.697,  32.393,   8.854)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (-10.234,  81.938,   8.082)  (-10.225,  81.948,   8.084)  ( 0.08,  0.01,  0.03)
179:     bond    ( 33.600,  40.238,  17.334)  ( 33.605,  40.245,  17.335)  ( 0.01,  0.02,  0.01)
179:     angle   (  5.938,  -5.064,   0.237)  (  5.940,  -5.063,   0.239)  ( 0.04,  0.03,  0.04)
179:     torsion (  6.440,   3.280, -20.101)  (  6.440,   3.280, -20.101)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-56.212,  43.484,  10.612)  (-56.211,  43.485,  10.612)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (-36.608,   7.264, -47.950)  (-36.605,   7.267, -47.938)  ( 0.01,  0.05,  0.03)
179:     bond    (-16.227,  10.670, -49.969)  (-16.226,  10.670, -49.957)  ( 0.01,  0.00,  0.02)
179:     angle   ( -0.546,   1.436,   0.484)  ( -0.544,   1.439,   0.484)  ( 0.11,  0.22,  0.02)
179:     torsion (-18.485, -10.083,   3.851)  (-18.486, -10.083,   3.851)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.349,   5.242,  -2.315)  ( -1.349,   5.242,  -2.315)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 20 # gradients 
179: ok 21 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-153.373, -69.971,  55.658)  (-153.332, -69.935,  55.694)  ( 0.03,  0.05,  0.07)
179:     bond    (-118.434, -27.963, 117.758)  (-118.409, -27.941, 117.778)  ( 0.02,  0.08,  0.02)
179:     angle   ( -7.105, -15.058, -47.730)  ( -7.090, -15.044, -47.715)  ( 0.21,  0.09,  0.03)
179:     torsion (-10.090,  -9.856, -13.607)  (-10.088,  -9.856, -13.605)  ( 0.01,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-17.745, -17.094,  -0.764)  (-17.744, -17.094,  -0.764)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( -6.942,  13.081,  20.181)  ( -6.908,  13.113,  20.212)  ( 0.49,  0.24,  0.15)
179:     bond    ( 93.283, -23.271, -11.981)  ( 93.302, -23.251, -11.964)  ( 0.02,  0.09,  0.15)
179:     angle   (-28.134,  11.848,  54.240)  (-28.122,  11.859,  54.251)  ( 0.04,  0.09,  0.02)
179:     torsion (-32.898,  14.666,   8.358)  (-32.896,  14.667,   8.361)  ( 0.00,  0.01,  0.03)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-39.193,   9.837, -30.436)  (-39.192,   9.837, -30.436)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( 22.168,   8.186, -22.647)  ( 22.201,   8.219, -22.615)  ( 0.15,  0.41,  0.14)
179:     bond    ( 34.130, -72.157, 129.290)  ( 34.151, -72.139, 129.309)  ( 0.06,  0.03,  0.01)
179:     angle   ( -1.163,  40.049, -91.327)  ( -1.152,  40.060, -91.316)  ( 0.98,  0.03,  0.01)
179:     torsion (  9.461,  19.306, -33.473)  (  9.462,  19.309, -33.471)  ( 0.01,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-20.260,  20.988, -27.137)  (-20.259,  20.989, -27.136)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( 19.565, -52.815,  20.846)  ( 19.599, -52.756,  21.009)  ( 0.17,  0.11,  0.78)
179:     bond    ( 48.823,  84.861, -70.006)  ( 48.843,  84.880, -69.987)  ( 0.04,  0.02,  0.03)
179:     angle   ( -5.522, -77.195,  86.084)  ( -5.510, -77.183,  86.093)  ( 0.22,  0.02,  0.01)
179:     torsion (-12.453, -18.900,  -6.728)  (-12.453, -18.900,  -6.726)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.003,  -0.171,  -0.864)  ( -0.003,  -0.144,  -0.731)  ( 0.00,  0.46, 11.49)
179:     vdw     (-11.280, -41.409,  12.360)  (-11.279, -41.408,  12.360)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-74.504,  88.704, -49.250)  (-74.460,  88.676, -49.561)  ( 0.06,  0.03,  0.63)
179:     bond    (-49.325,  74.332,  -9.055)  (-49.296,  74.356,  -9.054)  ( 0.06,  0.03,  0.02)
179:     angle   (-37.756,  68.135, -81.092)  (-37.744,  68.149, -81.087)  ( 0.03,  0.02,  0.01)
179:     torsion (  9.057,  -4.154,  31.762)  (  9.058,  -4.154,  31.771)  ( 0.00,  0.02,  0.03)
179:     oop     ( -0.002,   0.412,   2.075)  ( -0.002,   0.345,   1.748)  ( 0.00,  2.74, 15.78)
179:     vdw     (  3.522, -50.020,   7.060)  (  3.523, -50.020,   7.060)  ( 0.04,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( 33.890, -79.244,  24.868)  ( 33.942, -79.224,  24.727)  ( 0.15,  0.03,  0.56)
179:     bond    ( -0.246,  24.304,  -2.518)  ( -0.216,  24.326,  -2.517)  ( 0.72,  0.09,  0.05)
179:     angle   ( 17.675, -45.694,  20.609)  ( 17.684, -45.680,  20.610)  ( 0.05,  0.03,  0.01)
179:     torsion ( -2.010,  -7.625, -12.160)  ( -2.010,  -7.624, -12.145)  ( 0.01,  0.01,  0.13)
179:     oop     ( -0.087,   0.129,   1.010)  ( -0.074,   0.111,   0.851)  ( 0.12,  0.23, 15.68)
179:     vdw     ( 18.558, -50.358,  17.928)  ( 18.559, -50.356,  17.928)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( -6.479,  29.201, -24.347)  ( -6.453,  29.250, -24.212)  ( 0.41,  0.17,  0.56)
179:     bond    (-86.066,  82.942,   2.549)  (-86.047,  82.962,   2.567)  ( 0.02,  0.02,  0.71)
179:     angle   ( 65.451, -10.781, -20.767)  ( 65.463, -10.769, -20.759)  ( 0.02,  0.11,  0.04)
179:     torsion (  4.651, -11.128, -21.212)  (  4.652, -11.128, -21.208)  ( 0.02,  0.01,  0.02)
179:     oop     (  0.039,  -0.090,  -0.588)  (  0.033,  -0.075,  -0.483)  ( 0.03,  0.14,  6.18)
179:     vdw     (  9.445, -31.740,  15.670)  (  9.446, -31.740,  15.671)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (-50.352, -14.112,  19.394)  (-50.316, -14.075,  19.428)  ( 0.07,  0.26,  0.18)
179:     bond    ( -4.083, -21.222, -134.545)  ( -4.063, -21.202, -134.526)  ( 0.49,  0.09,  0.01)
179:     angle   (-64.949,  37.155, 145.170)  (-64.935,  37.168, 145.182)  ( 0.02,  0.04,  0.01)
179:     torsion (-11.505,  -5.383,   9.994)  (-11.504,  -5.381,   9.996)  ( 0.01,  0.04,  0.03)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 30.185, -24.662,  -1.225)  ( 30.186, -24.661,  -1.224)  ( 0.00,  0.00,  0.02)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       ( 19.680,  49.353,  29.199)  ( 19.719,  49.388,  29.233)  ( 0.20,  0.07,  0.12)
179:     bond    (-47.975,  73.579,  64.884)  (-47.954,  73.599,  64.903)  ( 0.05,  0.03,  0.03)
179:     angle   ( 40.405,  20.098, -37.865)  ( 40.420,  20.112, -37.852)  ( 0.04,  0.07,  0.03)
179:     torsion ( -6.307, -21.411, -22.443)  ( -6.305, -21.409, -22.440)  ( 0.03,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 33.556, -22.914,  24.622)  ( 33.557, -22.913,  24.623)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       ( 15.692,   0.042, -50.217)  ( 15.721,   0.074, -50.188)  ( 0.19,  0.14,  0.06)
179:     bond    ( 17.964, 117.602, -67.197)  ( 17.982, 117.622, -67.178)  ( 0.10,  0.02,  0.03)
179:     angle   (-40.242, -75.341,  51.453)  (-40.231, -75.329,  51.464)  ( 0.03,  0.02,  0.02)
179:     torsion (  5.566, -24.566, -27.007)  (  5.566, -24.565, -27.008)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 32.404, -17.654,  -7.466)  ( 32.405, -17.653,  -7.466)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (-21.940,   1.245, -20.594)  (-21.909,   1.274, -20.565)  ( 0.15,  2.34,  0.14)
179:     bond    (-151.842, -12.958, -56.391)  (-151.822, -12.939, -56.372)  ( 0.01,  0.14,  0.03)
179:     angle   (120.348,  37.858,  32.910)  (120.361,  37.868,  32.920)  ( 0.01,  0.03,  0.03)
179:     torsion ( -1.948,   4.264,   6.229)  ( -1.949,   4.263,   6.228)  ( 0.03,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.501, -27.918,  -3.341)  ( 11.501, -27.917,  -3.341)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-34.430,  10.516,  70.214)  (-34.397,  10.554,  70.245)  ( 0.10,  0.36,  0.04)
179:     bond    (-90.912, 117.802, 125.753)  (-90.893, 117.824, 125.773)  ( 0.02,  0.02,  0.02)
179:     angle   ( 31.272, -134.270, -78.723)  ( 31.285, -134.256, -78.712)  ( 0.04,  0.01,  0.01)
179:     torsion ( 10.256,  30.515,   9.567)  ( 10.257,  30.516,   9.568)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.953,  -3.531,  13.616)  ( 14.954,  -3.530,  13.617)  ( 0.00,  0.02,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (  1.059,  33.761, -43.609)  (  1.093,  33.795, -43.577)  ( 3.21,  0.10,  0.07)
179:     bond    (132.862, -184.020, -37.633)  (132.882, -184.000, -37.613)  ( 0.02,  0.01,  0.05)
179:     angle   (-133.412, 190.940,  17.812)  (-133.399, 190.953,  17.823)  ( 0.01,  0.01,  0.06)
179:     torsion ( -3.930,  23.835, -14.652)  ( -3.929,  23.837, -14.651)  ( 0.02,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.539,   3.005,  -9.136)  (  5.539,   3.005,  -9.136)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       ( -9.168,  -5.874,  -3.147)  ( -9.136,  -5.841,  -3.117)  ( 0.35,  0.56,  0.96)
179:     bond    (-159.132, 160.549, -91.198)  (-159.112, 160.569, -91.179)  ( 0.01,  0.01,  0.02)
179:     angle   (137.891, -183.388,  64.718)  (137.902, -183.377,  64.727)  ( 0.01,  0.01,  0.01)
179:     torsion (  6.365,   0.090,  14.498)  (  6.366,   0.091,  14.500)  ( 0.01,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.708,  16.876,   8.835)  (  5.708,  16.877,   8.835)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       (-22.747,  -7.527,  -2.453)  (-22.715,  -7.494,  -2.424)  ( 0.14,  0.44,  1.22)
179:     bond    ( 76.533, -190.531,  43.415)  ( 76.553, -190.512,  43.434)  ( 0.03,  0.01,  0.04)
179:     angle   (-103.016, 195.873, -65.251)  (-103.005, 195.885, -65.243)  ( 0.01,  0.01,  0.01)
179:     torsion ( -9.947,   8.312,  -0.300)  ( -9.946,   8.313,  -0.297)  ( 0.01,  0.01,  0.06)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 13.682, -21.181,  19.682)  ( 13.683, -21.180,  19.683)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( -8.745,   0.117,  51.246)  ( -8.712,   0.149,  51.276)  ( 0.37,  0.37,  0.06)
179:     bond    (-75.225, 151.138, -61.792)  (-75.205, 151.157, -61.773)  ( 0.03,  0.01,  0.03)
179:     angle   ( 62.075, -144.854,  68.861)  ( 62.087, -144.843,  68.870)  ( 0.02,  0.01,  0.01)
179:     torsion (  7.495,  -5.083,  45.088)  (  7.495,  -5.082,  45.090)  ( 0.00,  0.02,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.090,  -1.084,  -0.911)  ( -3.090,  -1.084,  -0.911)  ( 0.01,  0.04,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( 25.523,   1.799,  -0.167)  ( 25.556,   1.834,  -0.136)  ( 0.13,  1.97,  0.52)
179:     bond    (-18.136, -82.738, 108.231)  (-18.117, -82.716, 108.249)  ( 0.11,  0.03,  0.02)
179:     angle   ( 17.917,  69.072, -92.513)  ( 17.930,  69.084, -92.502)  ( 0.07,  0.02,  0.01)
179:     torsion ( 17.104,  12.259, -16.637)  ( 17.105,  12.260, -16.635)  ( 0.01,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.639,   3.206,   0.752)  (  8.639,   3.206,   0.752)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       ( -1.860, -10.840,  31.164)  ( -1.831, -10.812,  31.192)  ( 1.59,  0.26,  0.09)
179:     bond    ( 59.323, -67.341, -22.835)  ( 59.341, -67.322, -22.816)  ( 0.03,  0.03,  0.08)
179:     angle   (-73.315,  25.387,  34.174)  (-73.305,  25.396,  34.183)  ( 0.01,  0.03,  0.03)
179:     torsion ( 17.309,   4.534,  25.099)  ( 17.310,   4.534,  25.101)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.178,  26.580,  -5.275)  ( -5.177,  26.580,  -5.275)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (-12.415, -17.062, -31.821)  (-12.385, -17.032, -31.792)  ( 0.24,  0.17,  0.09)
179:     bond    (-106.875,  -6.292, -41.131)  (-106.856,  -6.274, -41.113)  ( 0.02,  0.29,  0.04)
179:     angle   ( 56.550,  -8.060,  40.383)  ( 56.559,  -8.051,  40.392)  ( 0.02,  0.12,  0.02)
179:     torsion ( 10.529,  -5.637, -24.337)  ( 10.530,  -5.635, -24.336)  ( 0.00,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 27.381,   2.927,  -6.735)  ( 27.381,   2.928,  -6.735)  ( 0.00,  0.02,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (-21.251,   7.931,  21.259)  (-21.222,   7.962,  21.288)  ( 0.14,  0.38,  0.14)
179:     bond    ( 23.687, -49.666, 112.171)  ( 23.705, -49.648, 112.191)  ( 0.08,  0.04,  0.02)
179:     angle   (  5.209,  34.652, -63.076)  (  5.219,  34.662, -63.067)  ( 0.18,  0.03,  0.01)
179:     torsion (-21.776,  -6.463,   0.221)  (-21.775,  -6.461,   0.222)  ( 0.01,  0.02,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-28.372,  29.408, -28.058)  (-28.371,  29.410, -28.058)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       ( 24.080, -69.418, -20.760)  ( 24.120, -69.382, -20.722)  ( 0.16,  0.05,  0.18)
179:     bond    (135.254, -12.790, -16.925)  (135.277, -12.771, -16.904)  ( 0.02,  0.15,  0.12)
179:     angle   (-108.854, -51.139, -21.709)  (-108.838, -51.125, -21.694)  ( 0.01,  0.03,  0.07)
179:     torsion (-15.523, -14.689,  20.072)  (-15.522, -14.687,  20.073)  ( 0.01,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 13.203,   9.200,  -2.198)  ( 13.203,   9.201,  -2.198)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  5.068,  -3.362,  12.702)  (  5.098,  -3.332,  12.731)  ( 0.59,  0.88,  0.24)
179:     bond    ( 36.092, -60.119, -133.482)  ( 36.109, -60.101, -133.463)  ( 0.05,  0.03,  0.01)
179:     angle   (-21.003,  23.373,  98.749)  (-20.993,  23.382,  98.758)  ( 0.05,  0.04,  0.01)
179:     torsion (  4.464, -11.648,   6.174)  (  4.466, -11.646,   6.175)  ( 0.03,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.485,  45.031,  41.261)  (-14.484,  45.032,  41.261)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -1.075,  35.661, -27.232)  ( -1.043,  35.694, -27.200)  ( 3.02,  0.09,  0.12)
179:     bond    (-59.491, -98.316, 109.543)  (-59.471, -98.297, 109.562)  ( 0.03,  0.02,  0.02)
179:     angle   ( 78.747,  50.708, -103.048)  ( 78.758,  50.719, -103.037)  ( 0.01,  0.02,  0.01)
179:     torsion ( -2.005,  47.425,  -9.989)  ( -2.004,  47.427,  -9.987)  ( 0.04,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-18.327,  35.843, -23.738)  (-18.326,  35.844, -23.737)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (-21.460,  28.710,  24.501)  (-21.427,  28.742,  24.531)  ( 0.16,  0.11,  0.13)
179:     bond    (149.796, -96.925, -10.303)  (149.815, -96.904, -10.285)  ( 0.01,  0.02,  0.18)
179:     angle   (-115.617,  81.993,  71.317)  (-115.605,  82.004,  71.327)  ( 0.01,  0.01,  0.01)
179:     torsion (-28.846,  17.622,   6.086)  (-28.845,  17.623,   6.089)  ( 0.00,  0.01,  0.04)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-26.793,  26.019, -42.600)  (-26.792,  26.020, -42.599)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (  4.159, -42.273, -21.119)  (  4.195, -42.234, -21.085)  ( 0.87,  0.09,  0.16)
179:     bond    (-129.458,  -4.452, 152.042)  (-129.438,  -4.431, 152.061)  ( 0.02,  0.47,  0.01)
179:     angle   (127.747, -66.671, -101.924)  (127.761, -66.657, -101.913)  ( 0.01,  0.02,  0.01)
179:     torsion ( 15.740, -13.912, -52.855)  ( 15.741, -13.910, -52.852)  ( 0.01,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -9.870,  42.763, -18.381)  ( -9.869,  42.764, -18.381)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( 54.252,   2.864,  38.220)  ( 54.289,   2.927,  38.404)  ( 0.07,  2.20,  0.48)
179:     bond    (116.744,   8.696, -58.261)  (116.765,   8.717, -58.240)  ( 0.02,  0.24,  0.04)
179:     angle   (-44.442, -21.743,  72.828)  (-44.426, -21.729,  72.841)  ( 0.04,  0.07,  0.02)
179:     torsion ( -9.082,  -1.376,  27.007)  ( -9.081,  -1.373,  27.010)  ( 0.01,  0.19,  0.01)
179:     oop     (  0.010,  -0.147,  -0.875)  (  0.007,  -0.123,  -0.729)  ( 0.00,  0.36, 12.86)
179:     vdw     ( -8.978,  17.434,  -2.478)  ( -8.977,  17.435,  -2.478)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -4.690,  -0.608, -12.611)  ( -4.661,  -0.578, -12.582)  ( 0.63,  1.82,  0.24)
179:     bond    ( 38.557, -66.637, -124.644)  ( 38.575, -66.619, -124.625)  ( 0.05,  0.03,  0.02)
179:     angle   (-16.684,  68.990,  73.148)  (-16.674,  69.000,  73.157)  ( 0.06,  0.01,  0.01)
179:     torsion (-18.479, -14.465,   0.974)  (-18.478, -14.463,   0.974)  ( 0.01,  0.01,  0.04)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.085,  11.503,  37.911)  ( -8.084,  11.504,  37.911)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (141.957,  62.584,  24.275)  (141.982,  62.594,  24.302)  ( 0.02,  0.02,  0.11)
179:     bond    (187.677,  96.952,   6.946)  (187.700,  96.958,   6.963)  ( 0.01,  0.01,  0.25)
179:     angle   (-29.664,   0.677,  50.012)  (-29.662,   0.680,  50.021)  ( 0.01,  0.21,  0.02)
179:     torsion ( -0.245, -22.328, -25.408)  ( -0.245, -22.328, -25.407)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-15.811, -12.717,  -7.275)  (-15.810, -12.717,  -7.275)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( 44.583,  -7.909, -27.026)  ( 44.587,  -7.903, -27.014)  ( 0.01,  0.08,  0.04)
179:     bond    (  3.150,  -7.872, -16.573)  (  3.150,  -7.869, -16.562)  ( 0.01,  0.03,  0.07)
179:     angle   ( -2.086,  -9.527,   4.128)  ( -2.083,  -9.524,   4.129)  ( 0.15,  0.03,  0.02)
179:     torsion ( 36.936,   6.164,   4.096)  ( 36.937,   6.164,   4.096)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.582,   3.325, -18.678)  (  6.583,   3.326, -18.677)  ( 0.01,  0.02,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (-15.966,  20.151,  24.480)  (-15.961,  20.156,  24.493)  ( 0.03,  0.03,  0.05)
179:     bond    ( -7.259,  10.575,  35.044)  ( -7.259,  10.576,  35.056)  ( 0.00,  0.01,  0.03)
179:     angle   ( -6.563,   7.386,  -3.588)  ( -6.559,   7.389,  -3.587)  ( 0.05,  0.04,  0.01)
179:     torsion (-23.887,  13.197,  -8.927)  (-23.886,  13.198,  -8.927)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 21.742, -11.007,   1.952)  ( 21.743, -11.006,   1.952)  ( 0.01,  0.01,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       ( 28.424,   7.133, -42.440)  ( 28.429,   7.138, -42.428)  ( 0.02,  0.08,  0.03)
179:     bond    (  3.220,  -5.723, -17.457)  (  3.220,  -5.722, -17.445)  ( 0.01,  0.02,  0.07)
179:     angle   ( -2.774,  10.732,  -4.033)  ( -2.771,  10.735,  -4.032)  ( 0.12,  0.03,  0.01)
179:     torsion ( 22.776,  30.753,  -5.883)  ( 22.777,  30.754,  -5.883)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.202, -28.629, -15.067)  (  5.203, -28.628, -15.067)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       ( 94.571,  22.195, -55.139)  ( 94.577,  22.200, -55.127)  ( 0.01,  0.02,  0.02)
179:     bond    (  6.823, -15.057, -30.941)  (  6.824, -15.054, -30.931)  ( 0.01,  0.02,  0.03)
179:     angle   ( 14.968,  11.099,  -2.101)  ( 14.971,  11.102,  -2.101)  ( 0.02,  0.03,  0.03)
179:     torsion ( 41.437,  24.281,  -2.676)  ( 41.437,  24.281,  -2.676)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 31.343,   1.871, -19.420)  ( 31.344,   1.872, -19.420)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (-25.643,   6.133, -28.436)  (-25.635,   6.137, -28.427)  ( 0.03,  0.06,  0.03)
179:     bond    (-20.780,   4.981, -23.834)  (-20.774,   4.982, -23.826)  ( 0.03,  0.00,  0.03)
179:     angle   ( 17.263,  -7.511, -16.624)  ( 17.264,  -7.508, -16.622)  ( 0.01,  0.04,  0.01)
179:     torsion (-14.457,   3.681,  13.374)  (-14.456,   3.681,  13.374)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -7.669,   4.981,  -1.353)  ( -7.669,   4.982,  -1.352)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       ( 21.404,   9.267,  51.371)  ( 21.409,   9.272,  51.382)  ( 0.03,  0.06,  0.02)
179:     bond    (-15.107,  13.559,  27.613)  (-15.105,  13.561,  27.622)  ( 0.02,  0.02,  0.03)
179:     angle   ( 27.787,  -5.154,  17.724)  ( 27.789,  -5.151,  17.725)  ( 0.01,  0.05,  0.01)
179:     torsion ( 30.926,  -5.029,  19.380)  ( 30.927,  -5.029,  19.381)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-22.202,   5.891, -13.347)  (-22.202,   5.891, -13.346)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       ( 16.406, -38.434, -25.285)  ( 16.411, -38.430, -25.273)  ( 0.03,  0.01,  0.05)
179:     bond    (  9.915,  -9.714, -27.660)  (  9.916,  -9.713, -27.649)  ( 0.01,  0.01,  0.04)
179:     angle   ( 12.153,  -6.961,   6.804)  ( 12.156,  -6.959,   6.804)  ( 0.02,  0.03,  0.01)
179:     torsion (  0.506, -26.055,   9.335)  (  0.506, -26.055,   9.335)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.167,   4.296, -13.763)  ( -6.166,   4.297, -13.763)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       ( -0.427,  41.149, -10.757)  ( -0.423,  41.163, -10.754)  ( 0.18,  0.03,  0.03)
179:     bond    ( -6.965,  35.011,  -3.353)  ( -6.964,  35.024,  -3.353)  ( 0.01,  0.04,  0.00)
179:     angle   ( 10.464,   3.532,  15.148)  ( 10.467,   3.532,  15.151)  ( 0.03,  0.01,  0.02)
179:     torsion (  7.604,   0.364, -11.995)  (  7.604,   0.364, -11.994)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-11.531,   2.243, -10.558)  (-11.530,   2.243, -10.558)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       ( -8.832,  62.541,  30.027)  ( -8.828,  62.544,  30.039)  ( 0.05,  0.00,  0.04)
179:     bond    (-10.934,   3.951,  30.250)  (-10.933,   3.951,  30.262)  ( 0.01,  0.00,  0.04)
179:     angle   ( -6.824,  19.150,  -4.966)  ( -6.821,  19.152,  -4.965)  ( 0.04,  0.01,  0.01)
179:     torsion ( -0.136,  45.168,  -5.947)  ( -0.136,  45.168,  -5.947)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  9.062,  -5.728,  10.689)  (  9.063,  -5.727,  10.689)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (  3.940, -39.525,  28.389)  (  3.944, -39.511,  28.392)  ( 0.12,  0.03,  0.01)
179:     bond    (  5.472, -27.716,  -2.162)  (  5.472, -27.702,  -2.162)  ( 0.01,  0.05,  0.00)
179:     angle   ( 28.211,   6.634, -13.586)  ( 28.215,   6.634, -13.584)  ( 0.01,  0.00,  0.02)
179:     torsion (-11.974,  -5.473,  39.824)  (-11.973,  -5.473,  39.824)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-17.770, -12.970,   4.314)  (-17.769, -12.970,   4.314)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       (-11.360,   9.849, -23.675)  (-11.361,   9.882, -23.568)  ( 0.01,  0.33,  0.45)
179:     bond    ( -1.097,  20.505,  -3.627)  ( -1.097,  20.519,  -3.627)  ( 0.01,  0.07,  0.01)
179:     angle   (-28.664,  -1.892,  -2.033)  (-28.661,  -1.892,  -2.033)  ( 0.01,  0.00,  0.00)
179:     torsion (  2.012,  -3.156, -18.466)  (  2.012,  -3.156, -18.462)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.044,  -0.132,  -0.759)  (  0.038,  -0.114,  -0.657)  ( 0.02,  0.23,  7.78)
179:     vdw     ( 16.346,  -5.476,   1.211)  ( 16.347,  -5.476,   1.211)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 40       ( 36.308,   6.034,  29.955)  ( 36.314,   6.038,  29.964)  ( 0.02,  0.07,  0.03)
179:     bond    ( 18.767, -10.397,  28.481)  ( 18.771, -10.396,  28.490)  ( 0.02,  0.01,  0.03)
179:     angle   ( -1.700,   6.406,   3.457)  ( -1.698,   6.409,   3.458)  ( 0.11,  0.05,  0.02)
179:     torsion ( 16.501,  18.716,  -4.044)  ( 16.502,  18.716,  -4.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.739,  -8.691,   2.060)  (  2.739,  -8.691,   2.060)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       ( -3.055, -21.255, -46.663)  ( -3.049, -21.250, -46.653)  ( 0.18,  0.02,  0.02)
179:     bond    ( 18.481, -11.472, -29.819)  ( 18.484, -11.471, -29.810)  ( 0.02,  0.01,  0.03)
179:     angle   (  2.922,  21.454,  -6.444)  (  2.924,  21.456,  -6.443)  ( 0.07,  0.01,  0.01)
179:     torsion (-22.485, -13.659,  -8.686)  (-22.484, -13.659,  -8.686)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.973, -17.577,  -1.714)  ( -1.973, -17.577,  -1.714)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       (-17.819,  36.412,  43.503)  (-17.816,  36.415,  43.517)  ( 0.02,  0.01,  0.03)
179:     bond    ( -7.195,  -1.910,  37.298)  ( -7.195,  -1.910,  37.312)  ( 0.00,  0.01,  0.04)
179:     angle   (-15.370,  18.468,  -2.018)  (-15.367,  18.471,  -2.018)  ( 0.02,  0.01,  0.00)
179:     torsion ( -1.188,  41.884,   1.915)  ( -1.188,  41.884,   1.915)  ( 0.03,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.934, -22.031,   6.308)  (  5.934, -22.030,   6.308)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       (  4.327, -52.811,   8.132)  (  4.332, -52.800,   8.135)  ( 0.11,  0.02,  0.03)
179:     bond    ( 15.124, -34.548, -10.635)  ( 15.126, -34.538, -10.634)  ( 0.01,  0.03,  0.01)
179:     angle   (  2.229,   8.850, -25.573)  (  2.232,   8.850, -25.570)  ( 0.11,  0.01,  0.01)
179:     torsion (-14.616, -17.750,  36.861)  (-14.616, -17.750,  36.861)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.589,  -9.362,   7.479)  (  1.590,  -9.362,   7.479)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       (-18.443,  12.453,  56.330)  (-18.440,  12.458,  56.341)  ( 0.02,  0.04,  0.02)
179:     bond    ( 14.507,  17.400,  38.285)  ( 14.508,  17.402,  38.296)  ( 0.01,  0.01,  0.03)
179:     angle   (-18.110,  22.092,  -3.181)  (-18.108,  22.095,  -3.180)  ( 0.01,  0.01,  0.02)
179:     torsion (-21.422, -19.062,  16.778)  (-21.422, -19.062,  16.778)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.582,  -7.977,   4.447)  (  6.582,  -7.977,   4.447)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       ( 50.114,  12.768, -16.909)  ( 50.124,  12.772, -16.904)  ( 0.02,  0.03,  0.03)
179:     bond    ( 28.379, -12.263, -17.863)  ( 28.388, -12.261, -17.859)  ( 0.03,  0.01,  0.02)
179:     angle   ( -7.540,  -4.218,  -9.092)  ( -7.539,  -4.216,  -9.090)  ( 0.01,  0.06,  0.02)
179:     torsion ( 15.446,  29.140,   4.546)  ( 15.446,  29.140,   4.545)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 13.829,   0.108,   5.500)  ( 13.830,   0.108,   5.500)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 46       ( 17.258, -74.872, -16.201)  ( 17.261, -74.865, -16.188)  ( 0.02,  0.01,  0.08)
179:     bond    (  2.525,  -6.603, -19.217)  (  2.525,  -6.602, -19.205)  ( 0.00,  0.02,  0.06)
179:     angle   ( -4.537,  11.154,  -4.432)  ( -4.534,  11.157,  -4.431)  ( 0.07,  0.03,  0.01)
179:     torsion (  6.819, -47.163,  17.109)  (  6.819, -47.162,  17.108)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 12.449, -32.261,  -9.660)  ( 12.450, -32.259,  -9.660)  ( 0.01,  0.01,  0.00)
188: ok 7819
188: ok 7820
188: ok 7821
188: ok 7822
188: ok 7823
188: ok 7824
188: ok 7825
188: ok 7826
188: ok 7827
188: ok 7828
188: ok 7829
188: ok 7830
188: ok 7831
188: ok 7832
188: ok 7833
188: ok 7834
188: ok 7835
188: ok 7836
188: ok 7837
188: ok 7838
188: ok 7839
188: ok 7840
188: ok 7841
188: ok 7842
188: ok 7843
188: ok 7844
188: ok 7845
188: ok 7846
188: ok 7847
188: ok 7848
188: ok 7849
188: ok 7850
188: ok 7851
188: ok 7852
188: ok 7853
188: ok 7854
188: ok 7855
188: ok 7856
188: ok 7857
188: ok 7858
188: ok 7859
188: ok 7860
188: ok 7861
188: ok 7862
188: ok 7863
188: ok 7864
188: ok 7865
188: ok 7866
188: ok 7867
188: ok 7868
188: ok 7869
188: ok 7870
188: ok 7871
188: ok 7872
188: ok 7873
188: ok 7874
188: ok 7875
188: ok 7876
188: ok 7877
188: ok 7878
188: ok 7879
188: ok 7880
188: ok 7881
188: ok 7882
188: ok 7883
188: ok 7884
188: ok 7885
188: ok 7886
188: ok 7887
188: ok 7888
188: ok 7889
188: ok 7890
188: ok 7891
188: ok 7892
188: ok 7893
188: ok 7894
188: ok 7895
188: ok 7896
188: ok 7897
188: ok 7898
188: ok 7899
188: ok 7900
188: ok 7901
188: ok 7902
188: ok 7903
188: ok 7904
188: ok 7905
188: ok 7906
188: ok 7907
188: ok 7908
188: ok 7909
188: ok 7910
188: ok 7911
188: ok 7912
188: ok 7913
188: ok 7914
188: ok 7915
188: ok 7916
188: ok 7917
188: ok 7918
188: ok 7919
188: ok 7920
188: ok 7921
188: ok 7922
188: ok 7923
188: ok 7924
188: ok 7925
188: ok 7926
188: ok 7927
188: ok 7928
188: ok 7929
188: ok 7930
188: ok 7931
188: ok 7932
188: ok 7933
188: ok 7934
188: ok 7935
188: ok 7936
188: ok 7937
188: ok 7938
188: ok 7939
188: ok 7940
188: ok 7941
188: ok 7942
188: ok 7943
188: ok 7944
188: ok 7945
188: ok 7946
188: ok 7947
188: ok 7948
188: ok 7949
188: ok 7950
188: ok 7951
188: ok 7952
188: ok 7953
188: ok 7954
188: ok 7955
188: ok 7956
188: ok 7957
188: ok 7958
188: ok 7959
188: ok 7960
188: ok 7961
188: ok 7962
188: ok 7963
188: ok 7964
188: ok 7965
188: ok 7966
188: ok 7967
188: ok 7968
188: ok 7969
188: ok 7970
188: ok 7971
188: ok 7972
188: ok 7973
188: ok 7974
188: ok 7975
188: ok 7976
188: ok 7977
188: ok 7978
188: ok 7979
188: ok 7980
188: ok 7981
188: ok 7982
188: ok 7983
188: ok 7984
188: ok 7985
188: ok 7986
188: ok 7987
188: ok 7988
188: ok 7989
188: ok 7990
188: ok 7991
188: ok 7992
188: ok 7993
188: ok 7994
188: ok 7995
188: ok 7996
188: ok 7997
188: ok 7998
188: ok 7999
188: ok 8000
188: ok 8001
188: ok 8002
188: ok 8003
188: ok 8004
188: ok 8005
188: ok 8006
188: ok 8007
188: ok 8008
188: ok 8009
188: ok 8010
188: ok 8011
188: ok 8012
188: ok 8013
188: ok 8014
188: ok 8015
188: ok 8016
188: ok 8017
188: ok 8018
188: ok 8019
188: ok 8020
188: ok 8021
188: ok 8022
188: ok 8023
188: ok 8024
188: ok 8025
188: ok 8026
188: ok 8027
188: ok 8028
188: ok 8029
188: ok 8030
188: ok 8031
188: ok 8032
188: ok 8033
188: ok 8034
188: ok 8035
188: ok 8036
188: ok 8037
188: ok 8038
188: ok 8039
188: ok 8040
188: ok 8041
188: ok 8042
188: ok 8043
188: ok 8044
188: ok 8045
188: ok 8046
188: ok 8047
188: ok 8048
188: ok 8049
188: ok 8050
188: ok 8051
188: ok 8052
188: ok 8053
188: ok 8054
188: ok 8055
188: ok 8056
188: ok 8057
188: ok 8058
188: ok 8059
188: ok 8060
188: ok 8061
188: ok 8062
188: ok 8063
188: ok 8064
188: ok 8065
188: ok 8066
188: ok 8067
188: ok 8068
188: ok 8069
188: ok 8070
188: ok 8071
188: ok 8072
188: ok 8073
188: ok 8074
188: ok 8075
188: ok 8076
188: ok 8077
188: ok 8078
188: ok 8079
188: ok 8080
188: ok 8081
188: ok 8082
188: ok 8083
188: ok 8084
188: ok 8085
188: ok 8086
188: ok 8087
188: ok 8088
188: ok 8089
188: ok 8090
188: ok 8091
188: ok 8092
188: ok 8093
188: ok 8094
188: ok 8095
188: ok 8096
188: ok 8097
188: ok 8098
188: ok 8099
188: ok 8100
188: ok 8101
188: ok 8102
188: ok 8103
188: ok 8104
188: ok 8105
188: ok 8106
188: ok 8107
188: ok 8108
188: ok 8109
188: ok 8110
188: ok 8111
188: ok 8112
188: ok 8113
188: ok 8114
188: ok 8115
188: ok 8116
188: ok 8117
188: ok 8118
188: ok 8119
188: ok 8120
188: ok 8121
188: ok 8122
188: ok 8123
188: ok 8124
188: ok 8125
188: ok 8126
188: ok 8127
188: ok 8128
188: ok 8129
188: ok 8130
188: ok 8131
188: ok 8132
188: ok 8133
188: ok 8134
188: ok 8135
188: ok 8136
188: ok 8137
188: ok 8138
188: ok 8139
188: ok 8140
188: ok 8141
188: ok 8142
188: ok 8143
188: ok 8144
188: ok 8145
188: ok 8146
188: ok 8147
188: ok 8148
188: ok 8149
188: ok 8150
188: ok 8151
188: ok 8152
188: ok 8153
188: ok 8154
188: ok 8155
188: ok 8156
188: ok 8157
188: ok 8158
188: ok 8159
188: ok 8160
188: ok 8161
188: ok 8162
188: ok 8163
188: ok 8164
188: ok 8165
188: ok 8166
188: ok 8167
188: ok 8168
188: ok 8169
188: ok 8170
188: ok 8171
188: ok 8172
188: ok 8173
188: ok 8174
188: ok 8175
188: ok 8176
188: ok 8177
188: ok 8178
188: ok 8179
188: ok 8180
188: ok 8181
188: ok 8182
188: ok 8183
188: ok 8184
188: ok 8185
188: ok 8186
188: ok 8187
188: ok 8188
188: ok 8189
188: ok 8190
188: ok 8191
188: ok 8192
188: ok 8193
188: ok 8194
188: ok 8195
188: ok 8196
188: ok 8197
188: ok 8198
188: ok 8199
188: ok 8200
188: ok 8201
188: ok 8202
188: ok 8203
188: ok 8204
188: ok 8205
188: ok 8206
188: ok 8207
188: ok 8208
188: ok 8209
188: ok 8210
188: ok 8211
188: ok 8212
188: ok 8213
188: ok 8214
188: ok 8215
188: ok 8216
188: ok 8217
188: ok 8218
188: ok 8219
188: ok 8220
188: ok 8221
188: ok 8222
188: ok 8223
188: ok 8224
188: ok 8225
188: ok 8226
188: ok 8227
188: ok 8228
188: ok 8229
188: ok 8230
188: ok 8231
188: ok 8232
188: ok 8233
188: ok 8234
188: ok 8235
188: ok 8236
188: ok 8237
188: ok 8238
188: ok 8239
188: ok 8240
188: ok 8241
188: ok 8242
188: ok 8243
188: ok 8244
188: ok 8245
188: ok 8246
188: ok 8247
188: ok 8248
188: ok 8249
188: ok 8250
188: ok 8251
188: ok 8252
188: ok 8253
188: ok 8254
188: ok 8255
188: ok 8256
188: ok 8257
188: ok 8258
188: ok 8259
188: ok 8260
188: ok 8261
188: ok 8262
188: ok 8263
188: ok 8264
188: ok 8265
188: ok 8266
188: ok 8267
188: ok 8268
188: ok 8269
188: ok 8270
188: ok 8271
188: ok 8272
188: ok 8273
188: ok 8274
188: ok 8275
188: ok 8276
188: ok 8277
188: ok 8278
188: ok 8279
188: ok 8280
188: ok 8281
188: ok 8282
188: ok 8283
188: ok 8284
188: ok 8285
188: ok 8286
188: ok 8287
188: ok 8288
188: ok 8289
188: ok 8290
188: ok 8291
188: ok 8292
188: ok 8293
188: ok 8294
188: ok 8295
188: ok 8296
188: ok 8297
188: ok 8298
188: ok 8299
188: ok 8300
188: ok 8301
188: ok 8302
188: ok 8303
188: ok 8304
188: ok 8305
188: ok 8306
188: ok 8307
188: ok 8308
188: ok 8309
188: ok 8310
188: ok 8311
188: ok 8312
188: ok 8313
188: ok 8314
188: ok 8315
188: ok 8316
188: ok 8317
188: ok 8318
188: ok 8319
188: ok 8320
188: ok 8321
188: ok 8322
188: ok 8323
188: ok 8324
188: ok 8325
188: ok 8326
188: ok 8327
188: ok 8328
188: ok 8329
188: ok 8330
188: ok 8331
188: ok 8332
188: ok 8333
188: ok 8334
188: ok 8335
188: ok 8336
188: ok 8337
188: ok 8338
188: ok 8339
188: ok 8340
188: ok 8341
188: ok 8342
188: ok 8343
188: ok 8344
188: ok 8345
188: ok 8346
188: ok 8347
188: ok 8348
188: ok 8349
188: ok 8350
188: ok 8351
188: ok 8352
188: ok 8353
188: ok 8354
188: ok 8355
188: ok 8356
188: ok 8357
188: ok 8358
188: ok 8359
188: ok 8360
188: ok 8361
188: ok 8362
188: ok 8363
188: ok 8364
188: ok 8365
188: ok 8366
188: ok 8367
188: ok 8368
188: ok 8369
188: ok 8370
188: ok 8371
188: ok 8372
188: ok 8373
188: ok 8374
188: ok 8375
188: ok 8376
188: ok 8377
188: ok 8378
188: ok 8379
188: ok 8380
188: ok 8381
188: ok 8382
188: ok 8383
188: ok 8384
188: ok 8385
188: ok 8386
188: ok 8387
188: ok 8388
188: ok 8389
188: ok 8390
188: ok 8391
188: ok 8392
188: ok 8393
188: ok 8394
188: ok 8395
188: ok 8396
188: ok 8397
188: ok 8398
188: ok 8399
188: ok 8400
188: ok 8401
188: ok 8402
188: ok 8403
188: ok 8404
188: ok 8405
188: ok 8406
188: ok 8407
188: ok 8408
188: ok 8409
188: ok 8410
188: ok 8411
188: ok 8412
188: ok 8413
188: ok 8414
188: ok 8415
188: ok 8416
188: ok 8417
188: ok 8418
188: ok 8419
188: ok 8420
188: ok 8421
188: ok 8422
188: ok 8423
188: ok 8424
188: ok 8425
188: ok 8426
188: ok 8427
188: ok 8428
188: ok 8429
188: ok 8430
188: ok 8431
188: ok 8432
188: ok 8433
188: ok 8434
188: ok 8435
188: ok 8436
188: ok 8437
188: ok 8438
188: ok 8439
188: ok 8440
188: ok 8441
188: ok 8442
188: ok 8443
188: ok 8444
188: ok 8445
188: ok 8446
188: ok 8447
188: ok 8448
188: ok 8449
188: ok 8450
188: ok 8451
188: ok 8452
188: ok 8453
188: ok 8454
188: ok 8455
188: ok 8456
188: ok 8457
188: ok 8458
188: ok 8459
188: ok 8460
188: ok 8461
188: ok 8462
188: ok 8463
188: ok 8464
188: ok 8465
188: ok 8466
188: ok 8467
188: ok 8468
188: ok 8469
188: ok 8470
188: ok 8471
188: ok 8472
188: ok 8473
188: ok 8474
188: ok 8475
188: ok 8476
188: ok 8477
188: ok 8478
188: ok 8479
188: ok 8480
188: ok 8481
188: ok 8482
188: ok 8483
188: ok 8484
188: ok 8485
188: ok 8486
188: ok 8487
188: ok 8488
188: ok 8489
188: ok 8490
188: ok 8491
188: ok 8492
188: ok 8493
188: ok 8494
188: ok 8495
188: ok 8496
188: ok 8497
188: ok 8498
188: ok 8499
188: ok 8500
188: ok 8501
188: ok 8502
188: ok 8503
188: ok 8504
188: ok 8505
188: ok 8506
188: ok 8507
188: ok 8508
188: ok 8509
188: ok 8510
188: ok 8511
188: ok 8512
188: ok 8513
188: ok 8514
188: ok 8515
188: ok 8516
188: ok 8517
188: ok 8518
188: ok 8519
188: ok 8520
188: ok 8521
188: ok 8522
188: ok 8523
188: ok 8524
188: ok 8525
188: ok 8526
188: ok 8527
188: ok 8528
188: ok 8529
188: ok 8530
188: ok 8531
188: ok 8532
188: ok 8533
188: ok 8534
188: ok 8535
188: ok 8536
188: ok 8537
188: ok 8538
188: ok 8539
188: ok 8540
188: ok 8541
188: ok 8542
188: ok 8543
188: ok 8544
188: ok 8545
188: ok 8546
188: ok 8547
188: ok 8548
188: ok 8549
188: ok 8550
188: ok 8551
188: ok 8552
188: ok 8553
188: ok 8554
188: ok 8555
188: ok 8556
188: ok 8557
188: ok 8558
188: ok 8559
188: ok 8560
188: ok 8561
188: ok 8562
188: ok 8563
188: ok 8564
188: ok 8565
188: ok 8566
188: ok 8567
188: ok 8568
188: ok 8569
188: ok 8570
188: ok 8571
188: ok 8572
188: ok 8573
188: ok 8574
188: ok 8575
188: ok 8576
188: ok 8577
188: ok 8578
188: ok 8579
188: ok 8580
188: ok 8581
188: ok 8582
188: ok 8583
188: ok 8584
188: ok 8585
188: ok 8586
188: ok 8587
188: ok 8588
188: ok 8589
188: ok 8590
188: ok 8591
188: ok 8592
188: ok 8593
188: ok 8594
188: ok 8595
188: ok 8596
188: ok 8597
188: ok 8598
188: ok 8599
188: ok 8600
188: ok 8601
188: ok 8602
188: ok 8603
188: ok 8604
188: ok 8605
188: ok 8606
188: ok 8607
188: ok 8608
188: ok 8609
188: ok 8610
188: ok 8611
188: ok 8612
188: ok 8613
188: ok 8614
188: ok 8615
188: ok 8616
188: ok 8617
188: ok 8618
188: ok 8619
188: ok 8620
188: ok 8621
188: ok 8622
188: ok 8623
188: ok 8624
188: ok 8625
188: ok 8626
188: ok 8627
188: ok 8628
188: ok 8629
188: ok 8630
188: ok 8631
188: ok 8632
188: ok 8633
188: ok 8634
188: ok 8635
188: ok 8636
188: ok 8637
188: ok 8638
188: ok 8639
188: ok 8640
188: ok 8641
188: ok 8642
188: ok 8643
188: ok 8644
188: ok 8645
188: ok 8646
188: ok 8647
188: ok 8648
188: ok 8649
188: ok 8650
188: ok 8651
188: ok 8652
188: ok 8653
188: ok 8654
188: ok 8655
188: ok 8656
188: ok 8657
188: ok 8658
188: ok 8659
188: ok 8660
188: ok 8661
188: ok 8662
188: ok 8663
188: ok 8664
188: ok 8665
188: ok 8666
188: ok 8667
188: ok 8668
188: ok 8669
188: ok 8670
188: ok 8671
188: ok 8672
188: ok 8673
188: ok 8674
188: ok 8675
188: ok 8676
188: ok 8677
188: ok 8678
188: ok 8679
188: ok 8680
188: ok 8681
188: ok 8682
188: ok 8683
188: ok 8684
188: ok 8685
188: ok 8686
188: ok 8687
188: ok 8688
188: ok 8689
188: ok 8690
188: ok 8691
188: ok 8692
188: ok 8693
188: ok 8694
188: ok 8695
188: ok 8696
188: ok 8697
188: ok 8698
188: ok 8699
188: ok 8700
188: ok 8701
188: ok 8702
188: ok 8703
188: ok 8704
188: ok 8705
188: ok 8706
188: ok 8707
188: ok 8708
188: ok 8709
188: ok 8710
188: ok 8711
188: ok 8712
188: ok 8713
188: ok 8714
188: ok 8715
188: ok 8716
188: ok 8717
188: ok 8718
188: ok 8719
188: ok 8720
188: ok 8721
188: ok 8722
188: ok 8723
188: ok 8724
188: ok 8725
188: ok 8726
188: ok 8727
188: ok 8728
188: ok 8729
188: ok 8730
188: ok 8731
188: ok 8732
188: ok 8733
188: ok 8734
188: ok 8735
188: ok 8736
188: ok 8737
188: ok 8738
188: ok 8739
188: ok 8740
188: ok 8741
188: ok 8742
188: ok 8743
188: ok 8744
188: ok 8745
188: ok 8746
188: ok 8747
188: ok 8748
188: ok 8749
188: ok 8750
188: ok 8751
188: ok 8752
188: ok 8753
188: ok 8754
188: ok 8755
188: ok 8756
188: ok 8757
188: ok 8758
188: ok 8759
188: ok 8760
188: ok 8761
188: ok 8762
188: ok 8763
188: ok 8764
188: ok 8765
188: ok 8766
188: ok 8767
188: ok 8768
188: ok 8769
188: ok 8770
188: ok 8771
188: ok 8772
188: ok 8773
188: ok 8774
188: ok 8775
188: ok 8776
188: ok 8777
188: ok 8778
188: ok 8779
188: ok 8780
188: ok 8781
188: ok 8782
188: ok 8783
188: ok 8784
188: ok 8785
188: ok 8786
188: ok 8787
188: ok 8788
188: ok 8789
188: ok 8790
188: ok 8791
188: ok 8792
188: ok 8793
188: ok 8794
188: ok 8795
188: ok 8796
188: ok 8797
188: ok 8798
188: ok 8799
188: ok 8800
188: ok 8801
188: ok 8802
188: ok 8803
188: ok 8804
188: ok 8805
188: ok 8806
188: ok 8807
188: ok 8808
188: ok 8809
188: ok 8810
188: ok 8811
188: ok 8812
188: ok 8813
188: ok 8814
188: ok 8815
188: ok 8816
188: ok 8817
188: ok 8818
188: ok 8819
188: ok 8820
188: ok 8821
188: ok 8822
188: ok 8823
188: ok 8824
188: ok 8825
188: ok 8826
188: ok 8827
188: ok 8828
188: ok 8829
188: ok 8830
188: ok 8831
188: ok 8832
188: ok 8833
188: ok 8834
188: ok 8835
188: ok 8836
188: ok 8837
188: ok 8838
188: ok 8839
188: ok 8840
188: ok 8841
188: ok 8842
188: ok 8843
188: ok 8844
188: ok 8845
188: ok 8846
188: ok 8847
188: ok 8848
188: ok 8849
188: ok 8850
188: ok 8851
188: ok 8852
188: ok 8853
188: ok 8854
188: ok 8855
188: ok 8856
188: ok 8857
188: ok 8858
188: ok 8859
188: ok 8860
188: ok 8861
188: ok 8862
188: ok 8863
188: ok 8864
188: ok 8865
188: ok 8866
188: ok 8867
188: ok 8868
188: ok 8869
188: ok 8870
188: ok 8871
188: ok 8872
188: ok 8873
188: ok 8874
188: ok 8875
188: ok 8876
188: ok 8877
188: ok 8878
188: ok 8879
188: ok 8880
188: ok 8881
188: ok 8882
188: ok 8883
188: ok 8884
188: ok 8885
188: ok 8886
188: ok 8887
188: ok 8888
188: ok 8889
188: ok 8890
188: ok 8891
188: ok 8892
188: ok 8893
188: ok 8894
188: ok 8895
188: ok 8896
188: ok 8897
188: ok 8898
188: ok 8899
188: ok 8900
188: ok 8901
188: ok 8902
188: ok 8903
188: ok 8904
188: ok 8905
188: ok 8906
188: ok 8907
188: ok 8908
188: ok 8909
188: ok 8910
188: ok 8911
188: ok 8912
188: ok 8913
188: ok 8914
188: ok 8915
188: ok 8916
188: ok 8917
188: ok 8918
188: ok 8919
188: ok 8920
188: ok 8921
188: ok 8922
188: ok 8923
188: ok 8924
188: ok 8925
188: ok 8926
188: ok 8927
188: ok 8928
188: ok 8929
188: ok 8930
188: ok 8931
188: ok 8932
188: ok 8933
188: ok 8934
188: ok 8935
188: ok 8936
188: ok 8937
188: ok 8938
188: ok 8939
188: ok 8940
188: ok 8941
188: ok 8942
188: ok 8943
188: ok 8944
188: ok 8945
188: ok 8946
188: ok 8947
188: ok 8948
188: ok 8949
188: ok 8950
188: ok 8951
188: ok 8952
188: ok 8953
188: ok 8954
188: ok 8955
188: ok 8956
188: ok 8957
188: ok 8958
188: ok 8959
188: ok 8960
188: ok 8961
188: ok 8962
188: ok 8963
188: ok 8964
188: ok 8965
188: ok 8966
188: ok 8967
188: ok 8968
188: ok 8969
188: ok 8970
188: ok 8971
188: ok 8972
188: ok 8973
188: ok 8974
188: ok 8975
188: ok 8976
188: ok 8977
188: ok 8978
188: ok 8979
188: ok 8980
188: ok 8981
188: ok 8982
188: ok 8983
188: ok 8984
188: ok 8985
188: ok 8986
188: ok 8987
188: ok 8988
188: ok 8989
188: ok 8990
188: ok 8991
188: ok 8992
188: ok 8993
188: ok 8994
188: ok 8995
188: ok 8996
188: ok 8997
188: ok 8998
188: ok 8999
188: ok 9000
188: ok 9001
188: ok 9002
188: ok 9003
188: ok 9004
188: ok 9005
188: ok 9006
188: ok 9007
188: ok 9008
188: ok 9009
188: ok 9010
188: ok 9011
188: ok 9012
188: ok 9013
188: ok 9014
188: ok 9015
188: ok 9016
188: ok 9017
188: ok 9018
188: ok 9019
188: ok 9020
188: ok 9021
188: ok 9022
188: ok 9023
188: ok 9024
188: ok 9025
188: ok 9026
188: ok 9027
188: ok 9028
188: ok 9029
188: ok 9030
188: ok 9031
188: ok 9032
188: ok 9033
188: ok 9034
188: ok 9035
188: ok 9036
188: ok 9037
188: ok 9038
188: ok 9039
188: ok 9040
188: ok 9041
188: ok 9042
188: ok 9043
188: ok 9044
188: ok 9045
188: ok 9046
188: ok 9047
188: ok 9048
188: ok 9049
188: ok 9050
188: ok 9051
188: ok 9052
188: ok 9053
188: ok 9054
188: ok 9055
188: ok 9056
188: ok 9057
188: ok 9058
188: ok 9059
188: ok 9060
188: ok 9061
188: ok 9062
188: ok 9063
188: ok 9064
188: ok 9065
188: ok 9066
188: ok 9067
188: ok 9068
188: ok 9069
188: ok 9070
188: ok 9071
188: ok 9072
188: ok 9073
188: ok 9074
188: ok 9075
188: ok 9076
188: ok 9077
188: ok 9078
188: ok 9079
188: ok 9080
188: ok 9081
188: ok 9082
188: ok 9083
188: ok 9084
188: ok 9085
188: ok 9086
188: ok 9087
188: ok 9088
188: ok 9089
188: ok 9090
188: ok 9091
188: ok 9092
188: ok 9093
188: ok 9094
188: ok 9095
188: ok 9096
188: ok 9097
188: ok 9098
188: ok 9099
188: ok 9100
188: ok 9101
188: ok 9102
188: ok 9103
188: ok 9104
188: ok 9105
188: ok 9106
188: ok 9107
188: ok 9108
188: ok 9109
188: ok 9110
188: ok 9111
188: ok 9112
188: ok 9113
188: ok 9114
188: ok 9115
188: ok 9116
188: ok 9117
188: ok 9118
188: ok 9119
188: ok 9120
188: ok 9121
188: ok 9122
188: ok 9123
188: ok 9124
188: ok 9125
188: ok 9126
188: ok 9127
188: ok 9128
188: ok 9129
188: ok 9130
188: ok 9131
188: ok 9132
188: ok 9133
188: ok 9134
188: ok 9135
188: ok 9136
188: ok 9137
188: ok 9138
188: ok 9139
188: ok 9140
188: ok 9141
188: ok 9142
188: ok 9143
188: ok 9144
188: ok 9145
188: ok 9146
188: ok 9147
188: ok 9148
188: ok 9149
188: ok 9150
188: ok 9151
188: ok 9152
188: ok 9153
188: ok 9154
188: ok 9155
188: ok 9156
188: ok 9157
188: ok 9158
188: ok 9159
188: ok 9160
188: ok 9161
188: ok 9162
188: ok 9163
188: ok 9164
188: ok 9165
188: ok 9166
188: ok 9167
188: ok 9168
188: ok 9169
188: ok 9170
188: ok 9171
188: ok 9172
188: ok 9173
188: ok 9174
188: ok 9175
188: ok 9176
188: ok 9177
188: ok 9178
188: ok 9179
188: ok 9180
188: ok 9181
188: ok 9182
188: ok 9183
188: ok 9184
188: ok 9185
188: ok 9186
188: ok 9187
188: ok 9188
188: ok 9189
188: ok 9190
188: ok 9191
188: ok 9192
188: ok 9193
188: ok 9194
188: ok 9195
188: ok 9196
188: ok 9197
188: ok 9198
188: ok 9199
188: ok 9200
188: ok 9201
188: ok 9202
188: ok 9203
188: ok 9204
188: ok 9205
188: ok 9206
188: ok 9207
188: ok 9208
188: ok 9209
188: ok 9210
188: ok 9211
188: ok 9212
188: ok 9213
188: ok 9214
188: ok 9215
188: ok 9216
188: ok 9217
188: ok 9218
188: ok 9219
188: ok 9220
188: ok 9221
188: ok 9222
188: ok 9223
188: ok 9224
188: ok 9225
188: ok 9226
188: ok 9227
188: ok 9228
188: ok 9229
188: ok 9230
188: ok 9231
188: ok 9232
188: ok 9233
188: ok 9234
188: ok 9235
188: ok 9236
188: ok 9237
188: ok 9238
188: ok 9239
188: ok 9240
188: ok 9241
188: ok 9242
188: ok 9243
188: ok 9244
188: ok 9245
188: ok 9246
188: ok 9247
188: ok 9248
188: ok 9249
188: ok 9250
188: ok 9251
188: ok 9252
188: ok 9253
188: ok 9254
188: ok 9255
188: ok 9256
188: ok 9257
188: ok 9258
188: ok 9259
188: ok 9260
188: ok 9261
188: ok 9262
188: ok 9263
188: ok 9264
188: ok 9265
188: ok 9266
188: ok 9267
188: ok 9268
188: ok 9269
188: ok 9270
188: ok 9271
188: ok 9272
188: ok 9273
188: ok 9274
188: ok 9275
188: ok 9276
188: ok 9277
188: ok 9278
188: ok 9279
188: ok 9280
188: ok 9281
188: ok 9282
188: ok 9283
188: ok 9284
188: ok 9285
188: ok 9286
188: ok 9287
188: ok 9288
188: ok 9289
188: ok 9290
188: ok 9291
188: ok 9292
188: ok 9293
188: ok 9294
188: ok 9295
188: ok 9296
188: ok 9297
188: ok 9298
188: ok 9299
188: ok 9300
188: ok 9301
188: ok 9302
188: ok 9303
188: ok 9304
188: ok 9305
188: ok 9306
188: ok 9307
188: ok 9308
188: ok 9309
188: ok 9310
188: ok 9311
188: ok 9312
188: ok 9313
188: ok 9314
188: ok 9315
188: ok 9316
188: ok 9317
188: ok 9318
188: ok 9319
188: ok 9320
188: ok 9321
188: ok 9322
188: ok 9323
188: ok 9324
188: ok 9325
188: ok 9326
188: ok 9327
188: ok 9328
188: ok 9329
188: ok 9330
188: ok 9331
188: ok 9332
188: ok 9333
188: ok 9334
188: ok 9335
188: ok 9336
188: ok 9337
188: ok 9338
188: ok 9339
188: ok 9340
188: ok 9341
188: ok 9342
188: ok 9343
188: ok 9344
188: ok 9345
188: ok 9346
188: ok 9347
188: ok 9348
188: ok 9349
188: ok 9350
188: ok 9351
188: ok 9352
188: ok 9353
188: ok 9354
188: ok 9355
188: ok 9356
188: ok 9357
188: ok 9358
188: ok 9359
188: ok 9360
188: ok 9361
188: ok 9362
188: ok 9363
188: ok 9364
188: ok 9365
188: ok 9366
188: ok 9367
188: ok 9368
188: ok 9369
188: ok 9370
188: ok 9371
188: ok 9372
188: ok 9373
188: ok 9374
188: ok 9375
188: ok 9376
188: ok 9377
188: ok 9378
188: ok 9379
188: ok 9380
188: ok 9381
188: ok 9382
188: ok 9383
188: ok 9384
188: ok 9385
188: ok 9386
188: ok 9387
188: ok 9388
188: ok 9389
188: ok 9390
188: ok 9391
188: ok 9392
188: ok 9393
188: ok 9394
188: ok 9395
188: ok 9396
188: ok 9397
188: ok 9398
188: ok 9399
188: ok 9400
188: ok 9401
188: ok 9402
188: ok 9403
188: ok 9404
188: ok 9405
188: ok 9406
188: ok 9407
188: ok 9408
188: ok 9409
188: ok 9410
188: ok 9411
188: ok 9412
188: ok 9413
188: ok 9414
188: ok 9415
188: ok 9416
188: ok 9417
188: ok 9418
188: ok 9419
188: ok 9420
188: ok 9421
188: ok 9422
188: ok 9423
188: ok 9424
188: ok 9425
188: ok 9426
188: ok 9427
188: ok 9428
188: ok 9429
188: ok 9430
188: ok 9431
188: ok 9432
188: ok 9433
188: ok 9434
188: ok 9435
188: ok 9436
188: ok 9437
188: ok 9438
188: ok 9439
188: ok 9440
188: ok 9441
188: ok 9442
188: ok 9443
188: ok 9444
188: ok 9445
188: ok 9446
188: ok 9447
188: ok 9448
188: ok 9449
188: ok 9450
188: ok 9451
188: ok 9452
188: ok 9453
188: ok 9454
188: ok 9455
188: ok 9456
188: ok 9457
188: ok 9458
188: ok 9459
188: ok 9460
188: ok 9461
188: ok 9462
188: ok 9463
188: ok 9464
188: ok 9465
188: ok 9466
188: ok 9467
188: ok 9468
188: ok 9469
188: ok 9470
188: ok 9471
188: ok 9472
188: ok 9473
188: ok 9474
188: ok 9475
188: ok 9476
188: ok 9477
188: ok 9478
188: ok 9479
188: ok 9480
188: ok 9481
188: ok 9482
188: ok 9483
188: ok 9484
188: ok 9485
188: ok 9486
188: ok 9487
188: ok 9488
188: ok 9489
188: ok 9490
188: ok 9491
188: ok 9492
188: ok 9493
188: ok 9494
188: ok 9495
188: ok 9496
188: ok 9497
188: ok 9498
188: ok 9499
188: ok 9500
188: ok 9501
188: ok 9502
188: ok 9503
188: ok 9504
188: ok 9505
188: ok 9506
188: ok 9507
188: ok 9508
188: ok 9509
188: ok 9510
188: ok 9511
188: ok 9512
188: ok 9513
188: ok 9514
188: ok 9515
188: ok 9516
188: ok 9517
188: ok 9518
188: ok 9519
188: ok 9520
188: ok 9521
188: ok 9522
188: ok 9523
188: ok 9524
188: ok 9525
188: ok 9526
188: ok 9527
188: ok 9528
188: ok 9529
188: ok 9530
188: ok 9531
188: ok 9532
188: ok 9533
188: ok 9534
188: ok 9535
188: ok 9536
188: ok 9537
188: ok 9538
188: ok 9539
188: ok 9540
188: ok 9541
188: ok 9542
188: ok 9543
188: ok 9544
188: ok 9545
188: ok 9546
188: ok 9547
188: ok 9548
188: ok 9549
188: ok 9550
188: ok 9551
188: ok 9552
188: ok 9553
188: ok 9554
188: ok 9555
188: ok 9556
188: ok 9557
188: ok 9558
188: ok 9559
188: ok 9560
188: ok 9561
188: ok 9562
188: ok 9563
188: ok 9564
188: ok 9565
188: ok 9566
188: ok 9567
188: ok 9568
188: ok 9569
188: ok 9570
188: ok 9571
188: ok 9572
188: ok 9573
188: ok 9574
188: ok 9575
188: ok 9576
188: ok 9577
188: ok 9578
188: ok 9579
188: ok 9580
188: ok 9581
188: ok 9582
188: ok 9583
188: ok 9584
188: ok 9585
188: ok 9586
188: ok 9587
188: ok 9588
188: ok 9589
188: ok 9590
188: ok 9591
188: ok 9592
188: ok 9593
188: ok 9594
188: ok 9595
188: ok 9596
188: ok 9597
188: ok 9598
188: ok 9599
188: ok 9600
188: ok 9601
188: ok 9602
188: ok 9603
188: ok 9604
188: ok 9605
188: ok 9606
188: ok 9607
188: ok 9608
188: ok 9609
188: ok 9610
188: ok 9611
188: ok 9612
188: ok 9613
188: ok 9614
188: ok 9615
188: ok 9616
188: ok 9617
188: ok 9618
188: ok 9619
188: ok 9620
188: ok 9621
188: ok 9622
188: ok 9623
188: ok 9624
188: ok 9625
188: ok 9626
188: ok 9627
188: ok 9628
188: ok 9629
188: ok 9630
188: ok 9631
188: ok 9632
188: ok 9633
188: ok 9634
188: ok 9635
188: ok 9636
188: ok 9637
188: ok 9638
188: ok 9639
188: ok 9640
188: ok 9641
188: ok 9642
188: ok 9643
188: ok 9644
188: ok 9645
188: ok 9646
188: ok 9647
188: ok 9648
188: ok 9649
188: ok 9650
188: ok 9651
188: ok 9652
188: ok 9653
188: ok 9654
188: ok 9655
188: ok 9656
188: ok 9657
188: ok 9658
188: ok 9659
188: ok 9660
188: ok 9661
188: ok 9662
188: ok 9663
188: ok 9664
188: ok 9665
188: ok 9666
188: ok 9667
188: ok 9668
188: ok 9669
188: ok 9670
188: ok 9671
188: ok 9672
188: ok 9673
188: ok 9674
188: ok 9675
188: ok 9676
188: ok 9677
188: ok 9678
188: ok 9679
188: ok 9680
188: ok 9681
188: ok 9682
188: ok 9683
188: ok 9684
188: ok 9685
188: ok 9686
188: ok 9687
188: ok 9688
188: ok 9689
188: ok 9690
188: ok 9691
188: ok 9692
188: ok 9693
188: ok 9694
188: ok 9695
188: ok 9696
188: ok 9697
188: ok 9698
188: ok 9699
188: ok 9700
188: ok 9701
188: ok 9702
188: ok 9703
188: ok 9704
188: ok 9705
188: ok 9706
188: ok 9707
188: ok 9708
188: ok 9709
188: ok 9710
188: ok 9711
188: ok 9712
188: ok 9713
188: ok 9714
188: ok 9715
188: ok 9716
188: ok 9717
188: ok 9718
188: ok 9719
188: ok 9720
188: ok 9721
188: ok 9722
188: ok 9723
188: ok 9724
188: ok 9725
188: ok 9726
188: ok 9727
188: ok 9728
188: ok 9729
188: ok 9730
188: ok 9731
188: ok 9732
188: ok 9733
188: ok 9734
188: ok 9735
188: ok 9736
188: ok 9737
188: ok 9738
188: ok 9739
188: ok 9740
188: ok 9741
188: ok 9742
188: ok 9743
188: ok 9744
188: ok 9745
188: ok 9746
188: ok 9747
188: ok 9748
188: ok 9749
188: ok 9750
188: ok 9751
188: ok 9752
188: ok 9753
188: ok 9754
188: ok 9755
188: ok 9756
188: ok 9757
188: ok 9758
188: ok 9759
188: ok 9760
188: ok 9761
188: ok 9762
188: ok 9763
188: ok 9764
188: ok 9765
188: ok 9766
188: ok 9767
188: ok 9768
188: ok 9769
188: ok 9770
188: ok 9771
188: ok 9772
188: ok 9773
188: ok 9774
188: ok 9775
188: ok 9776
188: ok 9777
188: ok 9778
188: ok 9779
188: ok 9780
188: ok 9781
188: ok 9782
188: ok 9783
188: ok 9784
188: ok 9785
188: ok 9786
188: ok 9787
188: ok 9788
188: ok 9789
188: ok 9790
188: ok 9791
188: ok 9792
188: ok 9793
188: ok 9794
188: ok 9795
188: ok 9796
188: ok 9797
188: ok 9798
188: ok 9799
188: ok 9800
188: ok 9801
188: ok 9802
188: ok 9803
188: ok 9804
188: ok 9805
188: ok 9806
188: ok 9807
188: ok 9808
188: ok 9809
188: ok 9810
188: ok 9811
188: ok 9812
188: ok 9813
188: ok 9814
188: ok 9815
188: ok 9816
188: ok 9817
188: ok 9818
188: ok 9819
188: ok 9820
188: ok 9821
188: ok 9822
188: ok 9823
188: ok 9824
188: ok 9825
188: ok 9826
188: ok 9827
188: ok 9828
188: ok 9829
188: ok 9830
188: ok 9831
188: ok 9832
188: ok 9833
188: ok 9834
188: ok 9835
188: ok 9836
188: ok 9837
188: ok 9838
188: ok 9839
188: ok 9840
188: ok 9841
188: ok 9842
188: ok 9843
188: ok 9844
188: ok 9845
188: ok 9846
188: ok 9847
188: ok 9848
188: ok 9849
188: ok 9850
188: ok 9851
188: ok 9852
188: ok 9853
188: ok 9854
188: ok 9855
188: ok 9856
188: ok 9857
188: ok 9858
188: ok 9859
188: ok 9860
188: ok 9861
188: ok 9862
188: ok 9863
188: ok 9864
188: ok 9865
188: ok 9866
188: ok 9867
188: ok 9868
188: ok 9869
188: ok 9870
188: ok 9871
188: ok 9872
188: ok 9873
188: ok 9874
188: ok 9875
188: ok 9876
188: ok 9877
188: ok 9878
188: ok 9879
188: ok 9880
188: ok 9881
188: ok 9882
188: ok 9883
188: ok 9884
188: ok 9885
188: ok 9886
188: ok 9887
188: ok 9888
188: ok 9889
188: ok 9890
188: ok 9891
188: ok 9892
188: ok 9893
188: ok 9894
188: ok 9895
188: ok 9896
188: ok 9897
188: ok 9898
188: ok 9899
188: ok 9900
188: ok 9901
188: ok 9902
188: ok 9903
188: ok 9904
188: ok 9905
188: ok 9906
188: ok 9907
188: ok 9908
188: ok 9909
188: ok 9910
188: ok 9911
188: ok 9912
188: ok 9913
188: ok 9914
188: ok 9915
188: ok 9916
188: ok 9917
188: ok 9918
188: ok 9919
188: ok 9920
188: ok 9921
188: ok 9922
188: ok 9923
188: ok 9924
188: ok 9925
188: ok 9926
188: ok 9927
188: ok 9928
188: ok 9929
188: ok 9930
188: ok 9931
188: ok 9932
188: ok 9933
188: ok 9934
188: ok 9935
188: ok 9936
188: ok 9937
188: ok 9938
188: ok 9939
188: ok 9940
188: ok 9941
188: ok 9942
188: ok 9943
188: ok 9944
188: ok 9945
188: ok 9946
188: ok 9947
188: ok 9948
188: ok 9949
188: ok 9950
188: ok 9951
188: ok 9952
188: ok 9953
188: ok 9954
188: ok 9955
188: ok 9956
188: ok 9957
188: ok 9958
188: ok 9959
188: ok 9960
188: ok 9961
188: ok 9962
188: ok 9963
188: ok 9964
188: ok 9965
188: ok 9966
188: ok 9967
188: ok 9968
188: ok 9969
188: ok 9970
188: ok 9971
188: ok 9972
188: ok 9973
188: ok 9974
188: ok 9975
188: ok 9976
188: ok 9977
188: ok 9978
188: ok 9979
188: ok 9980
188: ok 9981
188: ok 9982
188: ok 9983
188: ok 9984
188: ok 9985
188: ok 9986
188: ok 9987
188: ok 9988
188: ok 9989
188: ok 9990
188: ok 9991
188: ok 9992
188: ok 9993
188: ok 9994
188: ok 9995
188: ok 9996
188: ok 9997
188: ok 9998
188: ok 9999
188: ok 10000
188: ok 10001
188: ok 10002
188: ok 10003
188: ok 10004
188: ok 10005
188: ok 10006
188: ok 10007
188: ok 10008
188: ok 10009
188: ok 10010
188: ok 10011
188: ok 10012
188: ok 10013
188: ok 10014
188: ok 10015
188: ok 10016
188: ok 10017
188: ok 10018
188: ok 10019
188: ok 10020
188: ok 10021
188: ok 10022
188: ok 10023
188: ok 10024
188: ok 10025
188: ok 10026
188: ok 10027
188: ok 10028
188: ok 10029
188: ok 10030
188: ok 10031
188: ok 10032
188: ok 10033
188: ok 10034
188: ok 10035
188: ok 10036
188: ok 10037
188: ok 10038
188: ok 10039
188: ok 10040
188: ok 10041
188: ok 10042
188: ok 10043
188: ok 10044
188: ok 10045
188: ok 10046
188: ok 10047
188: ok 10048
188: ok 10049
188: ok 10050
188: ok 10051
188: ok 10052
188: ok 10053
188: ok 10054
188: ok 10055
188: ok 10056
188: ok 10057
188: ok 10058
188: ok 10059
188: ok 10060
188: ok 10061
188: ok 10062
188: ok 10063
188: ok 10064
188: ok 10065
188: ok 10066
188: ok 10067
188: ok 10068
188: ok 10069
188: ok 10070
188: ok 10071
188: ok 10072
188: ok 10073
188: ok 10074
188: ok 10075
188: ok 10076
188: ok 10077
188: ok 10078
188: ok 10079
188: ok 10080
188: ok 10081
188: ok 10082
188: ok 10083
188: ok 10084
188: ok 10085
188: ok 10086
188: ok 10087
188: ok 10088
188: ok 10089
188: ok 10090
188: ok 10091
188: ok 10092
188: ok 10093
188: ok 10094
188: ok 10095
188: ok 10096
188: ok 10097
188: ok 10098
188: ok 10099
188: ok 10100
188: ok 10101
188: ok 10102
188: ok 10103
188: ok 10104
188: ok 10105
188: ok 10106
188: ok 10107
188: ok 10108
188: ok 10109
188: ok 10110
188: ok 10111
188: ok 10112
188: ok 10113
188: ok 10114
188: ok 10115
188: ok 10116
188: ok 10117
188: ok 10118
188: ok 10119
188: ok 10120
188: ok 10121
188: ok 10122
188: ok 10123
188: ok 10124
188: ok 10125
188: ok 10126
188: ok 10127
188: ok 10128
188: ok 10129
188: ok 10130
188: ok 10131
188: ok 10132
188: ok 10133
188: ok 10134
188: ok 10135
188: ok 10136
188: ok 10137
188: ok 10138
188: ok 10139
188: ok 10140
188: ok 10141
188: ok 10142
188: ok 10143
188: ok 10144
188: ok 10145
188: ok 10146
188: ok 10147
188: ok 10148
188: ok 10149
188: ok 10150
188: ok 10151
188: ok 10152
188: ok 10153
188: ok 10154
188: ok 10155
188: ok 10156
188: ok 10157
188: ok 10158
188: ok 10159
188: ok 10160
188: ok 10161
188: ok 10162
188: ok 10163
188: ok 10164
188: ok 10165
188: ok 10166
188: ok 10167
188: ok 10168
188: ok 10169
188: ok 10170
188: ok 10171
188: ok 10172
188: ok 10173
188: ok 10174
188: ok 10175
188: ok 10176
188: ok 10177
188: ok 10178
188: ok 10179
188: ok 10180
188: ok 10181
188: ok 10182
188: ok 10183
188: ok 10184
188: ok 10185
188: ok 10186
188: ok 10187
188: ok 10188
188: ok 10189
188: ok 10190
188: ok 10191
188: ok 10192
188: ok 10193
188: ok 10194
188: ok 10195
188: ok 10196
188: ok 10197
188: ok 10198
188: ok 10199
188: ok 10200
188: ok 10201
188: ok 10202
188: ok 10203
188: ok 10204
188: ok 10205
188: ok 10206
188: ok 10207
188: ok 10208
188: ok 10209
188: ok 10210
188: ok 10211
188: ok 10212
188: ok 10213
188: ok 10214
188: ok 10215
188: ok 10216
188: ok 10217
188: ok 10218
188: ok 10219
188: ok 10220
188: ok 10221
188: ok 10222
188: ok 10223
188: ok 10224
188: ok 10225
188: ok 10226
188: ok 10227
188: ok 10228
188: ok 10229
188: ok 10230
188: ok 10231
188: ok 10232
188: ok 10233
188: ok 10234
188: ok 10235
188: ok 10236
188: ok 10237
188: ok 10238
188: ok 10239
188: ok 10240
188: ok 10241
188: ok 10242
188: ok 10243
188: ok 10244
188: ok 10245
188: ok 10246
188: ok 10247
188: ok 10248
188: ok 10249
188: ok 10250
188: ok 10251
188: ok 10252
188: ok 10253
188: ok 10254
188: ok 10255
188: ok 10256
188: ok 10257
188: ok 10258
188: ok 10259
188: ok 10260
188: ok 10261
188: ok 10262
188: ok 10263
188: ok 10264
188: ok 10265
188: ok 10266
188: ok 10267
188: ok 10268
188: ok 10269
188: ok 10270
188: ok 10271
188: ok 10272
188: ok 10273
188: ok 10274
188: ok 10275
188: ok 10276
188: ok 10277
188: ok 10278
188: ok 10279
188: ok 10280
188: ok 10281
188: ok 10282
188: ok 10283
188: ok 10284
188: ok 10285
188: ok 10286
188: ok 10287
188: ok 10288
188: ok 10289
188: ok 10290
188: ok 10291
188: ok 10292
188: ok 10293
188: ok 10294
188: ok 10295
188: ok 10296
188: ok 10297
188: ok 10298
188: ok 10299
188: ok 10300
188: ok 10301
188: ok 10302
188: ok 10303
188: ok 10304
188: ok 10305
188: ok 10306
188: ok 10307
188: ok 10308
188: ok 10309
188: ok 10310
188: ok 10311
188: ok 10312
188: ok 10313
188: ok 10314
188: ok 10315
188: ok 10316
188: ok 10317
188: ok 10318
188: ok 10319
188: ok 10320
188: ok 10321
188: ok 10322
188: ok 10323
188: ok 10324
188: ok 10325
188: ok 10326
188: ok 10327
188: ok 10328
188: ok 10329
188: ok 10330
188: ok 10331
188: ok 10332
188: ok 10333
188: ok 10334
188: ok 10335
188: ok 10336
188: ok 10337
188: ok 10338
188: ok 10339
188: ok 10340
188: ok 10341
188: ok 10342
188: ok 10343
188: ok 10344
188: ok 10345
188: ok 10346
188: ok 10347
188: ok 10348
188: ok 10349
188: ok 10350
188: ok 10351
188: ok 10352
188: ok 10353
188: ok 10354
188: ok 10355
188: ok 10356
188: ok 10357
188: ok 10358
188: ok 10359
188: ok 10360
188: ok 10361
188: ok 10362
188: ok 10363
188: ok 10364
188: ok 10365
188: ok 10366
188: ok 10367
188: ok 10368
188: ok 10369
188: ok 10370
188: ok 10371
188: ok 10372
188: ok 10373
188: ok 10374
188: ok 10375
188: ok 10376
188: ok 10377
188: ok 10378
188: ok 10379
188: ok 10380
188: ok 10381
188: ok 10382
188: ok 10383
188: ok 10384
188: ok 10385
188: ok 10386
188: ok 10387
188: ok 10388
188: ok 10389
188: ok 10390
188: ok 10391
188: ok 10392
188: ok 10393
188: ok 10394
188: ok 10395
188: ok 10396
188: ok 10397
188: ok 10398
188: ok 10399
188: ok 10400
188: ok 10401
188: ok 10402
188: ok 10403
188: ok 10404
188: ok 10405
188: ok 10406
188: ok 10407
188: ok 10408
188: ok 10409
188: ok 10410
188: ok 10411
188: ok 10412
188: ok 10413
188: ok 10414
188: ok 10415
188: ok 10416
188: ok 10417
188: ok 10418
188: ok 10419
188: ok 10420
188: ok 10421
188: ok 10422
188: ok 10423
188: ok 10424
188: ok 10425
188: ok 10426
188: ok 10427
188: ok 10428
188: ok 10429
188: ok 10430
188: ok 10431
188: ok 10432
188: ok 10433
188: ok 10434
188: ok 10435
188: ok 10436
188: ok 10437
188: ok 10438
188: ok 10439
188: ok 10440
188: ok 10441
188: ok 10442
188: ok 10443
188: ok 10444
188: ok 10445
188: ok 10446
188: ok 10447
188: ok 10448
188: ok 10449
188: ok 10450
188: ok 10451
188: ok 10452
188: ok 10453
188: ok 10454
188: ok 10455
188: ok 10456
188: ok 10457
188: ok 10458
188: ok 10459
188: ok 10460
188: ok 10461
188: ok 10462
188: ok 10463
188: ok 10464
188: ok 10465
188: ok 10466
188: ok 10467
188: ok 10468
188: ok 10469
188: ok 10470
188: ok 10471
188: ok 10472
188: ok 10473
188: ok 10474
188: ok 10475
188: ok 10476
188: ok 10477
188: ok 10478
188: ok 10479
188: ok 10480
188: ok 10481
188: ok 10482
188: ok 10483
188: ok 10484
188: ok 10485
188: ok 10486
188: ok 10487
188: ok 10488
188: ok 10489
188: ok 10490
188: ok 10491
188: ok 10492
188: ok 10493
188: ok 10494
188: ok 10495
188: ok 10496
188: ok 10497
188: ok 10498
188: ok 10499
188: ok 10500
188: ok 10501
188: ok 10502
188: ok 10503
188: ok 10504
188: ok 10505
188: ok 10506
188: ok 10507
188: ok 10508
188: ok 10509
188: ok 10510
188: ok 10511
188: ok 10512
188: ok 10513
188: ok 10514
188: ok 10515
188: ok 10516
188: ok 10517
188: ok 10518
188: ok 10519
188: ok 10520
188: ok 10521
188: ok 10522
188: ok 10523
188: ok 10524
188: ok 10525
188: ok 10526
188: ok 10527
188: ok 10528
188: ok 10529
188: ok 10530
188: ok 10531
188: ok 10532
188: ok 10533
188: ok 10534
188: ok 10535
188: ok 10536
188: ok 10537
188: ok 10538
188: ok 10539
188: ok 10540
188: ok 10541
188: ok 10542
188: ok 10543
188: ok 10544
188: ok 10545
188: ok 10546
188: ok 10547
188: ok 10548
188: ok 10549
188: ok 10550
188: ok 10551
188: ok 10552
188: ok 10553
188: ok 10554
188: ok 10555
188: ok 10556
188: ok 10557
188: ok 10558
188: ok 10559
188: ok 10560
188: ok 10561
188: ok 10562
188: ok 10563
188: ok 10564
188: ok 10565
188: ok 10566
188: ok 10567
188: ok 10568
188: ok 10569
188: ok 10570
188: ok 10571
188: ok 10572
188: ok 10573
188: ok 10574
188: ok 10575
188: ok 10576
188: ok 10577
188: ok 10578
188: ok 10579
188: ok 10580
188: ok 10581
188: ok 10582
188: ok 10583
188: ok 10584
188: ok 10585
188: ok 10586
188: ok 10587
188: ok 10588
188: ok 10589
188: ok 10590
188: ok 10591
188: ok 10592
188: ok 10593
188: ok 10594
188: ok 10595
188: ok 10596
188: ok 10597
188: ok 10598
188: ok 10599
188: ok 10600
188: ok 10601
188: ok 10602
188: ok 10603
188: ok 10604
188: ok 10605
188: ok 10606
188: ok 10607
188: ok 10608
188: ok 10609
188: ok 10610
188: ok 10611
188: ok 10612
188: ok 10613
188: ok 10614
188: ok 10615
188: ok 10616
188: ok 10617
188: ok 10618
188: ok 10619
188: ok 10620
188: ok 10621
188: ok 10622
188: ok 10623
188: ok 10624
188: ok 10625
188: ok 10626
188: ok 10627
188: ok 10628
188: ok 10629
188: ok 10630
188: ok 10631
188: ok 10632
188: ok 10633
188: ok 10634
188: ok 10635
188: ok 10636
188: ok 10637
188: ok 10638
188: ok 10639
188: ok 10640
188: ok 10641
188: ok 10642
188: ok 10643
188: ok 10644
188: ok 10645
188: ok 10646
188: ok 10647
188: ok 10648
188: ok 10649
188: ok 10650
188: ok 10651
188: ok 10652
188: ok 10653
188: ok 10654
188: ok 10655
188: ok 10656
188: ok 10657
188: ok 10658
188: ok 10659
188: ok 10660
188: ok 10661
188: ok 10662
188: ok 10663
188: ok 10664
188: ok 10665
188: ok 10666
188: ok 10667
188: ok 10668
188: ok 10669
188: ok 10670
188: ok 10671
188: ok 10672
188: ok 10673
188: ok 10674
188: ok 10675
188: ok 10676
188: ok 10677
188: ok 10678
188: ok 10679
188: ok 10680
188: ok 10681
188: ok 10682
188: ok 10683
188: ok 10684
188: ok 10685
188: ok 10686
188: ok 10687
188: ok 10688
188: ok 10689
188: ok 10690
188: ok 10691
188: ok 10692
188: ok 10693
188: ok 10694
188: ok 10695
188: ok 10696
188: ok 10697
188: ok 10698
188: ok 10699
188: ok 10700
188: ok 10701
188: ok 10702
188: ok 10703
188: ok 10704
188: ok 10705
188: ok 10706
188: ok 10707
188: ok 10708
188: ok 10709
188: ok 10710
188: ok 10711
188: ok 10712
188: ok 10713
188: ok 10714
188: ok 10715
188: ok 10716
188: ok 10717
188: ok 10718
188: ok 10719
188: ok 10720
188: ok 10721
188: ok 10722
188: ok 10723
188: ok 10724
188: ok 10725
188: ok 10726
188: ok 10727
188: ok 10728
188: ok 10729
188: ok 10730
188: ok 10731
188: ok 10732
188: ok 10733
188: ok 10734
188: ok 10735
188: ok 10736
188: ok 10737
188: ok 10738
188: ok 10739
188: ok 10740
188: ok 10741
188: ok 10742
188: ok 10743
188: ok 10744
188: ok 10745
188: ok 10746
188: ok 10747
188: ok 10748
188: ok 10749
188: ok 10750
188: ok 10751
188: ok 10752
188: ok 10753
188: ok 10754
188: ok 10755
188: ok 10756
188: ok 10757
188: ok 10758
188: ok 10759
188: ok 10760
188: ok 10761
188: ok 10762
188: ok 10763
188: ok 10764
188: ok 10765
188: ok 10766
188: ok 10767
188: ok 10768
188: ok 10769
188: ok 10770
188: ok 10771
188: ok 10772
188: ok 10773
188: ok 10774
188: ok 10775
188: ok 10776
188: ok 10777
188: ok 10778
188: ok 10779
188: ok 10780
188: ok 10781
188: ok 10782
188: ok 10783
188: ok 10784
188: ok 10785
188: ok 10786
188: ok 10787
188: ok 10788
188: ok 10789
188: ok 10790
188: ok 10791
188: ok 10792
188: ok 10793
188: ok 10794
188: ok 10795
188: ok 10796
188: ok 10797
188: ok 10798
188: ok 10799
188: ok 10800
188: ok 10801
188: ok 10802
188: ok 10803
188: ok 10804
188: ok 10805
188: ok 10806
188: ok 10807
188: ok 10808
188: ok 10809
188: ok 10810
188: ok 10811
188: ok 10812
188: ok 10813
188: ok 10814
188: ok 10815
188: ok 10816
188: ok 10817
188: ok 10818
188: ok 10819
188: ok 10820
188: ok 10821
188: ok 10822
188: ok 10823
188: ok 10824
188: ok 10825
188: ok 10826
188: ok 10827
188: ok 10828
188: ok 10829
188: ok 10830
188: ok 10831
188: ok 10832
188: ok 10833
188: ok 10834
188: ok 10835
188: ok 10836
188: ok 10837
188: ok 10838
188: ok 10839
188: ok 10840
188: ok 10841
188: ok 10842
188: ok 10843
188: ok 10844
188: ok 10845
188: ok 10846
188: ok 10847
188: ok 10848
188: ok 10849
188: ok 10850
188: ok 10851
188: ok 10852
188: ok 10853
188: ok 10854
188: ok 10855
188: ok 10856
188: ok 10857
188: ok 10858
188: ok 10859
188: ok 10860
188: ok 10861
188: ok 10862
188: ok 10863
188: ok 10864
188: ok 10865
188: ok 10866
188: ok 10867
188: ok 10868
188: ok 10869
188: ok 10870
188: ok 10871
188: ok 10872
188: ok 10873
188: ok 10874
188: ok 10875
188: ok 10876
188: ok 10877
188: ok 10878
188: ok 10879
188: ok 10880
188: ok 10881
188: ok 10882
188: ok 10883
188: ok 10884
188: ok 10885
188: ok 10886
188: ok 10887
188: ok 10888
188: ok 10889
188: ok 10890
188: ok 10891
188: ok 10892
188: ok 10893
188: ok 10894
188: ok 10895
188: ok 10896
188: ok 10897
188: ok 10898
188: ok 10899
188: ok 10900
188: ok 10901
188: ok 10902
188: ok 10903
188: ok 10904
188: ok 10905
188: ok 10906
188: ok 10907
188: ok 10908
188: ok 10909
188: ok 10910
188: ok 10911
188: ok 10912
188: ok 10913
188: ok 10914
188: ok 10915
188: ok 10916
188: ok 10917
188: ok 10918
188: ok 10919
188: ok 10920
188: ok 10921
188: ok 10922
188: ok 10923
188: ok 10924
188: ok 10925
188: ok 10926
188: ok 10927
188: ok 10928
188: ok 10929
188: ok 10930
188: ok 10931
188: ok 10932
188: ok 10933
188: ok 10934
188: ok 10935
188: ok 10936
188: ok 10937
188: ok 10938
188: ok 10939
188: ok 10940
188: ok 10941
188: ok 10942
188: ok 10943
188: ok 10944
188: ok 10945
188: ok 10946
188: ok 10947
188: ok 10948
188: ok 10949
188: ok 10950
188: ok 10951
188: ok 10952
188: ok 10953
188: ok 10954
188: ok 10955
188: ok 10956
188: ok 10957
188: ok 10958
188: ok 10959
188: ok 10960
188: ok 10961
188: ok 10962
188: ok 10963
188: ok 10964
188: ok 10965
188: ok 10966
188: ok 10967
188: ok 10968
188: ok 10969
188: ok 10970
188: ok 10971
188: ok 10972
188: ok 10973
188: ok 10974
188: ok 10975
188: ok 10976
188: ok 10977
188: ok 10978
188: ok 10979
188: ok 10980
188: ok 10981
188: ok 10982
188: ok 10983
188: ok 10984
188: ok 10985
188: ok 10986
188: ok 10987
188: ok 10988
188: ok 10989
188: ok 10990
188: ok 10991
188: ok 10992
188: ok 10993
188: ok 10994
188: ok 10995
188: ok 10996
188: ok 10997
188: ok 10998
188: ok 10999
188: ok 11000
188: ok 11001
188: ok 11002
188: ok 11003
188: ok 11004
188: ok 11005
188: ok 11006
188: ok 11007
188: ok 11008
188: ok 11009
188: ok 11010
188: ok 11011
188: ok 11012
188: ok 11013
188: ok 11014
188: ok 11015
188: ok 11016
188: ok 11017
188: ok 11018
188: ok 11019
188: ok 11020
188: ok 11021
188: ok 11022
188: ok 11023
188: ok 11024
188: ok 11025
188: ok 11026
188: ok 11027
188: ok 11028
188: ok 11029
188: ok 11030
188: ok 11031
188: ok 11032
188: ok 11033
188: ok 11034
188: ok 11035
188: ok 11036
188: ok 11037
188: ok 11038
188: ok 11039
188: ok 11040
188: ok 11041
188: ok 11042
188: ok 11043
188: ok 11044
188: ok 11045
188: ok 11046
188: ok 11047
188: ok 11048
188: ok 11049
188: ok 11050
188: ok 11051
188: ok 11052
188: ok 11053
188: ok 11054
188: ok 11055
188: ok 11056
188: ok 11057
188: ok 11058
188: ok 11059
188: ok 11060
188: ok 11061
188: ok 11062
188: ok 11063
188: ok 11064
188: ok 11065
188: ok 11066
188: ok 11067
188: ok 11068
188: ok 11069
188: ok 11070
188: ok 11071
188: ok 11072
188: ok 11073
188: ok 11074
188: ok 11075
188: ok 11076
188: ok 11077
188: ok 11078
188: ok 11079
188: ok 11080
188: ok 11081
188: ok 11082
188: ok 11083
188: ok 11084
188: ok 11085
188: ok 11086
188: ok 11087
188: ok 11088
188: ok 11089
188: ok 11090
188: ok 11091
188: ok 11092
188: ok 11093
188: ok 11094
188: ok 11095
188: ok 11096
188: ok 11097
188: ok 11098
188: ok 11099
188: ok 11100
188: ok 11101
188: ok 11102
188: ok 11103
188: ok 11104
188: ok 11105
188: ok 11106
188: ok 11107
188: ok 11108
188: ok 11109
188: ok 11110
188: ok 11111
188: ok 11112
188: ok 11113
188: ok 11114
188: ok 11115
188: ok 11116
188: ok 11117
188: ok 11118
188: ok 11119
188: ok 11120
188: ok 11121
188: ok 11122
188: ok 11123
188: ok 11124
188: ok 11125
188: ok 11126
188: ok 11127
188: ok 11128
188: ok 11129
188: ok 11130
188: ok 11131
188: ok 11132
188: ok 11133
188: ok 11134
188: ok 11135
188: ok 11136
188: ok 11137
188: ok 11138
188: ok 11139
188: ok 11140
188: ok 11141
188: ok 11142
188: ok 11143
188: ok 11144
188: ok 11145
188: ok 11146
188: ok 11147
188: ok 11148
188: ok 11149
188: ok 11150
188: ok 11151
188: ok 11152
188: ok 11153
188: ok 11154
188: ok 11155
188: ok 11156
188: ok 11157
188: ok 11158
188: ok 11159
188: ok 11160
188: ok 11161
188: ok 11162
188: ok 11163
188: ok 11164
188: ok 11165
188: ok 11166
188: ok 11167
188: ok 11168
188: ok 11169
188: ok 11170
188: ok 11171
188: ok 11172
188: ok 11173
188: ok 11174
188: ok 11175
188: ok 11176
188: ok 11177
188: ok 11178
188: ok 11179
188: ok 11180
188: ok 11181
188: ok 11182
188: ok 11183
188: ok 11184
188: ok 11185
188: ok 11186
188: ok 11187
188: ok 11188
188: ok 11189
188: ok 11190
188: ok 11191
188: ok 11192
188: ok 11193
188: ok 11194
188: ok 11195
188: ok 11196
188: ok 11197
188: ok 11198
188: ok 11199
188: ok 11200
188: ok 11201
188: ok 11202
188: ok 11203
188: ok 11204
188: ok 11205
188: ok 11206
188: ok 11207
188: ok 11208
188: ok 11209
188: ok 11210
188: ok 11211
188: ok 11212
188: ok 11213
188: ok 11214
188: ok 11215
188: ok 11216
188: ok 11217
188: ok 11218
188: ok 11219
188: ok 11220
188: ok 11221
188: ok 11222
188: ok 11223
188: ok 11224
188: ok 11225
188: ok 11226
188: ok 11227
188: ok 11228
188: ok 11229
188: ok 11230
188: ok 11231
188: ok 11232
188: ok 11233
188: ok 11234
188: ok 11235
188: ok 11236
188: ok 11237
188: ok 11238
188: ok 11239
188: ok 11240
188: ok 11241
188: ok 11242
188: ok 11243
188: ok 11244
188: ok 11245
188: ok 11246
188: ok 11247
188: ok 11248
188: ok 11249
188: ok 11250
188: ok 11251
188: ok 11252
188: ok 11253
188: ok 11254
188: ok 11255
188: ok 11256
188: ok 11257
188: ok 11258
188: ok 11259
188: ok 11260
188: ok 11261
188: ok 11262
188: ok 11263
188: ok 11264
188: ok 11265
188: ok 11266
188: ok 11267
188: ok 11268
188: ok 11269
188: ok 11270
188: ok 11271
188: ok 11272
188: ok 11273
188: ok 11274
188: ok 11275
188: ok 11276
188: ok 11277
188: ok 11278
188: ok 11279
188: ok 11280
188: ok 11281
188: ok 11282
188: ok 11283
188: ok 11284
188: ok 11285
188: ok 11286
188: ok 11287
188: ok 11288
188: ok 11289
188: ok 11290
188: ok 11291
188: ok 11292
188: ok 11293
188: ok 11294
188: ok 11295
188: ok 11296
188: ok 11297
188: ok 11298
188: ok 11299
188: ok 11300
188: ok 11301
188: ok 11302
188: ok 11303
188: ok 11304
188: ok 11305
188: ok 11306
188: ok 11307
188: ok 11308
188: ok 11309
188: ok 11310
188: ok 11311
188: ok 11312
188: ok 11313
188: ok 11314
188: ok 11315
188: ok 11316
188: ok 11317
188: ok 11318
188: ok 11319
188: ok 11320
188: ok 11321
188: ok 11322
188: ok 11323
188: ok 11324
188: ok 11325
188: ok 11326
188: ok 11327
188: ok 11328
188: ok 11329
188: ok 11330
188: ok 11331
188: ok 11332
188: ok 11333
188: ok 11334
188: ok 11335
188: ok 11336
188: ok 11337
188: ok 11338
188: ok 11339
188: ok 11340
188: ok 11341
188: ok 11342
188: ok 11343
188: ok 11344
188: ok 11345
188: ok 11346
188: ok 11347
188: ok 11348
188: ok 11349
188: ok 11350
188: ok 11351
188: ok 11352
188: ok 11353
188: ok 11354
188: ok 11355
188: ok 11356
188: ok 11357
188: ok 11358
188: ok 11359
188: ok 11360
188: ok 11361
188: ok 11362
188: ok 11363
188: ok 11364
188: ok 11365
188: ok 11366
188: ok 11367
188: ok 11368
188: ok 11369
188: ok 11370
188: ok 11371
188: ok 11372
188: ok 11373
188: ok 11374
188: ok 11375
188: ok 11376
188: ok 11377
188: ok 11378
188: ok 11379
188: ok 11380
188: ok 11381
188: ok 11382
188: ok 11383
188: ok 11384
188: ok 11385
188: ok 11386
188: ok 11387
188: ok 11388
188: ok 11389
188: ok 11390
188: ok 11391
188: ok 11392
188: ok 11393
188: ok 11394
188: ok 11395
188: ok 11396
188: ok 11397
188: ok 11398
188: ok 11399
188: ok 11400
188: ok 11401
188: ok 11402
188: ok 11403
188: ok 11404
188: ok 11405
188: ok 11406
188: ok 11407
188: ok 11408
188: ok 11409
188: ok 11410
188: ok 11411
188: ok 11412
188: ok 11413
188: ok 11414
188: ok 11415
188: ok 11416
188: ok 11417
188: ok 11418
188: ok 11419
188: ok 11420
188: ok 11421
188: ok 11422
188: ok 11423
188: ok 11424
188: ok 11425
188: ok 11426
188: ok 11427
188: ok 11428
188: ok 11429
188: ok 11430
188: ok 11431
188: ok 11432
188: ok 11433
188: ok 11434
188: ok 11435
188: ok 11436
188: ok 11437
188: ok 11438
188: ok 11439
188: ok 11440
188: ok 11441
188: ok 11442
188: ok 11443
188: ok 11444
188: ok 11445
188: ok 11446
188: ok 11447
188: ok 11448
188: ok 11449
188: ok 11450
188: ok 11451
188: ok 11452
188: ok 11453
188: ok 11454
188: ok 11455
188: ok 11456
188: ok 11457
188: ok 11458
188: ok 11459
188: ok 11460
188: ok 11461
188: ok 11462
188: ok 11463
188: ok 11464
188: ok 11465
188: ok 11466
188: ok 11467
188: ok 11468
188: ok 11469
188: ok 11470
188: ok 11471
188: ok 11472
188: ok 11473
188: ok 11474
188: ok 11475
188: ok 11476
188: ok 11477
188: ok 11478
188: ok 11479
188: ok 11480
188: ok 11481
188: ok 11482
188: ok 11483
188: ok 11484
188: ok 11485
188: ok 11486
188: ok 11487
188: ok 11488
188: ok 11489
188: ok 11490
188: ok 11491
188: ok 11492
188: ok 11493
188: ok 11494
188: ok 11495
188: ok 11496
188: ok 11497
188: ok 11498
188: ok 11499
188: ok 11500
188: ok 11501
188: ok 11502
188: ok 11503
188: ok 11504
188: ok 11505
188: ok 11506
188: ok 11507
188: ok 11508
188: ok 11509
188: ok 11510
188: ok 11511
188: ok 11512
188: ok 11513
188: ok 11514
188: ok 11515
188: ok 11516
188: ok 11517
188: ok 11518
188: ok 11519
188: ok 11520
188: ok 11521
188: ok 11522
188: ok 11523
188: ok 11524
188: ok 11525
188: ok 11526
188: ok 11527
188: ok 11528
188: ok 11529
188: ok 11530
188: ok 11531
188: ok 11532
188: ok 11533
188: ok 11534
188: ok 11535
188: ok 11536
188: ok 11537
188: ok 11538
188: ok 11539
188: ok 11540
188: ok 11541
188: ok 11542
188: ok 11543
188: ok 11544
188: ok 11545
188: ok 11546
188: ok 11547
188: ok 11548
188: ok 11549
188: ok 11550
188: ok 11551
188: ok 11552
188: ok 11553
188: ok 11554
188: ok 11555
188: ok 11556
188: ok 11557
188: ok 11558
188: ok 11559
188: ok 11560
188: ok 11561
188: ok 11562
188: ok 11563
188: ok 11564
188: ok 11565
188: ok 11566
188: ok 11567
188: ok 11568
188: ok 11569
188: ok 11570
188: ok 11571
188: ok 11572
188: ok 11573
188: ok 11574
188: ok 11575
188: ok 11576
188: ok 11577
188: ok 11578
188: ok 11579
188: ok 11580
188: ok 11581
188: ok 11582
188: ok 11583
188: ok 11584
188: ok 11585
188: ok 11586
188: ok 11587
188: ok 11588
188: ok 11589
188: ok 11590
188: ok 11591
188: ok 11592
188: ok 11593
188: ok 11594
188: ok 11595
188: ok 11596
188: ok 11597
188: ok 11598
188: ok 11599
188: ok 11600
188: ok 11601
188: ok 11602
188: ok 11603
188: ok 11604
188: ok 11605
188: ok 11606
188: ok 11607
188: ok 11608
188: ok 11609
188: ok 11610
188: ok 11611
188: ok 11612
188: ok 11613
188: ok 11614
188: ok 11615
188: ok 11616
188: ok 11617
188: ok 11618
188: ok 11619
188: ok 11620
188: ok 11621
188: ok 11622
188: ok 11623
188: ok 11624
188: ok 11625
188: ok 11626
188: ok 11627
188: ok 11628
188: ok 11629
188: ok 11630
188: ok 11631
188: ok 11632
188: ok 11633
188: ok 11634
188: ok 11635
188: ok 11636
188: ok 11637
188: ok 11638
188: ok 11639
188: ok 11640
188: ok 11641
188: ok 11642
188: ok 11643
188: ok 11644
188: ok 11645
188: ok 11646
188: ok 11647
188: ok 11648
188: ok 11649
188: ok 11650
188: ok 11651
188: ok 11652
188: ok 11653
188: ok 11654
188: ok 11655
188: ok 11656
188: ok 11657
188: ok 11658
188: ok 11659
188: ok 11660
188: ok 11661
188: ok 11662
188: ok 11663
188: ok 11664
188: ok 11665
188: ok 11666
188: ok 11667
188: ok 11668
188: ok 11669
188: ok 11670
188: ok 11671
188: ok 11672
188: ok 11673
188: ok 11674
188: ok 11675
188: ok 11676
188: ok 11677
188: ok 11678
188: ok 11679
188: ok 11680
188: ok 11681
188: ok 11682
188: ok 11683
188: ok 11684
188: ok 11685
188: ok 11686
188: ok 11687
188: ok 11688
188: ok 11689
188: ok 11690
188: ok 11691
188: ok 11692
188: ok 11693
188: ok 11694
188: ok 11695
188: ok 11696
188: ok 11697
188: ok 11698
188: ok 11699
188: ok 11700
188: ok 11701
188: ok 11702
188: ok 11703
188: ok 11704
188: ok 11705
188: ok 11706
188: ok 11707
188: ok 11708
188: ok 11709
188: ok 11710
188: ok 11711
188: ok 11712
188: ok 11713
188: ok 11714
188: ok 11715
188: ok 11716
188: ok 11717
188: ok 11718
188: ok 11719
188: ok 11720
188: ok 11721
188: ok 11722
188: ok 11723
188: ok 11724
188: ok 11725
188: ok 11726
188: ok 11727
188: ok 11728
188: ok 11729
188: ok 11730
188: ok 11731
188: ok 11732
188: ok 11733
188: ok 11734
188: ok 11735
188: ok 11736
188: ok 11737
188: ok 11738
188: ok 11739
188: ok 11740
188: ok 11741
188: ok 11742
188: ok 11743
188: ok 11744
188: ok 11745
188: ok 11746
188: ok 11747
188: ok 11748
188: ok 11749
188: ok 11750
188: ok 11751
188: ok 11752
188: ok 11753
188: ok 11754
188: ok 11755
188: ok 11756
188: ok 11757
188: ok 11758
188: ok 11759
188: ok 11760
188: ok 11761
188: ok 11762
188: ok 11763
188: ok 11764
188: ok 11765
188: ok 11766
188: ok 11767
188: ok 11768
188: ok 11769
188: ok 11770
188: ok 11771
188: ok 11772
188: ok 11773
188: ok 11774
188: ok 11775
188: ok 11776
188: ok 11777
188: ok 11778
188: ok 11779
188: ok 11780
188: ok 11781
188: ok 11782
188: ok 11783
188: ok 11784
188: ok 11785
188: ok 11786
188: ok 11787
188: ok 11788
188: ok 11789
188: ok 11790
188: ok 11791
188: ok 11792
188: ok 11793
188: ok 11794
188: ok 11795
188: ok 11796
188: ok 11797
188: ok 11798
188: ok 11799
188: ok 11800
188: ok 11801
188: ok 11802
188: ok 11803
188: ok 11804
188: ok 11805
188: ok 11806
188: ok 11807
188: ok 11808
188: ok 11809
188: ok 11810
188: ok 11811
188: ok 11812
188: ok 11813
188: ok 11814
188: ok 11815
188: ok 11816
188: ok 11817
188: ok 11818
188: ok 11819
188: ok 11820
188: ok 11821
188: ok 11822
188: ok 11823
188: ok 11824
188: ok 11825
188: ok 11826
188: ok 11827
188: ok 11828
188: ok 11829
188: ok 11830
188: ok 11831
188: ok 11832
188: ok 11833
188: ok 11834
188: ok 11835
188: ok 11836
188: ok 11837
188: ok 11838
188: ok 11839
188: ok 11840
188: ok 11841
188: ok 11842
188: ok 11843
188: ok 11844
188: ok 11845
188: ok 11846
188: ok 11847
188: ok 11848
188: ok 11849
188: ok 11850
188: ok 11851
188: ok 11852
188: ok 11853
188: ok 11854
188: ok 11855
188: ok 11856
188: ok 11857
188: ok 11858
188: ok 11859
188: ok 11860
188: ok 11861
188: ok 11862
188: ok 11863
188: ok 11864
188: ok 11865
188: ok 11866
188: ok 11867
188: ok 11868
188: ok 11869
188: ok 11870
188: ok 11871
188: ok 11872
188: ok 11873
188: ok 11874
188: ok 11875
188: ok 11876
188: ok 11877
188: ok 11878
188: ok 11879
188: ok 11880
188: ok 11881
188: ok 11882
188: ok 11883
188: ok 11884
188: ok 11885
188: ok 11886
188: ok 11887
188: ok 11888
188: ok 11889
188: ok 11890
188: ok 11891
188: ok 11892
188: ok 11893
188: ok 11894
188: ok 11895
188: ok 11896
188: ok 11897
188: ok 11898
188: ok 11899
188: ok 11900
188: ok 11901
188: ok 11902
188: ok 11903
188: ok 11904
188: ok 11905
188: ok 11906
188: ok 11907
188: ok 11908
188: ok 11909
188: ok 11910
188: ok 11911
188: ok 11912
188: ok 11913
188: ok 11914
188: ok 11915
188: ok 11916
188: ok 11917
188: ok 11918
188: ok 11919
188: ok 11920
188: ok 11921
188: ok 11922
188: ok 11923
188: ok 11924
188: ok 11925
188: ok 11926
188: ok 11927
188: ok 11928
188: ok 11929
188: ok 11930
188: ok 11931
188: ok 11932
188: ok 11933
188: ok 11934
188: ok 11935
188: ok 11936
188: ok 11937
188: ok 11938
188: ok 11939
188: ok 11940
188: ok 11941
188: ok 11942
188: ok 11943
188: ok 11944
188: ok 11945
188: ok 11946
188: ok 11947
188: ok 11948
188: ok 11949
188: ok 11950
188: ok 11951
188: ok 11952
188: ok 11953
188: ok 11954
188: ok 11955
188: ok 11956
188: ok 11957
188: ok 11958
188: ok 11959
188: ok 11960
188: ok 11961
188: ok 11962
188: ok 11963
188: ok 11964
188: ok 11965
188: ok 11966
188: ok 11967
188: ok 11968
188: ok 11969
188: ok 11970
188: ok 11971
188: ok 11972
188: ok 11973
188: ok 11974
188: ok 11975
188: ok 11976
188: ok 11977
188: ok 11978
188: ok 11979
188: ok 11980
188: ok 11981
188: ok 11982
188: ok 11983
188: ok 11984
188: ok 11985
188: ok 11986
188: ok 11987
188: ok 11988
188: ok 11989
188: ok 11990
188: ok 11991
188: ok 11992
188: ok 11993
188: ok 11994
188: ok 11995
188: ok 11996
188: ok 11997
188: ok 11998
188: ok 11999
188: ok 12000
188: ok 12001
188: ok 12002
188: ok 12003
188: ok 12004
188: ok 12005
188: ok 12006
188: ok 12007
188: ok 12008
188: ok 12009
188: ok 12010
188: ok 12011
188: ok 12012
188: ok 12013
188: ok 12014
188: ok 12015
188: ok 12016
188: ok 12017
188: ok 12018
188: ok 12019
188: ok 12020
188: ok 12021
188: ok 12022
188: ok 12023
188: ok 12024
188: ok 12025
188: ok 12026
188: ok 12027
188: ok 12028
188: ok 12029
188: ok 12030
188: ok 12031
188: ok 12032
188: ok 12033
188: ok 12034
188: ok 12035
188: ok 12036
188: ok 12037
188: ok 12038
188: ok 12039
188: ok 12040
188: ok 12041
188: ok 12042
188: ok 12043
188: ok 12044
188: ok 12045
188: ok 12046
188: ok 12047
188: ok 12048
188: ok 12049
188: ok 12050
188: ok 12051
188: ok 12052
188: ok 12053
188: ok 12054
188: ok 12055
188: ok 12056
188: ok 12057
188: ok 12058
188: ok 12059
188: ok 12060
188: ok 12061
188: ok 12062
188: ok 12063
188: ok 12064
188: ok 12065
188: ok 12066
188: ok 12067
188: ok 12068
188: ok 12069
188: ok 12070
188: ok 12071
188: ok 12072
188: ok 12073
188: ok 12074
188: ok 12075
188: ok 12076
188: ok 12077
188: ok 12078
188: ok 12079
188: ok 12080
188: ok 12081
188: ok 12082
188: ok 12083
188: ok 12084
188: ok 12085
188: ok 12086
188: ok 12087
188: ok 12088
188: ok 12089
188: ok 12090
188: ok 12091
188: ok 12092
188: ok 12093
188: ok 12094
188: ok 12095
188: ok 12096
188: ok 12097
188: ok 12098
188: ok 12099
188: ok 12100
188: ok 12101
188: ok 12102
188: ok 12103
188: ok 12104
188: ok 12105
188: ok 12106
188: ok 12107
188: ok 12108
188: ok 12109
188: ok 12110
188: ok 12111
188: ok 12112
188: ok 12113
188: ok 12114
188: ok 12115
188: ok 12116
188: ok 12117
188: ok 12118
188: ok 12119
188: ok 12120
188: ok 12121
188: ok 12122
188: ok 12123
188: ok 12124
188: ok 12125
188: ok 12126
188: ok 12127
188: ok 12128
188: ok 12129
188: ok 12130
188: ok 12131
188: ok 12132
188: ok 12133
188: ok 12134
188: ok 12135
188: ok 12136
188: ok 12137
188: ok 12138
188: ok 12139
188: ok 12140
188: ok 12141
188: ok 12142
188: ok 12143
188: ok 12144
188: ok 12145
188: ok 12146
188: ok 12147
188: ok 12148
188: ok 12149
188: ok 12150
188: ok 12151
188: ok 12152
188: ok 12153
188: ok 12154
188: ok 12155
188: ok 12156
188: ok 12157
188: ok 12158
188: ok 12159
188: ok 12160
188: ok 12161
188: ok 12162
188: ok 12163
188: ok 12164
188: ok 12165
188: ok 12166
188: ok 12167
188: ok 12168
188: ok 12169
188: ok 12170
188: ok 12171
188: ok 12172
188: ok 12173
188: ok 12174
188: ok 12175
188: ok 12176
188: ok 12177
188: ok 12178
188: ok 12179
188: ok 12180
188: ok 12181
188: ok 12182
188: ok 12183
188: ok 12184
188: ok 12185
188: ok 12186
188: ok 12187
188: ok 12188
188: ok 12189
188: ok 12190
188: ok 12191
188: ok 12192
188: ok 12193
188: ok 12194
188: ok 12195
188: ok 12196
188: ok 12197
188: ok 12198
188: ok 12199
188: ok 12200
188: ok 12201
188: ok 12202
188: ok 12203
188: ok 12204
188: ok 12205
188: ok 12206
188: ok 12207
188: ok 12208
188: ok 12209
188: ok 12210
188: ok 12211
188: ok 12212
188: ok 12213
188: ok 12214
188: ok 12215
188: ok 12216
188: ok 12217
188: ok 12218
188: ok 12219
188: ok 12220
188: ok 12221
188: ok 12222
188: ok 12223
188: ok 12224
188: ok 12225
188: ok 12226
188: ok 12227
188: ok 12228
188: ok 12229
188: ok 12230
188: ok 12231
188: ok 12232
188: ok 12233
188: ok 12234
188: ok 12235
188: ok 12236
188: ok 12237
188: ok 12238
188: ok 12239
188: ok 12240
188: ok 12241
188: ok 12242
188: ok 12243
188: ok 12244
188: ok 12245
188: ok 12246
188: ok 12247
188: ok 12248
188: ok 12249
188: ok 12250
188: ok 12251
188: ok 12252
188: ok 12253
188: ok 12254
188: ok 12255
188: ok 12256
188: ok 12257
188: ok 12258
188: ok 12259
188: ok 12260
188: ok 12261
188: ok 12262
188: ok 12263
188: ok 12264
188: ok 12265
188: ok 12266
188: ok 12267
188: ok 12268
188: ok 12269
188: ok 12270
188: ok 12271
188: ok 12272
188: ok 12273
188: ok 12274
188: ok 12275
188: ok 12276
188: ok 12277
188: ok 12278
188: ok 12279
188: ok 12280
188: ok 12281
188: ok 12282
188: ok 12283
188: ok 12284
188: ok 12285
188: ok 12286
188: ok 12287
188: ok 12288
188: ok 12289
188: ok 12290
188: ok 12291
188: ok 12292
188: ok 12293
188: ok 12294
188: ok 12295
188: ok 12296
188: ok 12297
188: ok 12298
188: ok 12299
188: ok 12300
188: ok 12301
188: ok 12302
188: ok 12303
188: ok 12304
188: ok 12305
188: ok 12306
188: ok 12307
188: ok 12308
188: ok 12309
188: ok 12310
188: ok 12311
188: ok 12312
188: ok 12313
188: ok 12314
188: ok 12315
188: ok 12316
188: ok 12317
188: ok 12318
188: ok 12319
188: ok 12320
188: ok 12321
188: ok 12322
188: ok 12323
188: ok 12324
188: ok 12325
188: ok 12326
188: ok 12327
188: ok 12328
188: ok 12329
188: ok 12330
188: ok 12331
188: ok 12332
188: ok 12333
188: ok 12334
188: ok 12335
188: ok 12336
188: ok 12337
188: ok 12338
188: ok 12339
188: ok 12340
188: ok 12341
188: ok 12342
188: ok 12343
188: ok 12344
188: ok 12345
188: ok 12346
188: ok 12347
188: ok 12348
188: ok 12349
188: ok 12350
188: ok 12351
188: ok 12352
188: ok 12353
188: ok 12354
188: ok 12355
188: ok 12356
188: ok 12357
188: ok 12358
188: ok 12359
188: ok 12360
188: ok 12361
188: ok 12362
188: ok 12363
188: ok 12364
188: ok 12365
188: ok 12366
188: ok 12367
188: ok 12368
188: ok 12369
188: ok 12370
188: ok 12371
188: ok 12372
188: ok 12373
188: ok 12374
188: ok 12375
188: ok 12376
188: ok 12377
188: ok 12378
188: ok 12379
188: ok 12380
188: ok 12381
188: ok 12382
188: ok 12383
188: ok 12384
188: ok 12385
188: ok 12386
188: ok 12387
188: ok 12388
188: ok 12389
188: ok 12390
188: ok 12391
188: ok 12392
188: ok 12393
188: ok 12394
188: ok 12395
188: ok 12396
188: ok 12397
188: ok 12398
188: ok 12399
188: ok 12400
188: ok 12401
188: ok 12402
188: ok 12403
188: ok 12404
188: ok 12405
188: ok 12406
188: ok 12407
188: ok 12408
188: ok 12409
188: ok 12410
188: ok 12411
188: ok 12412
188: ok 12413
188: ok 12414
188: ok 12415
188: ok 12416
188: ok 12417
188: ok 12418
188: ok 12419
188: ok 12420
188: ok 12421
188: ok 12422
188: ok 12423
188: ok 12424
188: ok 12425
188: ok 12426
188: ok 12427
188: ok 12428
188: ok 12429
188: ok 12430
188: ok 12431
188: ok 12432
188: ok 12433
188: ok 12434
188: ok 12435
188: ok 12436
188: ok 12437
188: ok 12438
188: ok 12439
188: ok 12440
188: ok 12441
188: ok 12442
188: ok 12443
188: ok 12444
188: ok 12445
188: ok 12446
188: ok 12447
188: ok 12448
188: ok 12449
188: ok 12450
188: ok 12451
188: ok 12452
188: ok 12453
188: ok 12454
188: ok 12455
188: ok 12456
188: ok 12457
188: ok 12458
188: ok 12459
188: ok 12460
188: ok 12461
188: ok 12462
188: ok 12463
188: ok 12464
188: ok 12465
188: ok 12466
188: ok 12467
188: ok 12468
188: ok 12469
188: ok 12470
188: ok 12471
188: ok 12472
188: ok 12473
188: ok 12474
188: ok 12475
188: ok 12476
188: ok 12477
188: ok 12478
188: ok 12479
188: ok 12480
188: ok 12481
188: ok 12482
188: ok 12483
188: ok 12484
188: ok 12485
188: ok 12486
188: ok 12487
188: ok 12488
188: ok 12489
188: ok 12490
188: ok 12491
188: ok 12492
188: ok 12493
188: ok 12494
188: ok 12495
188: ok 12496
188: ok 12497
188: ok 12498
188: ok 12499
188: ok 12500
188: ok 12501
188: ok 12502
188: ok 12503
188: ok 12504
188: ok 12505
188: ok 12506
188: ok 12507
188: ok 12508
188: ok 12509
188: ok 12510
188: ok 12511
188: ok 12512
188: ok 12513
188: ok 12514
188: ok 12515
188: ok 12516
188: ok 12517
188: ok 12518
188: ok 12519
188: ok 12520
188: ok 12521
188: ok 12522
188: ok 12523
188: ok 12524
188: ok 12525
188: ok 12526
188: ok 12527
188: ok 12528
188: ok 12529
188: ok 12530
188: ok 12531
188: ok 12532
188: ok 12533
188: ok 12534
188: ok 12535
188: ok 12536
188: ok 12537
188: ok 12538
188: ok 12539
188: ok 12540
188: ok 12541
188: ok 12542
188: ok 12543
188: ok 12544
188: ok 12545
188: ok 12546
188: ok 12547
188: ok 12548
188: ok 12549
188: ok 12550
188: ok 12551
188: ok 12552
188: ok 12553
188: ok 12554
188: ok 12555
188: ok 12556
188: ok 12557
188: ok 12558
188: ok 12559
188: ok 12560
188: ok 12561
188: ok 12562
188: ok 12563
188: ok 12564
188: ok 12565
188: ok 12566
188: ok 12567
188: ok 12568
188: ok 12569
188: ok 12570
188: ok 12571
188: ok 12572
188: ok 12573
188: ok 12574
188: ok 12575
188: ok 12576
188: ok 12577
188: ok 12578
188: ok 12579
188: ok 12580
188: ok 12581
188: ok 12582
188: ok 12583
188: ok 12584
188: ok 12585
188: ok 12586
188: ok 12587
188: ok 12588
188: ok 12589
188: ok 12590
188: ok 12591
188: ok 12592
188: ok 12593
188: ok 12594
188: ok 12595
188: ok 12596
188: ok 12597
188: ok 12598
188: ok 12599
188: ok 12600
188: ok 12601
188: ok 12602
188: ok 12603
188: ok 12604
188: ok 12605
188: ok 12606
188: ok 12607
188: ok 12608
188: ok 12609
188: ok 12610
188: ok 12611
188: ok 12612
188: ok 12613
188: ok 12614
188: ok 12615
188: ok 12616
188: ok 12617
188: ok 12618
188: ok 12619
188: ok 12620
188: ok 12621
188: ok 12622
188: ok 12623
188: ok 12624
188: ok 12625
188: ok 12626
188: ok 12627
188: ok 12628
188: ok 12629
188: ok 12630
188: ok 12631
188: ok 12632
188: ok 12633
188: ok 12634
188: ok 12635
188: ok 12636
188: ok 12637
188: ok 12638
188: ok 12639
188: ok 12640
188: ok 12641
188: ok 12642
188: ok 12643
188: ok 12644
188: ok 12645
188: ok 12646
188: ok 12647
188: ok 12648
188: ok 12649
188: ok 12650
188: ok 12651
188: ok 12652
188: ok 12653
188: ok 12654
188: ok 12655
188: ok 12656
188: ok 12657
188: ok 12658
188: ok 12659
188: ok 12660
188: ok 12661
188: ok 12662
188: ok 12663
188: ok 12664
188: ok 12665
188: ok 12666
188: ok 12667
188: ok 12668
188: ok 12669
188: ok 12670
188: ok 12671
188: ok 12672
188: ok 12673
188: ok 12674
188: ok 12675
188: ok 12676
188: ok 12677
188: ok 12678
188: ok 12679
188: ok 12680
188: ok 12681
188: ok 12682
188: ok 12683
188: ok 12684
188: ok 12685
188: ok 12686
188: ok 12687
188: ok 12688
188: ok 12689
188: ok 12690
188: ok 12691
188: ok 12692
188: ok 12693
188: ok 12694
188: ok 12695
188: ok 12696
188: ok 12697
188: ok 12698
188: ok 12699
188: ok 12700
188: ok 12701
188: ok 12702
188: ok 12703
188: ok 12704
188: ok 12705
188: ok 12706
188: ok 12707
188: ok 12708
188: ok 12709
188: ok 12710
188: ok 12711
188: ok 12712
188: ok 12713
188: ok 12714
188: ok 12715
188: ok 12716
188: ok 12717
188: ok 12718
188: ok 12719
188: ok 12720
188: ok 12721
188: ok 12722
188: ok 12723
188: ok 12724
188: ok 12725
188: ok 12726
188: ok 12727
188: ok 12728
188: ok 12729
188: ok 12730
188: ok 12731
188: ok 12732
188: ok 12733
188: ok 12734
188: ok 12735
188: ok 12736
188: ok 12737
188: ok 12738
188: ok 12739
188: ok 12740
188: ok 12741
188: ok 12742
188: ok 12743
188: ok 12744
188: ok 12745
188: ok 12746
188: ok 12747
188: ok 12748
188: ok 12749
188: ok 12750
188: ok 12751
188: ok 12752
188: ok 12753
188: ok 12754
188: ok 12755
188: ok 12756
188: ok 12757
188: ok 12758
188: ok 12759
188: ok 12760
188: ok 12761
188: ok 12762
188: ok 12763
188: ok 12764
188: ok 12765
188: ok 12766
188: ok 12767
188: ok 12768
188: ok 12769
188: ok 12770
188: ok 12771
188: ok 12772
188: ok 12773
188: ok 12774
188: ok 12775
188: ok 12776
188: ok 12777
188: ok 12778
188: ok 12779
188: ok 12780
188: ok 12781
188: ok 12782
188: ok 12783
188: ok 12784
188: ok 12785
188: ok 12786
188: ok 12787
188: ok 12788
188: ok 12789
188: ok 12790
188: ok 12791
188: ok 12792
188: ok 12793
188: ok 12794
188: ok 12795
188: ok 12796
188: ok 12797
188: ok 12798
188: ok 12799
188: ok 12800
188: ok 12801
188: ok 12802
188: ok 12803
188: ok 12804
188: ok 12805
188: ok 12806
188: ok 12807
188: ok 12808
188: ok 12809
188: ok 12810
188: ok 12811
188: ok 12812
188: ok 12813
188: ok 12814
188: ok 12815
188: ok 12816
188: ok 12817
188: ok 12818
188: ok 12819
188: ok 12820
188: ok 12821
188: ok 12822
188: ok 12823
188: ok 12824
188: ok 12825
188: ok 12826
188: ok 12827
188: ok 12828
188: ok 12829
188: ok 12830
188: ok 12831
188: ok 12832
188: ok 12833
188: ok 12834
188: ok 12835
188: ok 12836
188: ok 12837
188: ok 12838
188: ok 12839
188: ok 12840
188: ok 12841
188: ok 12842
188: ok 12843
188: ok 12844
188: ok 12845
188: ok 12846
188: ok 12847
188: ok 12848
188: ok 12849
188: ok 12850
188: ok 12851
188: ok 12852
188: ok 12853
188: ok 12854
188: ok 12855
188: ok 12856
188: ok 12857
188: ok 12858
188: ok 12859
188: ok 12860
188: ok 12861
188: ok 12862
188: ok 12863
188: ok 12864
188: ok 12865
188: ok 12866
188: ok 12867
188: ok 12868
188: ok 12869
188: ok 12870
188: ok 12871
188: ok 12872
188: ok 12873
188: ok 12874
188: ok 12875
188: ok 12876
188: ok 12877
188: ok 12878
188: ok 12879
188: ok 12880
188: ok 12881
188: ok 12882
188: ok 12883
188: ok 12884
188: ok 12885
188: ok 12886
188: ok 12887
188: ok 12888
188: ok 12889
188: ok 12890
188: ok 12891
188: ok 12892
188: ok 12893
188: ok 12894
188: ok 12895
188: ok 12896
188: ok 12897
188: ok 12898
188: ok 12899
188: ok 12900
188: ok 12901
188: ok 12902
188: ok 12903
188: ok 12904
188: ok 12905
188: ok 12906
188: ok 12907
188: ok 12908
188: ok 12909
188: ok 12910
188: ok 12911
188: ok 12912
188: ok 12913
188: ok 12914
188: ok 12915
188: ok 12916
188: ok 12917
188: ok 12918
188: ok 12919
188: ok 12920
188: ok 12921
188: ok 12922
188: ok 12923
188: ok 12924
188: ok 12925
188: ok 12926
188: ok 12927
188: ok 12928
188: ok 12929
188: ok 12930
188: ok 12931
188: ok 12932
188: ok 12933
188: ok 12934
188: ok 12935
188: ok 12936
188: ok 12937
188: ok 12938
188: ok 12939
188: ok 12940
188: ok 12941
188: ok 12942
188: ok 12943
188: ok 12944
188: ok 12945
188: ok 12946
188: ok 12947
188: ok 12948
188: ok 12949
188: ok 12950
188: ok 12951
188: ok 12952
188: ok 12953
188: ok 12954
188: ok 12955
188: ok 12956
188: ok 12957
188: ok 12958
188: ok 12959
188: ok 12960
188: ok 12961
188: ok 12962
188: ok 12963
188: ok 12964
188: ok 12965
188: ok 12966
188: ok 12967
188: ok 12968
188: ok 12969
188: ok 12970
188: ok 12971
188: ok 12972
188: ok 12973
188: ok 12974
188: ok 12975
188: ok 12976
188: ok 12977
188: ok 12978
188: ok 12979
188: ok 12980
188: ok 12981
188: ok 12982
188: ok 12983
188: ok 12984
188: ok 12985
188: ok 12986
188: ok 12987
188: ok 12988
188: ok 12989
188: ok 12990
188: ok 12991
188: ok 12992
188: ok 12993
188: ok 12994
188: ok 12995
188: ok 12996
188: ok 12997
188: ok 12998
188: ok 12999
188: ok 13000
188: ok 13001
188: ok 13002
188: ok 13003
188: ok 13004
188: ok 13005
188: ok 13006
188: ok 13007
188: ok 13008
188: ok 13009
188: ok 13010
188: ok 13011
188: ok 13012
188: ok 13013
188: ok 13014
188: ok 13015
188: ok 13016
188: ok 13017
188: ok 13018
188: ok 13019
188: ok 13020
188: ok 13021
188: ok 13022
188: ok 13023
188: ok 13024
188: ok 13025
188: ok 13026
188: ok 13027
188: ok 13028
188: ok 13029
188: ok 13030
188: ok 13031
188: ok 13032
188: ok 13033
188: ok 13034
188: ok 13035
188: ok 13036
188: ok 13037
188: ok 13038
188: ok 13039
188: ok 13040
188: ok 13041
188: ok 13042
188: ok 13043
188: ok 13044
188: ok 13045
188: ok 13046
188: ok 13047
188: ok 13048
188: ok 13049
188: ok 13050
188: ok 13051
188: ok 13052
188: ok 13053
188: ok 13054
188: ok 13055
188: ok 13056
188: ok 13057
188: ok 13058
188: ok 13059
188: ok 13060
188: ok 13061
188: ok 13062
188: ok 13063
188: ok 13064
188: ok 13065
188: ok 13066
188: ok 13067
188: ok 13068
188: ok 13069
188: ok 13070
188: ok 13071
188: ok 13072
188: ok 13073
188: ok 13074
188: ok 13075
188: ok 13076
188: ok 13077
188: ok 13078
188: ok 13079
188: ok 13080
188: ok 13081
188: ok 13082
188: ok 13083
188: ok 13084
188: ok 13085
188: ok 13086
188: ok 13087
188: ok 13088
188: ok 13089
188: ok 13090
188: ok 13091
188: ok 13092
188: ok 13093
188: ok 13094
188: ok 13095
188: ok 13096
188: ok 13097
188: ok 13098
188: ok 13099
188: ok 13100
188: ok 13101
188: ok 13102
188: ok 13103
188: ok 13104
188: ok 13105
188: ok 13106
188: ok 13107
188: ok 13108
188: ok 13109
188: ok 13110
188: ok 13111
188: ok 13112
188: ok 13113
188: ok 13114
188: ok 13115
188: ok 13116
188: ok 13117
188: ok 13118
188: ok 13119
188: ok 13120
188: ok 13121
188: ok 13122
188: ok 13123
188: ok 13124
188: ok 13125
188: ok 13126
188: ok 13127
188: ok 13128
188: ok 13129
188: ok 13130
188: ok 13131
188: ok 13132
188: ok 13133
188: ok 13134
188: ok 13135
188: ok 13136
188: ok 13137
188: ok 13138
188: ok 13139
188: ok 13140
188: ok 13141
188: ok 13142
188: ok 13143
188: ok 13144
188: ok 13145
188: ok 13146
188: ok 13147
188: ok 13148
188: ok 13149
188: ok 13150
188: ok 13151
188: ok 13152
188: ok 13153
188: ok 13154
188: ok 13155
188: ok 13156
188: ok 13157
188: ok 13158
188: ok 13159
188: ok 13160
188: ok 13161
188: ok 13162
188: ok 13163
188: ok 13164
188: ok 13165
188: ok 13166
188: ok 13167
188: ok 13168
188: ok 13169
188: ok 13170
188: ok 13171
188: ok 13172
188: ok 13173
188: ok 13174
188: ok 13175
188: ok 13176
188: ok 13177
188: ok 13178
188: ok 13179
188: ok 13180
188: ok 13181
188: ok 13182
188: ok 13183
188: ok 13184
188: ok 13185
188: ok 13186
188: ok 13187
188: ok 13188
188: ok 13189
188: ok 13190
188: ok 13191
188: ok 13192
188: ok 13193
188: ok 13194
188: ok 13195
188: ok 13196
188: ok 13197
188: ok 13198
188: ok 13199
188: ok 13200
188: ok 13201
188: ok 13202
188: ok 13203
188: ok 13204
188: ok 13205
188: ok 13206
188: ok 13207
188: ok 13208
188: ok 13209
188: ok 13210
188: ok 13211
188: ok 13212
188: ok 13213
188: ok 13214
188: ok 13215
188: ok 13216
188: ok 13217
188: ok 13218
188: ok 13219
188: ok 13220
188: ok 13221
188: ok 13222
188: ok 13223
188: ok 13224
188: ok 13225
188: ok 13226
188: ok 13227
188: ok 13228
188: ok 13229
188: ok 13230
188: ok 13231
188: ok 13232
188: ok 13233
188: ok 13234
188: ok 13235
188: ok 13236
188: ok 13237
188: ok 13238
188: ok 13239
188: ok 13240
188: ok 13241
188: ok 13242
188: ok 13243
188: ok 13244
188: ok 13245
188: ok 13246
188: ok 13247
188: ok 13248
188: ok 13249
188: ok 13250
188: ok 13251
188: ok 13252
188: ok 13253
188: ok 13254
188: ok 13255
188: ok 13256
188: ok 13257
188: ok 13258
188: ok 13259
188: ok 13260
188: ok 13261
188: ok 13262
188: ok 13263
188: ok 13264
188: ok 13265
188: ok 13266
188: ok 13267
188: ok 13268
188: ok 13269
188: ok 13270
188: ok 13271
188: ok 13272
188: ok 13273
188: ok 13274
188: ok 13275
188: ok 13276
188: ok 13277
188: ok 13278
188: ok 13279
188: ok 13280
188: ok 13281
188: ok 13282
188: ok 13283
188: ok 13284
188: ok 13285
188: ok 13286
188: ok 13287
188: ok 13288
188: ok 13289
188: ok 13290
188: ok 13291
188: ok 13292
188: ok 13293
188: ok 13294
188: ok 13295
188: ok 13296
188: ok 13297
188: ok 13298
188: ok 13299
188: ok 13300
188: ok 13301
188: ok 13302
188: ok 13303
188: ok 13304
188: ok 13305
188: ok 13306
188: ok 13307
188: ok 13308
188: ok 13309
188: ok 13310
188: ok 13311
188: ok 13312
188: ok 13313
188: ok 13314
188: ok 13315
188: ok 13316
188: ok 13317
188: ok 13318
188: ok 13319
188: ok 13320
188: ok 13321
188: ok 13322
188: ok 13323
188: ok 13324
188: ok 13325
188: ok 13326
188: ok 13327
188: ok 13328
188: ok 13329
188: ok 13330
188: ok 13331
188: ok 13332
188: ok 13333
188: ok 13334
188: ok 13335
188: ok 13336
188: ok 13337
188: ok 13338
188: ok 13339
188: ok 13340
188: ok 13341
188: ok 13342
188: ok 13343
188: ok 13344
188: ok 13345
188: ok 13346
188: ok 13347
188: ok 13348
188: ok 13349
188: ok 13350
188: ok 13351
188: ok 13352
188: ok 13353
188: ok 13354
188: ok 13355
188: ok 13356
188: ok 13357
188: ok 13358
188: ok 13359
188: ok 13360
188: ok 13361
188: ok 13362
188: ok 13363
188: ok 13364
188: ok 13365
188: ok 13366
188: ok 13367
188: ok 13368
188: ok 13369
188: ok 13370
188: ok 13371
188: ok 13372
188: ok 13373
188: ok 13374
188: ok 13375
188: ok 13376
188: ok 13377
188: ok 13378
188: ok 13379
188: ok 13380
188: ok 13381
188: ok 13382
188: ok 13383
188: ok 13384
188: ok 13385
188: ok 13386
188: ok 13387
188: ok 13388
188: ok 13389
188: ok 13390
188: ok 13391
188: ok 13392
188: ok 13393
188: ok 13394
188: ok 13395
188: ok 13396
188: ok 13397
188: ok 13398
188: ok 13399
188: ok 13400
188: ok 13401
188: ok 13402
188: ok 13403
188: ok 13404
188: ok 13405
188: ok 13406
188: ok 13407
188: ok 13408
188: ok 13409
188: ok 13410
188: ok 13411
188: ok 13412
188: ok 13413
188: ok 13414
188: ok 13415
188: ok 13416
188: ok 13417
188: ok 13418
188: ok 13419
188: ok 13420
188: ok 13421
188: ok 13422
188: ok 13423
188: ok 13424
188: ok 13425
188: ok 13426
188: ok 13427
188: ok 13428
188: ok 13429
188: ok 13430
188: ok 13431
188: ok 13432
188: ok 13433
188: ok 13434
188: ok 13435
188: ok 13436
188: ok 13437
188: ok 13438
188: ok 13439
188: ok 13440
188: ok 13441
188: ok 13442
188: ok 13443
188: ok 13444
188: ok 13445
188: ok 13446
188: ok 13447
188: ok 13448
188: ok 13449
188: ok 13450
188: ok 13451
188: ok 13452
188: ok 13453
188: ok 13454
188: ok 13455
188: ok 13456
188: ok 13457
188: ok 13458
188: ok 13459
188: ok 13460
188: ok 13461
188: ok 13462
188: ok 13463
188: ok 13464
188: ok 13465
188: ok 13466
188: ok 13467
188: ok 13468
188: ok 13469
188: ok 13470
188: ok 13471
188: ok 13472
188: ok 13473
188: ok 13474
188: ok 13475
188: ok 13476
188: ok 13477
188: ok 13478
188: ok 13479
188: ok 13480
188: ok 13481
188: ok 13482
188: ok 13483
188: ok 13484
188: ok 13485
188: ok 13486
188: ok 13487
188: ok 13488
188: ok 13489
188: ok 13490
188: ok 13491
188: ok 13492
188: ok 13493
188: ok 13494
188: ok 13495
188: ok 13496
188: ok 13497
188: ok 13498
188: ok 13499
188: ok 13500
188: ok 13501
188: ok 13502
188: ok 13503
188: ok 13504
188: ok 13505
188: ok 13506
188: ok 13507
188: ok 13508
188: ok 13509
188: ok 13510
188: ok 13511
188: ok 13512
188: ok 13513
188: ok 13514
188: ok 13515
188: ok 13516
188: ok 13517
188: ok 13518
188: ok 13519
188: ok 13520
188: ok 13521
188: ok 13522
188: ok 13523
188: ok 13524
188: ok 13525
188: ok 13526
188: ok 13527
188: ok 13528
188: ok 13529
188: ok 13530
188: ok 13531
188: ok 13532
188: ok 13533
188: ok 13534
188: ok 13535
188: ok 13536
188: ok 13537
188: ok 13538
188: ok 13539
188: ok 13540
188: ok 13541
188: ok 13542
188: ok 13543
188: ok 13544
188: ok 13545
188: ok 13546
188: ok 13547
188: ok 13548
188: ok 13549
188: ok 13550
188: ok 13551
188: ok 13552
188: ok 13553
188: ok 13554
188: ok 13555
188: ok 13556
188: ok 13557
188: ok 13558
188: ok 13559
188: ok 13560
188: ok 13561
188: ok 13562
188: ok 13563
188: ok 13564
188: ok 13565
188: ok 13566
188: ok 13567
188: ok 13568
188: ok 13569
188: ok 13570
188: ok 13571
188: ok 13572
188: ok 13573
188: ok 13574
188: ok 13575
188: ok 13576
188: ok 13577
188: ok 13578
188: ok 13579
188: ok 13580
188: ok 13581
188: ok 13582
188: ok 13583
188: ok 13584
188: ok 13585
188: ok 13586
188: ok 13587
188: ok 13588
188: ok 13589
188: ok 13590
188: ok 13591
188: ok 13592
188: ok 13593
188: ok 13594
188: ok 13595
188: ok 13596
188: ok 13597
188: ok 13598
188: ok 13599
188: ok 13600
188: ok 13601
188: ok 13602
188: ok 13603
188: ok 13604
188: ok 13605
188: ok 13606
188: ok 13607
188: ok 13608
188: ok 13609
188: ok 13610
188: ok 13611
188: ok 13612
188: ok 13613
188: ok 13614
188: ok 13615
188: ok 13616
188: ok 13617
188: ok 13618
188: ok 13619
188: ok 13620
188: ok 13621
188: ok 13622
188: ok 13623
188: ok 13624
188: ok 13625
188: ok 13626
188: ok 13627
188: ok 13628
188: ok 13629
188: ok 13630
188: ok 13631
188: ok 13632
188: ok 13633
188: ok 13634
188: ok 13635
188: ok 13636
188: ok 13637
188: ok 13638
188: ok 13639
188: ok 13640
188: ok 13641
188: ok 13642
188: ok 13643
188: ok 13644
188: ok 13645
188: ok 13646
188: ok 13647
188: ok 13648
188: ok 13649
188: ok 13650
188: ok 13651
188: ok 13652
188: ok 13653
188: ok 13654
188: ok 13655
188: ok 13656
188: ok 13657
188: ok 13658
188: ok 13659
188: ok 13660
188: ok 13661
188: ok 13662
188: ok 13663
188: ok 13664
188: ok 13665
188: ok 13666
188: ok 13667
188: ok 13668
188: ok 13669
188: ok 13670
188: ok 13671
188: ok 13672
188: ok 13673
188: ok 13674
188: ok 13675
188: ok 13676
188: ok 13677
188: ok 13678
188: ok 13679
188: ok 13680
188: ok 13681
188: ok 13682
188: ok 13683
188: ok 13684
188: ok 13685
188: ok 13686
188: ok 13687
188: ok 13688
188: ok 13689
188: ok 13690
188: ok 13691
188: ok 13692
188: ok 13693
188: ok 13694
188: ok 13695
188: ok 13696
188: ok 13697
188: ok 13698
188: ok 13699
188: ok 13700
188: ok 13701
188: ok 13702
188: ok 13703
188: ok 13704
188: ok 13705
188: ok 13706
188: ok 13707
188: ok 13708
188: ok 13709
188: ok 13710
188: ok 13711
188: ok 13712
188: ok 13713
188: ok 13714
188: ok 13715
188: ok 13716
188: ok 13717
188: ok 13718
188: ok 13719
188: ok 13720
188: ok 13721
188: ok 13722
188: ok 13723
188: ok 13724
188: ok 13725
188: ok 13726
188: ok 13727
188: ok 13728
188: ok 13729
188: ok 13730
188: ok 13731
188: ok 13732
188: ok 13733
188: ok 13734
188: ok 13735
188: ok 13736
188: ok 13737
188: ok 13738
188: ok 13739
188: ok 13740
188: ok 13741
188: ok 13742
188: ok 13743
188: ok 13744
188: ok 13745
188: ok 13746
188: ok 13747
188: ok 13748
188: ok 13749
188: ok 13750
188: ok 13751
188: ok 13752
188: ok 13753
188: ok 13754
188: ok 13755
188: ok 13756
188: ok 13757
188: ok 13758
188: ok 13759
188: ok 13760
188: ok 13761
188: ok 13762
188: ok 13763
188: ok 13764
188: ok 13765
188: ok 13766
188: ok 13767
188: ok 13768
188: ok 13769
188: ok 13770
188: ok 13771
188: ok 13772
188: ok 13773
188: ok 13774
188: ok 13775
188: ok 13776
188: ok 13777
188: ok 13778
188: ok 13779
188: ok 13780
188: ok 13781
188: ok 13782
188: ok 13783
188: ok 13784
188: ok 13785
188: ok 13786
188: ok 13787
188: ok 13788
188: ok 13789
188: ok 13790
188: ok 13791
188: ok 13792
188: ok 13793
188: ok 13794
188: ok 13795
188: ok 13796
188: ok 13797
188: ok 13798
188: ok 13799
188: ok 13800
188: ok 13801
188: ok 13802
188: ok 13803
188: ok 13804
188: ok 13805
188: ok 13806
188: ok 13807
188: ok 13808
188: ok 13809
188: ok 13810
188: ok 13811
188: ok 13812
188: ok 13813
188: ok 13814
188: ok 13815
188: ok 13816
188: ok 13817
188: ok 13818
188: ok 13819
188: ok 13820
188: ok 13821
188: ok 13822
188: ok 13823
188: ok 13824
188: ok 13825
188: ok 13826
188: ok 13827
188: ok 13828
188: ok 13829
188: ok 13830
188: ok 13831
188: ok 13832
188: ok 13833
188: ok 13834
188: ok 13835
188: ok 13836
188: ok 13837
188: ok 13838
188: ok 13839
188: ok 13840
188: ok 13841
188: ok 13842
188: ok 13843
188: ok 13844
188: ok 13845
188: ok 13846
188: ok 13847
188: ok 13848
188: ok 13849
188: ok 13850
188: ok 13851
188: ok 13852
188: ok 13853
188: ok 13854
188: ok 13855
188: ok 13856
188: ok 13857
188: ok 13858
188: ok 13859
188: ok 13860
188: ok 13861
188: ok 13862
188: ok 13863
188: ok 13864
188: ok 13865
188: ok 13866
188: ok 13867
188: ok 13868
188: ok 13869
188: ok 13870
188: ok 13871
188: ok 13872
188: ok 13873
188: ok 13874
188: ok 13875
188: ok 13876
188: ok 13877
188: ok 13878
188: ok 13879
188: ok 13880
188: ok 13881
188: ok 13882
188: ok 13883
188: ok 13884
188: ok 13885
188: ok 13886
188: ok 13887
188: ok 13888
188: ok 13889
188: ok 13890
188: ok 13891
188: ok 13892
188: ok 13893
188: ok 13894
188: ok 13895
188: ok 13896
188: ok 13897
188: ok 13898
188: ok 13899
188: ok 13900
188: ok 13901
188: ok 13902
188: ok 13903
188: ok 13904
188: ok 13905
188: ok 13906
188: ok 13907
188: ok 13908
188: ok 13909
188: ok 13910
188: ok 13911
188: ok 13912
188: ok 13913
188: ok 13914
188: ok 13915
188: ok 13916
188: ok 13917
188: ok 13918
188: ok 13919
188: ok 13920
188: ok 13921
188: ok 13922
188: ok 13923
188: ok 13924
188: ok 13925
188: ok 13926
188: ok 13927
188: ok 13928
188: ok 13929
188: ok 13930
188: ok 13931
188: ok 13932
188: ok 13933
188: ok 13934
188: ok 13935
188: ok 13936
188: ok 13937
188: ok 13938
188: ok 13939
188: ok 13940
188: ok 13941
188: ok 13942
188: ok 13943
188: ok 13944
188: ok 13945
188: ok 13946
188: ok 13947
188: ok 13948
188: ok 13949
188: ok 13950
188: ok 13951
188: ok 13952
188: ok 13953
188: ok 13954
188: ok 13955
188: ok 13956
188: ok 13957
188: ok 13958
188: ok 13959
188: ok 13960
188: ok 13961
188: ok 13962
188: ok 13963
188: ok 13964
188: ok 13965
188: ok 13966
188: ok 13967
188: ok 13968
188: ok 13969
188: ok 13970
188: ok 13971
188: ok 13972
188: ok 13973
188: ok 13974
188: ok 13975
188: ok 13976
188: ok 13977
188: ok 13978
188: ok 13979
188: ok 13980
188: ok 13981
188: ok 13982
188: ok 13983
188: ok 13984
188: ok 13985
188: ok 13986
188: ok 13987
188: ok 13988
188: ok 13989
188: ok 13990
188: ok 13991
188: ok 13992
188: ok 13993
188: ok 13994
188: ok 13995
188: ok 13996
188: ok 13997
188: ok 13998
188: ok 13999
188: ok 14000
188: ok 14001
188: ok 14002
188: ok 14003
188: ok 14004
188: ok 14005
188: ok 14006
188: ok 14007
188: ok 14008
188: ok 14009
188: ok 14010
188: ok 14011
188: ok 14012
188: ok 14013
188: ok 14014
188: ok 14015
188: ok 14016
188: ok 14017
188: ok 14018
188: ok 14019
188: ok 14020
188: ok 14021
188: ok 14022
188: ok 14023
188: ok 14024
188: ok 14025
188: ok 14026
188: ok 14027
188: ok 14028
188: ok 14029
188: ok 14030
188: ok 14031
188: ok 14032
188: ok 14033
188: ok 14034
188: ok 14035
188: ok 14036
188: ok 14037
188: ok 14038
188: ok 14039
188: ok 14040
188: ok 14041
188: ok 14042
188: ok 14043
188: ok 14044
188: ok 14045
188: ok 14046
188: ok 14047
188: ok 14048
188: ok 14049
188: ok 14050
188: ok 14051
188: ok 14052
188: ok 14053
188: ok 14054
188: ok 14055
188: ok 14056
188: ok 14057
188: ok 14058
188: ok 14059
188: ok 14060
188: ok 14061
188: ok 14062
188: ok 14063
188: ok 14064
188: ok 14065
188: ok 14066
188: ok 14067
188: ok 14068
188: ok 14069
188: ok 14070
188: ok 14071
188: ok 14072
188: ok 14073
188: ok 14074
188: ok 14075
188: ok 14076
188: ok 14077
188: ok 14078
188: ok 14079
188: ok 14080
188: ok 14081
188: ok 14082
188: ok 14083
188: ok 14084
188: ok 14085
188: ok 14086
188: ok 14087
188: ok 14088
188: ok 14089
188: ok 14090
188: ok 14091
188: ok 14092
188: ok 14093
188: ok 14094
188: ok 14095
188: ok 14096
188: ok 14097
188: ok 14098
188: ok 14099
188: ok 14100
188: ok 14101
188: ok 14102
188: ok 14103
188: ok 14104
188: ok 14105
188: ok 14106
188: ok 14107
188: ok 14108
188: ok 14109
188: ok 14110
188: ok 14111
188: ok 14112
188: ok 14113
188: ok 14114
188: ok 14115
188: ok 14116
188: ok 14117
188: ok 14118
188: ok 14119
188: ok 14120
188: ok 14121
188: ok 14122
188: ok 14123
188: ok 14124
188: ok 14125
188: ok 14126
188: ok 14127
188: ok 14128
188: ok 14129
188: ok 14130
188: ok 14131
188: ok 14132
188: ok 14133
188: ok 14134
188: ok 14135
188: ok 14136
188: ok 14137
188: ok 14138
188: ok 14139
188: ok 14140
188: ok 14141
188: ok 14142
188: ok 14143
188: ok 14144
188: ok 14145
188: ok 14146
188: ok 14147
188: ok 14148
188: ok 14149
188: ok 14150
188: ok 14151
188: ok 14152
188: ok 14153
188: ok 14154
188: ok 14155
188: ok 14156
188: ok 14157
188: ok 14158
188: ok 14159
188: ok 14160
188: ok 14161
188: ok 14162
188: ok 14163
188: ok 14164
188: ok 14165
188: ok 14166
188: ok 14167
188: ok 14168
188: ok 14169
188: ok 14170
188: ok 14171
188: ok 14172
188: ok 14173
188: ok 14174
188: ok 14175
188: ok 14176
188: ok 14177
188: ok 14178
188: ok 14179
188: ok 14180
188: ok 14181
188: ok 14182
188: ok 14183
188: ok 14184
188: ok 14185
188: ok 14186
188: ok 14187
188: ok 14188
188: ok 14189
188: ok 14190
188: ok 14191
188: ok 14192
188: ok 14193
188: ok 14194
188: ok 14195
188: ok 14196
188: ok 14197
188: ok 14198
188: ok 14199
188: ok 14200
188: ok 14201
188: ok 14202
188: ok 14203
188: ok 14204
188: ok 14205
188: ok 14206
188: ok 14207
188: ok 14208
188: ok 14209
188: ok 14210
188: ok 14211
188: ok 14212
188: ok 14213
188: ok 14214
188: ok 14215
188: ok 14216
188: ok 14217
188: ok 14218
188: ok 14219
188: ok 14220
188: ok 14221
188: ok 14222
188: ok 14223
188: ok 14224
188: ok 14225
188: ok 14226
188: ok 14227
188: ok 14228
188: ok 14229
188: ok 14230
188: ok 14231
188: ok 14232
188: ok 14233
188: ok 14234
188: ok 14235
188: ok 14236
188: ok 14237
188: ok 14238
188: ok 14239
188: ok 14240
188: ok 14241
188: ok 14242
188: ok 14243
188: ok 14244
188: ok 14245
188: ok 14246
188: ok 14247
188: ok 14248
188: ok 14249
188: ok 14250
188: ok 14251
188: ok 14252
188: ok 14253
188: ok 14254
188: ok 14255
188: ok 14256
188: ok 14257
188: ok 14258
188: ok 14259
188: ok 14260
188: ok 14261
188: ok 14262
188: ok 14263
188: ok 14264
188: ok 14265
188: ok 14266
188: ok 14267
188: ok 14268
188: ok 14269
188: ok 14270
188: ok 14271
188: ok 14272
188: ok 14273
188: ok 14274
188: ok 14275
188: ok 14276
188: ok 14277
188: ok 14278
188: ok 14279
188: ok 14280
188: ok 14281
188: ok 14282
188: ok 14283
188: ok 14284
188: ok 14285
188: ok 14286
188: ok 14287
188: ok 14288
188: ok 14289
188: ok 14290
188: ok 14291
188: ok 14292
188: ok 14293
188: ok 14294
188: ok 14295
188: ok 14296
188: ok 14297
188: ok 14298
188: ok 14299
188: ok 14300
188: ok 14301
188: ok 14302
188: ok 14303
188: ok 14304
188: ok 14305
188: ok 14306
188: ok 14307
188: ok 14308
188: ok 14309
188: ok 14310
188: ok 14311
188: ok 14312
188: ok 14313
188: ok 14314
188: ok 14315
188: ok 14316
188: ok 14317
188: ok 14318
188: ok 14319
188: ok 14320
188: ok 14321
188: ok 14322
188: ok 14323
188: ok 14324
188: ok 14325
188: ok 14326
188: ok 14327
188: ok 14328
188: ok 14329
188: ok 14330
188: ok 14331
188: ok 14332
188: ok 14333
188: ok 14334
188: ok 14335
188: ok 14336
188: ok 14337
188: ok 14338
188: ok 14339
188: ok 14340
188: ok 14341
188: ok 14342
188: ok 14343
188: ok 14344
188: ok 14345
188: ok 14346
188: ok 14347
188: ok 14348
188: ok 14349
188: ok 14350
188: ok 14351
188: ok 14352
188: ok 14353
188: ok 14354
188: ok 14355
188: ok 14356
188: ok 14357
188: ok 14358
188: ok 14359
188: ok 14360
188: ok 14361
188: ok 14362
188: ok 14363
188: ok 14364
188: ok 14365
188: ok 14366
188: ok 14367
188: ok 14368
188: ok 14369
188: ok 14370
188: ok 14371
188: ok 14372
188: ok 14373
188: ok 14374
188: ok 14375
188: ok 14376
188: ok 14377
188: ok 14378
188: ok 14379
188: ok 14380
188: ok 14381
188: ok 14382
188: ok 14383
188: ok 14384
188: ok 14385
188: ok 14386
188: ok 14387
188: ok 14388
188: ok 14389
188: ok 14390
188: ok 14391
188: ok 14392
188: ok 14393
188: ok 14394
188: ok 14395
188: ok 14396
188: ok 14397
188: ok 14398
188: ok 14399
188: ok 14400
188: ok 14401
188: ok 14402
188: ok 14403
188: ok 14404
188: ok 14405
188: ok 14406
188: ok 14407
188: ok 14408
188: ok 14409
188: ok 14410
188: ok 14411
188: ok 14412
188: ok 14413
188: ok 14414
188: ok 14415
188: ok 14416
188: ok 14417
188: ok 14418
188: ok 14419
188: ok 14420
188: ok 14421
188: ok 14422
188: ok 14423
188: ok 14424
188: ok 14425
188: ok 14426
188: ok 14427
188: ok 14428
188: ok 14429
188: ok 14430
188: ok 14431
188: ok 14432
188: ok 14433
188: ok 14434
188: ok 14435
188: ok 14436
188: ok 14437
188: ok 14438
188: ok 14439
188: ok 14440
188: ok 14441
188: ok 14442
188: ok 14443
188: ok 14444
188: ok 14445
188: ok 14446
188: ok 14447
188: ok 14448
188: ok 14449
188: ok 14450
188: ok 14451
188: ok 14452
188: ok 14453
188: ok 14454
188: ok 14455
188: ok 14456
188: ok 14457
188: ok 14458
188: ok 14459
188: ok 14460
188: ok 14461
188: ok 14462
188: ok 14463
188: ok 14464
188: ok 14465
188: ok 14466
188: ok 14467
188: ok 14468
188: ok 14469
188: ok 14470
188: ok 14471
188: ok 14472
188: ok 14473
188: ok 14474
188: ok 14475
188: ok 14476
188: ok 14477
188: ok 14478
188: ok 14479
188: ok 14480
188: ok 14481
188: ok 14482
188: ok 14483
188: ok 14484
188: ok 14485
188: ok 14486
188: ok 14487
188: ok 14488
188: ok 14489
188: ok 14490
188: ok 14491
188: ok 14492
188: ok 14493
188: ok 14494
188: ok 14495
188: ok 14496
188: ok 14497
188: ok 14498
188: ok 14499
188: ok 14500
188: ok 14501
188: ok 14502
188: ok 14503
188: ok 14504
188: ok 14505
188: ok 14506
188: ok 14507
188: ok 14508
188: ok 14509
188: ok 14510
188: ok 14511
188: ok 14512
188: ok 14513
188: ok 14514
188: ok 14515
188: ok 14516
188: ok 14517
188: ok 14518
188: ok 14519
188: ok 14520
188: ok 14521
188: ok 14522
188: ok 14523
188: ok 14524
188: ok 14525
188: ok 14526
188: ok 14527
188: ok 14528
188: ok 14529
188: ok 14530
188: ok 14531
188: ok 14532
188: ok 14533
188: ok 14534
188: ok 14535
188: ok 14536
188: ok 14537
188: ok 14538
188: ok 14539
188: ok 14540
188: ok 14541
188: ok 14542
188: ok 14543
188: ok 14544
188: ok 14545
188: ok 14546
188: ok 14547
188: ok 14548
188: ok 14549
188: ok 14550
188: ok 14551
188: ok 14552
188: ok 14553
188: ok 14554
188: ok 14555
188: ok 14556
188: ok 14557
188: ok 14558
188: ok 14559
188: ok 14560
188: ok 14561
188: ok 14562
188: ok 14563
188: ok 14564
188: ok 14565
188: ok 14566
188: ok 14567
188: ok 14568
188: ok 14569
188: ok 14570
188: ok 14571
188: ok 14572
188: ok 14573
188: ok 14574
188: ok 14575
188: ok 14576
188: ok 14577
188: ok 14578
188: ok 14579
188: ok 14580
188: ok 14581
188: ok 14582
188: ok 14583
188: ok 14584
188: ok 14585
188: ok 14586
188: ok 14587
188: ok 14588
188: ok 14589
188: ok 14590
188: ok 14591
188: ok 14592
188: ok 14593
188: ok 14594
188: ok 14595
188: ok 14596
188: ok 14597
188: ok 14598
188: ok 14599
188: ok 14600
188: ok 14601
188: ok 14602
188: ok 14603
188: ok 14604
188: ok 14605
188: ok 14606
188: ok 14607
188: ok 14608
188: ok 14609
188: ok 14610
188: ok 14611
188: ok 14612
188: ok 14613
188: ok 14614
188: ok 14615
188: ok 14616
188: ok 14617
188: ok 14618
188: ok 14619
188: ok 14620
188: ok 14621
188: ok 14622
188: ok 14623
188: ok 14624
188: ok 14625
188: ok 14626
188: ok 14627
188: ok 14628
188: ok 14629
188: ok 14630
188: ok 14631
188: ok 14632
188: ok 14633
188: ok 14634
188: ok 14635
188: ok 14636
188: ok 14637
188: ok 14638
188: ok 14639
188: ok 14640
188: ok 14641
188: ok 14642
188: ok 14643
188: ok 14644
188: ok 14645
188: ok 14646
188: ok 14647
188: ok 14648
188: ok 14649
188: ok 14650
188: ok 14651
188: ok 14652
188: ok 14653
188: ok 14654
188: ok 14655
188: ok 14656
188: ok 14657
188: ok 14658
188: ok 14659
188: ok 14660
188: ok 14661
188: ok 14662
188: ok 14663
188: ok 14664
188: ok 14665
188: ok 14666
188: ok 14667
188: ok 14668
188: ok 14669
188: ok 14670
188: ok 14671
188: ok 14672
188: ok 14673
188: ok 14674
188: ok 14675
188: ok 14676
188: ok 14677
188: ok 14678
188: ok 14679
188: ok 14680
188: ok 14681
188: ok 14682
188: ok 14683
188: ok 14684
188: ok 14685
188: ok 14686
188: ok 14687
188: ok 14688
188: ok 14689
188: ok 14690
188: ok 14691
188: ok 14692
188: ok 14693
188: ok 14694
188: ok 14695
188: ok 14696
188: ok 14697
188: ok 14698
188: ok 14699
188: ok 14700
188: ok 14701
188: ok 14702
188: ok 14703
188: ok 14704
188: ok 14705
188: ok 14706
188: ok 14707
188: ok 14708
188: ok 14709
188: ok 14710
188: ok 14711
188: ok 14712
188: ok 14713
188: ok 14714
188: ok 14715
188: ok 14716
188: ok 14717
188: ok 14718
188: ok 14719
188: ok 14720
188: ok 14721
188: ok 14722
188: ok 14723
188: ok 14724
188: ok 14725
188: ok 14726
188: ok 14727
188: ok 14728
188: ok 14729
188: ok 14730
188: ok 14731
188: ok 14732
188: ok 14733
188: ok 14734
188: ok 14735
188: ok 14736
188: ok 14737
188: ok 14738
188: ok 14739
188: ok 14740
188: ok 14741
188: ok 14742
188: ok 14743
188: ok 14744
188: ok 14745
188: ok 14746
188: ok 14747
188: ok 14748
188: ok 14749
188: ok 14750
188: ok 14751
188: ok 14752
188: ok 14753
188: ok 14754
188: ok 14755
188: ok 14756
188: ok 14757
188: ok 14758
188: ok 14759
188: ok 14760
188: ok 14761
188: ok 14762
188: ok 14763
188: ok 14764
188: ok 14765
188: ok 14766
188: ok 14767
188: ok 14768
188: ok 14769
188: ok 14770
188: ok 14771
188: ok 14772
188: ok 14773
188: ok 14774
188: ok 14775
188: ok 14776
188: ok 14777
188: ok 14778
188: ok 14779
188: ok 14780
188: ok 14781
188: ok 14782
188: ok 14783
188: ok 14784
188: ok 14785
188: ok 14786
188: ok 14787
188: ok 14788
188: ok 14789
188: ok 14790
188: ok 14791
188: ok 14792
188: ok 14793
188: ok 14794
188: ok 14795
188: ok 14796
188: ok 14797
188: ok 14798
188: ok 14799
188: ok 14800
188: ok 14801
188: ok 14802
188: ok 14803
188: ok 14804
188: ok 14805
188: ok 14806
188: ok 14807
188: ok 14808
188: ok 14809
188: ok 14810
188: ok 14811
188: ok 14812
188: ok 14813
188: ok 14814
188: ok 14815
188: ok 14816
188: ok 14817
188: ok 14818
188: ok 14819
188: ok 14820
188: ok 14821
188: ok 14822
188: ok 14823
188: ok 14824
188: ok 14825
188: ok 14826
188: ok 14827
188: ok 14828
188: ok 14829
188: ok 14830
188: ok 14831
188: ok 14832
188: ok 14833
188: ok 14834
188: ok 14835
188: ok 14836
188: ok 14837
188: ok 14838
188: ok 14839
188: ok 14840
188: ok 14841
188: ok 14842
188: ok 14843
188: ok 14844
188: ok 14845
188: ok 14846
188: ok 14847
188: ok 14848
188: ok 14849
188: ok 14850
188: ok 14851
188: ok 14852
188: ok 14853
188: ok 14854
188: ok 14855
188: ok 14856
188: ok 14857
188: ok 14858
188: ok 14859
188: ok 14860
188: ok 14861
188: ok 14862
188: ok 14863
188: ok 14864
188: ok 14865
188: ok 14866
188: ok 14867
188: ok 14868
188: ok 14869
188: ok 14870
188: ok 14871
188: ok 14872
188: ok 14873
188: ok 14874
188: ok 14875
188: ok 14876
188: ok 14877
188: ok 14878
188: ok 14879
188: ok 14880
188: ok 14881
188: ok 14882
188: ok 14883
188: ok 14884
188: ok 14885
188: ok 14886
188: ok 14887
188: ok 14888
188: ok 14889
188: ok 14890
188: ok 14891
188: ok 14892
188: ok 14893
188: ok 14894
188: ok 14895
188: ok 14896
188: ok 14897
188: ok 14898
188: ok 14899
188: ok 14900
188: ok 14901
188: ok 14902
188: ok 14903
188: ok 14904
188: ok 14905
188: ok 14906
188: ok 14907
188: ok 14908
188: ok 14909
188: ok 14910
188: ok 14911
188: ok 14912
188: ok 14913
188: ok 14914
188: ok 14915
188: ok 14916
188: ok 14917
188: ok 14918
188: ok 14919
188: ok 14920
188: ok 14921
188: ok 14922
188: ok 14923
188: ok 14924
188: ok 14925
188: ok 14926
188: ok 14927
188: ok 14928
188: ok 14929
188: ok 14930
188: ok 14931
188: ok 14932
188: ok 14933
188: ok 14934
188: ok 14935
188: ok 14936
188: ok 14937
188: ok 14938
188: ok 14939
188: ok 14940
188: ok 14941
188: ok 14942
188: ok 14943
188: ok 14944
188: ok 14945
188: ok 14946
188: ok 14947
188: ok 14948
188: ok 14949
188: ok 14950
188: ok 14951
188: ok 14952
188: ok 14953
188: ok 14954
188: ok 14955
188: ok 14956
188: ok 14957
188: ok 14958
188: ok 14959
188: ok 14960
188: ok 14961
188: ok 14962
188: ok 14963
188: ok 14964
188: ok 14965
188: ok 14966
188: ok 14967
188: ok 14968
188: ok 14969
188: ok 14970
188: ok 14971
188: ok 14972
188: ok 14973
188: ok 14974
188: ok 14975
188: ok 14976
188: ok 14977
188: ok 14978
188: ok 14979
188: ok 14980
188: ok 14981
188: ok 14982
188: ok 14983
188: ok 14984
188: ok 14985
188: ok 14986
188: ok 14987
188: ok 14988
188: ok 14989
188: ok 14990
188: ok 14991
188: ok 14992
188: ok 14993
188: ok 14994
188: ok 14995
188: ok 14996
188: ok 14997
188: ok 14998
188: ok 14999
188: ok 15000
188: # math: passed testBasics_vector3
188: # math: entering testBasics_matrix3x3
189: ok 7819
189: ok 7820
189: ok 7821
189: ok 7822
189: ok 7823
189: ok 7824
189: ok 7825
189: ok 7826
189: ok 7827
189: ok 7828
189: ok 7829
189: ok 7830
189: ok 7831
189: ok 7832
189: ok 7833
189: ok 7834
189: ok 7835
189: ok 7836
189: ok 7837
189: ok 7838
189: ok 7839
189: ok 7840
189: ok 7841
189: ok 7842
189: ok 7843
189: ok 7844
189: ok 7845
189: ok 7846
189: ok 7847
189: ok 7848
189: ok 7849
189: ok 7850
189: ok 7851
189: ok 7852
189: ok 7853
189: ok 7854
189: ok 7855
189: ok 7856
189: ok 7857
189: ok 7858
189: ok 7859
189: ok 7860
189: ok 7861
189: ok 7862
189: ok 7863
189: ok 7864
189: ok 7865
189: ok 7866
189: ok 7867
189: ok 7868
189: ok 7869
189: ok 7870
189: ok 7871
189: ok 7872
189: ok 7873
189: ok 7874
189: ok 7875
189: ok 7876
189: ok 7877
189: ok 7878
189: ok 7879
189: ok 7880
189: ok 7881
189: ok 7882
189: ok 7883
189: ok 7884
189: ok 7885
189: ok 7886
189: ok 7887
189: ok 7888
189: ok 7889
189: ok 7890
189: ok 7891
189: ok 7892
189: ok 7893
189: ok 7894
189: ok 7895
189: ok 7896
189: ok 7897
189: ok 7898
189: ok 7899
189: ok 7900
189: ok 7901
189: ok 7902
189: ok 7903
189: ok 7904
189: ok 7905
189: ok 7906
189: ok 7907
189: ok 7908
189: ok 7909
189: ok 7910
189: ok 7911
189: ok 7912
189: ok 7913
189: ok 7914
189: ok 7915
189: ok 7916
189: ok 7917
189: ok 7918
189: ok 7919
189: ok 7920
189: ok 7921
189: ok 7922
189: ok 7923
189: ok 7924
189: ok 7925
189: ok 7926
189: ok 7927
189: ok 7928
189: ok 7929
189: ok 7930
189: ok 7931
189: ok 7932
189: ok 7933
189: ok 7934
189: ok 7935
189: ok 7936
189: ok 7937
189: ok 7938
189: ok 7939
189: ok 7940
189: ok 7941
189: ok 7942
189: ok 7943
189: ok 7944
189: ok 7945
189: ok 7946
189: ok 7947
189: ok 7948
189: ok 7949
189: ok 7950
189: ok 7951
189: ok 7952
189: ok 7953
189: ok 7954
189: ok 7955
189: ok 7956
189: ok 7957
189: ok 7958
189: ok 7959
189: ok 7960
189: ok 7961
189: ok 7962
189: ok 7963
189: ok 7964
189: ok 7965
189: ok 7966
189: ok 7967
189: ok 7968
189: ok 7969
189: ok 7970
189: ok 7971
189: ok 7972
189: ok 7973
189: ok 7974
189: ok 7975
189: ok 7976
189: ok 7977
189: ok 7978
189: ok 7979
189: ok 7980
189: ok 7981
189: ok 7982
189: ok 7983
189: ok 7984
189: ok 7985
189: ok 7986
189: ok 7987
189: ok 7988
189: ok 7989
189: ok 7990
189: ok 7991
189: ok 7992
189: ok 7993
189: ok 7994
189: ok 7995
189: ok 7996
189: ok 7997
189: ok 7998
189: ok 7999
189: ok 8000
189: ok 8001
189: ok 8002
189: ok 8003
189: ok 8004
189: ok 8005
189: ok 8006
189: ok 8007
189: ok 8008
189: ok 8009
189: ok 8010
189: ok 8011
189: ok 8012
189: ok 8013
189: ok 8014
189: ok 8015
189: ok 8016
189: ok 8017
189: ok 8018
189: ok 8019
189: ok 8020
189: ok 8021
189: ok 8022
189: ok 8023
189: ok 8024
189: ok 8025
189: ok 8026
189: ok 8027
189: ok 8028
189: ok 8029
189: ok 8030
189: ok 8031
189: ok 8032
189: ok 8033
189: ok 8034
189: ok 8035
189: ok 8036
189: ok 8037
189: ok 8038
189: ok 8039
189: ok 8040
189: ok 8041
189: ok 8042
189: ok 8043
189: ok 8044
189: ok 8045
189: ok 8046
189: ok 8047
189: ok 8048
189: ok 8049
189: ok 8050
189: ok 8051
189: ok 8052
189: ok 8053
189: ok 8054
189: ok 8055
189: ok 8056
189: ok 8057
189: ok 8058
189: ok 8059
189: ok 8060
189: ok 8061
189: ok 8062
189: ok 8063
189: ok 8064
189: ok 8065
189: ok 8066
189: ok 8067
189: ok 8068
189: ok 8069
189: ok 8070
189: ok 8071
189: ok 8072
189: ok 8073
189: ok 8074
189: ok 8075
189: ok 8076
189: ok 8077
189: ok 8078
189: ok 8079
189: ok 8080
189: ok 8081
189: ok 8082
189: ok 8083
189: ok 8084
189: ok 8085
189: ok 8086
189: ok 8087
189: ok 8088
189: ok 8089
189: ok 8090
189: ok 8091
189: ok 8092
189: ok 8093
189: ok 8094
189: ok 8095
189: ok 8096
189: ok 8097
189: ok 8098
189: ok 8099
189: ok 8100
189: ok 8101
189: ok 8102
189: ok 8103
189: ok 8104
189: ok 8105
189: ok 8106
189: ok 8107
189: ok 8108
189: ok 8109
189: ok 8110
189: ok 8111
189: ok 8112
189: ok 8113
189: ok 8114
189: ok 8115
189: ok 8116
189: ok 8117
189: ok 8118
189: ok 8119
189: ok 8120
189: ok 8121
189: ok 8122
189: ok 8123
189: ok 8124
189: ok 8125
189: ok 8126
189: ok 8127
189: ok 8128
189: ok 8129
189: ok 8130
189: ok 8131
189: ok 8132
189: ok 8133
189: ok 8134
189: ok 8135
189: ok 8136
189: ok 8137
189: ok 8138
189: ok 8139
189: ok 8140
189: ok 8141
189: ok 8142
189: ok 8143
189: ok 8144
189: ok 8145
189: ok 8146
189: ok 8147
189: ok 8148
189: ok 8149
189: ok 8150
189: ok 8151
189: ok 8152
189: ok 8153
189: ok 8154
189: ok 8155
189: ok 8156
189: ok 8157
189: ok 8158
189: ok 8159
189: ok 8160
189: ok 8161
189: ok 8162
189: ok 8163
189: ok 8164
189: ok 8165
189: ok 8166
189: ok 8167
189: ok 8168
189: ok 8169
189: ok 8170
189: ok 8171
189: ok 8172
189: ok 8173
189: ok 8174
189: ok 8175
189: ok 8176
189: ok 8177
189: ok 8178
189: ok 8179
189: ok 8180
189: ok 8181
189: ok 8182
189: ok 8183
189: ok 8184
189: ok 8185
189: ok 8186
189: ok 8187
189: ok 8188
189: ok 8189
189: ok 8190
189: ok 8191
189: ok 8192
189: ok 8193
189: ok 8194
189: ok 8195
189: ok 8196
189: ok 8197
189: ok 8198
189: ok 8199
189: ok 8200
189: ok 8201
189: ok 8202
189: ok 8203
189: ok 8204
189: ok 8205
189: ok 8206
189: ok 8207
189: ok 8208
189: ok 8209
189: ok 8210
189: ok 8211
189: ok 8212
189: ok 8213
189: ok 8214
189: ok 8215
189: ok 8216
189: ok 8217
189: ok 8218
189: ok 8219
189: ok 8220
189: ok 8221
189: ok 8222
189: ok 8223
189: ok 8224
189: ok 8225
189: ok 8226
189: ok 8227
189: ok 8228
189: ok 8229
189: ok 8230
189: ok 8231
189: ok 8232
189: ok 8233
189: ok 8234
189: ok 8235
189: ok 8236
189: ok 8237
189: ok 8238
189: ok 8239
189: ok 8240
189: ok 8241
189: ok 8242
189: ok 8243
189: ok 8244
189: ok 8245
189: ok 8246
189: ok 8247
189: ok 8248
189: ok 8249
189: ok 8250
189: ok 8251
189: ok 8252
189: ok 8253
189: ok 8254
189: ok 8255
189: ok 8256
189: ok 8257
189: ok 8258
189: ok 8259
189: ok 8260
189: ok 8261
189: ok 8262
189: ok 8263
189: ok 8264
189: ok 8265
189: ok 8266
189: ok 8267
189: ok 8268
189: ok 8269
189: ok 8270
189: ok 8271
189: ok 8272
189: ok 8273
189: ok 8274
189: ok 8275
189: ok 8276
189: ok 8277
189: ok 8278
189: ok 8279
189: ok 8280
189: ok 8281
189: ok 8282
189: ok 8283
189: ok 8284
189: ok 8285
189: ok 8286
189: ok 8287
189: ok 8288
189: ok 8289
189: ok 8290
189: ok 8291
189: ok 8292
189: ok 8293
189: ok 8294
189: ok 8295
189: ok 8296
189: ok 8297
189: ok 8298
189: ok 8299
189: ok 8300
189: ok 8301
189: ok 8302
189: ok 8303
189: ok 8304
189: ok 8305
189: ok 8306
189: ok 8307
189: ok 8308
189: ok 8309
189: ok 8310
189: ok 8311
189: ok 8312
189: ok 8313
189: ok 8314
189: ok 8315
189: ok 8316
189: ok 8317
189: ok 8318
189: ok 8319
189: ok 8320
189: ok 8321
189: ok 8322
189: ok 8323
189: ok 8324
189: ok 8325
189: ok 8326
189: ok 8327
189: ok 8328
189: ok 8329
189: ok 8330
189: ok 8331
189: ok 8332
189: ok 8333
189: ok 8334
189: ok 8335
189: ok 8336
189: ok 8337
189: ok 8338
189: ok 8339
189: ok 8340
189: ok 8341
189: ok 8342
189: ok 8343
189: ok 8344
189: ok 8345
189: ok 8346
189: ok 8347
189: ok 8348
189: ok 8349
189: ok 8350
189: ok 8351
189: ok 8352
189: ok 8353
189: ok 8354
189: ok 8355
189: ok 8356
189: ok 8357
189: ok 8358
189: ok 8359
189: ok 8360
189: ok 8361
189: ok 8362
189: ok 8363
189: ok 8364
189: ok 8365
189: ok 8366
189: ok 8367
189: ok 8368
189: ok 8369
189: ok 8370
189: ok 8371
189: ok 8372
189: ok 8373
189: ok 8374
189: ok 8375
189: ok 8376
189: ok 8377
189: ok 8378
189: ok 8379
189: ok 8380
189: ok 8381
189: ok 8382
189: ok 8383
189: ok 8384
189: ok 8385
189: ok 8386
189: ok 8387
189: ok 8388
189: ok 8389
189: ok 8390
189: ok 8391
189: ok 8392
189: ok 8393
189: ok 8394
189: ok 8395
189: ok 8396
189: ok 8397
189: ok 8398
189: ok 8399
189: ok 8400
189: ok 8401
189: ok 8402
189: ok 8403
189: ok 8404
189: ok 8405
189: ok 8406
189: ok 8407
189: ok 8408
189: ok 8409
189: ok 8410
189: ok 8411
189: ok 8412
189: ok 8413
189: ok 8414
189: ok 8415
189: ok 8416
189: ok 8417
189: ok 8418
189: ok 8419
189: ok 8420
189: ok 8421
189: ok 8422
189: ok 8423
189: ok 8424
189: ok 8425
189: ok 8426
189: ok 8427
189: ok 8428
189: ok 8429
189: ok 8430
189: ok 8431
189: ok 8432
189: ok 8433
189: ok 8434
189: ok 8435
189: ok 8436
189: ok 8437
189: ok 8438
189: ok 8439
189: ok 8440
189: ok 8441
189: ok 8442
189: ok 8443
189: ok 8444
189: ok 8445
189: ok 8446
189: ok 8447
189: ok 8448
189: ok 8449
189: ok 8450
189: ok 8451
189: ok 8452
189: ok 8453
189: ok 8454
189: ok 8455
189: ok 8456
189: ok 8457
189: ok 8458
189: ok 8459
189: ok 8460
189: ok 8461
189: ok 8462
189: ok 8463
189: ok 8464
189: ok 8465
189: ok 8466
189: ok 8467
189: ok 8468
189: ok 8469
189: ok 8470
189: ok 8471
189: ok 8472
189: ok 8473
189: ok 8474
189: ok 8475
189: ok 8476
189: ok 8477
189: ok 8478
189: ok 8479
189: ok 8480
189: ok 8481
189: ok 8482
189: ok 8483
189: ok 8484
189: ok 8485
189: ok 8486
189: ok 8487
189: ok 8488
189: ok 8489
189: ok 8490
189: ok 8491
189: ok 8492
189: ok 8493
189: ok 8494
189: ok 8495
189: ok 8496
189: ok 8497
189: ok 8498
189: ok 8499
189: ok 8500
189: ok 8501
189: ok 8502
189: ok 8503
189: ok 8504
189: ok 8505
189: ok 8506
189: ok 8507
189: ok 8508
189: ok 8509
189: ok 8510
189: ok 8511
189: ok 8512
189: ok 8513
189: ok 8514
189: ok 8515
189: ok 8516
189: ok 8517
189: ok 8518
189: ok 8519
189: ok 8520
189: ok 8521
189: ok 8522
189: ok 8523
189: ok 8524
189: ok 8525
189: ok 8526
189: ok 8527
189: ok 8528
189: ok 8529
189: ok 8530
189: ok 8531
189: ok 8532
189: ok 8533
189: ok 8534
189: ok 8535
189: ok 8536
189: ok 8537
189: ok 8538
189: ok 8539
189: ok 8540
189: ok 8541
189: ok 8542
189: ok 8543
189: ok 8544
189: ok 8545
189: ok 8546
189: ok 8547
189: ok 8548
189: ok 8549
189: ok 8550
189: ok 8551
189: ok 8552
189: ok 8553
189: ok 8554
189: ok 8555
189: ok 8556
189: ok 8557
189: ok 8558
189: ok 8559
189: ok 8560
189: ok 8561
189: ok 8562
189: ok 8563
189: ok 8564
189: ok 8565
189: ok 8566
189: ok 8567
189: ok 8568
189: ok 8569
189: ok 8570
189: ok 8571
189: ok 8572
189: ok 8573
189: ok 8574
189: ok 8575
189: ok 8576
189: ok 8577
189: ok 8578
189: ok 8579
189: ok 8580
189: ok 8581
189: ok 8582
189: ok 8583
189: ok 8584
189: ok 8585
189: ok 8586
189: ok 8587
189: ok 8588
189: ok 8589
189: ok 8590
189: ok 8591
189: ok 8592
189: ok 8593
189: ok 8594
189: ok 8595
189: ok 8596
189: ok 8597
189: ok 8598
189: ok 8599
189: ok 8600
189: ok 8601
189: ok 8602
189: ok 8603
189: ok 8604
189: ok 8605
189: ok 8606
189: ok 8607
189: ok 8608
189: ok 8609
189: ok 8610
189: ok 8611
189: ok 8612
189: ok 8613
189: ok 8614
189: ok 8615
189: ok 8616
189: ok 8617
189: ok 8618
189: ok 8619
189: ok 8620
189: ok 8621
189: ok 8622
189: ok 8623
189: ok 8624
189: ok 8625
189: ok 8626
189: ok 8627
189: ok 8628
189: ok 8629
189: ok 8630
189: ok 8631
189: ok 8632
189: ok 8633
189: ok 8634
189: ok 8635
189: ok 8636
189: ok 8637
189: ok 8638
189: ok 8639
189: ok 8640
189: ok 8641
189: ok 8642
189: ok 8643
189: ok 8644
189: ok 8645
189: ok 8646
189: ok 8647
189: ok 8648
189: ok 8649
189: ok 8650
189: ok 8651
189: ok 8652
189: ok 8653
189: ok 8654
189: ok 8655
189: ok 8656
189: ok 8657
189: ok 8658
189: ok 8659
189: ok 8660
189: ok 8661
189: ok 8662
189: ok 8663
189: ok 8664
189: ok 8665
189: ok 8666
189: ok 8667
189: ok 8668
189: ok 8669
189: ok 8670
189: ok 8671
189: ok 8672
189: ok 8673
189: ok 8674
189: ok 8675
189: ok 8676
189: ok 8677
189: ok 8678
189: ok 8679
189: ok 8680
189: ok 8681
189: ok 8682
189: ok 8683
189: ok 8684
189: ok 8685
189: ok 8686
189: ok 8687
189: ok 8688
189: ok 8689
189: ok 8690
189: ok 8691
189: ok 8692
189: ok 8693
189: ok 8694
189: ok 8695
189: ok 8696
189: ok 8697
189: ok 8698
189: ok 8699
189: ok 8700
189: ok 8701
189: ok 8702
189: ok 8703
189: ok 8704
189: ok 8705
189: ok 8706
189: ok 8707
189: ok 8708
189: ok 8709
189: ok 8710
189: ok 8711
189: ok 8712
189: ok 8713
189: ok 8714
189: ok 8715
189: ok 8716
189: ok 8717
189: ok 8718
189: ok 8719
189: ok 8720
189: ok 8721
189: ok 8722
189: ok 8723
189: ok 8724
189: ok 8725
189: ok 8726
189: ok 8727
189: ok 8728
189: ok 8729
189: ok 8730
189: ok 8731
189: ok 8732
189: ok 8733
189: ok 8734
189: ok 8735
189: ok 8736
189: ok 8737
189: ok 8738
189: ok 8739
189: ok 8740
189: ok 8741
189: ok 8742
189: ok 8743
189: ok 8744
189: ok 8745
189: ok 8746
189: ok 8747
189: ok 8748
189: ok 8749
189: ok 8750
189: ok 8751
189: ok 8752
189: ok 8753
189: ok 8754
189: ok 8755
189: ok 8756
189: ok 8757
189: ok 8758
189: ok 8759
189: ok 8760
189: ok 8761
189: ok 8762
189: ok 8763
189: ok 8764
189: ok 8765
189: ok 8766
189: ok 8767
189: ok 8768
189: ok 8769
189: ok 8770
189: ok 8771
189: ok 8772
189: ok 8773
189: ok 8774
189: ok 8775
189: ok 8776
189: ok 8777
189: ok 8778
189: ok 8779
189: ok 8780
189: ok 8781
189: ok 8782
189: ok 8783
189: ok 8784
189: ok 8785
189: ok 8786
189: ok 8787
189: ok 8788
189: ok 8789
189: ok 8790
189: ok 8791
189: ok 8792
189: ok 8793
189: ok 8794
189: ok 8795
189: ok 8796
189: ok 8797
189: ok 8798
189: ok 8799
189: ok 8800
189: ok 8801
189: ok 8802
189: ok 8803
189: ok 8804
189: ok 8805
189: ok 8806
189: ok 8807
189: ok 8808
189: ok 8809
189: ok 8810
189: ok 8811
189: ok 8812
189: ok 8813
189: ok 8814
189: ok 8815
189: ok 8816
189: ok 8817
189: ok 8818
189: ok 8819
189: ok 8820
189: ok 8821
189: ok 8822
189: ok 8823
189: ok 8824
189: ok 8825
189: ok 8826
189: ok 8827
189: ok 8828
189: ok 8829
189: ok 8830
189: ok 8831
189: ok 8832
189: ok 8833
189: ok 8834
189: ok 8835
189: ok 8836
189: ok 8837
189: ok 8838
189: ok 8839
189: ok 8840
189: ok 8841
189: ok 8842
189: ok 8843
189: ok 8844
189: ok 8845
189: ok 8846
189: ok 8847
189: ok 8848
189: ok 8849
189: ok 8850
189: ok 8851
189: ok 8852
189: ok 8853
189: ok 8854
189: ok 8855
189: ok 8856
189: ok 8857
189: ok 8858
189: ok 8859
189: ok 8860
189: ok 8861
189: ok 8862
189: ok 8863
189: ok 8864
189: ok 8865
189: ok 8866
189: ok 8867
189: ok 8868
189: ok 8869
189: ok 8870
189: ok 8871
189: ok 8872
189: ok 8873
189: ok 8874
189: ok 8875
189: ok 8876
189: ok 8877
189: ok 8878
189: ok 8879
189: ok 8880
189: ok 8881
189: ok 8882
189: ok 8883
189: ok 8884
189: ok 8885
189: ok 8886
189: ok 8887
189: ok 8888
189: ok 8889
189: ok 8890
189: ok 8891
189: ok 8892
189: ok 8893
189: ok 8894
189: ok 8895
189: ok 8896
189: ok 8897
189: ok 8898
189: ok 8899
189: ok 8900
189: ok 8901
189: ok 8902
189: ok 8903
189: ok 8904
189: ok 8905
189: ok 8906
189: ok 8907
189: ok 8908
189: ok 8909
189: ok 8910
189: ok 8911
189: ok 8912
189: ok 8913
189: ok 8914
189: ok 8915
189: ok 8916
189: ok 8917
189: ok 8918
189: ok 8919
189: ok 8920
189: ok 8921
189: ok 8922
189: ok 8923
189: ok 8924
189: ok 8925
189: ok 8926
189: ok 8927
189: ok 8928
189: ok 8929
189: ok 8930
189: ok 8931
189: ok 8932
189: ok 8933
189: ok 8934
189: ok 8935
189: ok 8936
189: ok 8937
189: ok 8938
189: ok 8939
189: ok 8940
189: ok 8941
189: ok 8942
189: ok 8943
189: ok 8944
189: ok 8945
189: ok 8946
189: ok 8947
189: ok 8948
189: ok 8949
189: ok 8950
189: ok 8951
189: ok 8952
189: ok 8953
189: ok 8954
189: ok 8955
189: ok 8956
189: ok 8957
189: ok 8958
189: ok 8959
189: ok 8960
189: ok 8961
189: ok 8962
189: ok 8963
189: ok 8964
189: ok 8965
189: ok 8966
189: ok 8967
189: ok 8968
189: ok 8969
189: ok 8970
189: ok 8971
189: ok 8972
189: ok 8973
189: ok 8974
189: ok 8975
189: ok 8976
189: ok 8977
189: ok 8978
189: ok 8979
189: ok 8980
189: ok 8981
189: ok 8982
189: ok 8983
189: ok 8984
189: ok 8985
189: ok 8986
189: ok 8987
189: ok 8988
189: ok 8989
189: ok 8990
189: ok 8991
189: ok 8992
189: ok 8993
189: ok 8994
189: ok 8995
189: ok 8996
189: ok 8997
189: ok 8998
189: ok 8999
189: ok 9000
189: ok 9001
189: ok 9002
189: ok 9003
189: ok 9004
189: ok 9005
189: ok 9006
189: ok 9007
189: ok 9008
189: ok 9009
189: ok 9010
189: ok 9011
189: ok 9012
189: ok 9013
189: ok 9014
189: ok 9015
189: ok 9016
189: ok 9017
189: ok 9018
189: ok 9019
189: ok 9020
189: ok 9021
189: ok 9022
189: ok 9023
189: ok 9024
189: ok 9025
189: ok 9026
189: ok 9027
189: ok 9028
189: ok 9029
189: ok 9030
189: ok 9031
189: ok 9032
189: ok 9033
189: ok 9034
189: ok 9035
189: ok 9036
189: ok 9037
189: ok 9038
189: ok 9039
189: ok 9040
189: ok 9041
189: ok 9042
189: ok 9043
189: ok 9044
189: ok 9045
189: ok 9046
189: ok 9047
189: ok 9048
189: ok 9049
189: ok 9050
189: ok 9051
189: ok 9052
189: ok 9053
189: ok 9054
189: ok 9055
189: ok 9056
189: ok 9057
189: ok 9058
189: ok 9059
189: ok 9060
189: ok 9061
189: ok 9062
189: ok 9063
189: ok 9064
189: ok 9065
189: ok 9066
189: ok 9067
189: ok 9068
189: ok 9069
189: ok 9070
189: ok 9071
189: ok 9072
189: ok 9073
189: ok 9074
189: ok 9075
189: ok 9076
189: ok 9077
189: ok 9078
189: ok 9079
189: ok 9080
189: ok 9081
189: ok 9082
189: ok 9083
189: ok 9084
189: ok 9085
189: ok 9086
189: ok 9087
189: ok 9088
189: ok 9089
189: ok 9090
189: ok 9091
189: ok 9092
189: ok 9093
189: ok 9094
189: ok 9095
189: ok 9096
189: ok 9097
189: ok 9098
189: ok 9099
189: ok 9100
189: ok 9101
189: ok 9102
189: ok 9103
189: ok 9104
189: ok 9105
189: ok 9106
189: ok 9107
189: ok 9108
189: ok 9109
189: ok 9110
189: ok 9111
189: ok 9112
189: ok 9113
189: ok 9114
189: ok 9115
189: ok 9116
189: ok 9117
189: ok 9118
189: ok 9119
189: ok 9120
189: ok 9121
189: ok 9122
189: ok 9123
189: ok 9124
189: ok 9125
189: ok 9126
189: ok 9127
189: ok 9128
189: ok 9129
189: ok 9130
189: ok 9131
189: ok 9132
189: ok 9133
189: ok 9134
189: ok 9135
189: ok 9136
189: ok 9137
189: ok 9138
189: ok 9139
189: ok 9140
189: ok 9141
189: ok 9142
189: ok 9143
189: ok 9144
189: ok 9145
189: ok 9146
189: ok 9147
189: ok 9148
189: ok 9149
189: ok 9150
189: ok 9151
189: ok 9152
189: ok 9153
189: ok 9154
189: ok 9155
189: ok 9156
189: ok 9157
189: ok 9158
189: ok 9159
189: ok 9160
189: ok 9161
189: ok 9162
189: ok 9163
189: ok 9164
189: ok 9165
189: ok 9166
189: ok 9167
189: ok 9168
189: ok 9169
189: ok 9170
189: ok 9171
189: ok 9172
189: ok 9173
189: ok 9174
189: ok 9175
189: ok 9176
189: ok 9177
189: ok 9178
189: ok 9179
189: ok 9180
189: ok 9181
189: ok 9182
189: ok 9183
189: ok 9184
189: ok 9185
189: ok 9186
189: ok 9187
189: ok 9188
189: ok 9189
189: ok 9190
189: ok 9191
189: ok 9192
189: ok 9193
189: ok 9194
189: ok 9195
189: ok 9196
189: ok 9197
189: ok 9198
189: ok 9199
189: ok 9200
189: ok 9201
189: ok 9202
189: ok 9203
189: ok 9204
189: ok 9205
189: ok 9206
189: ok 9207
189: ok 9208
189: ok 9209
189: ok 9210
189: ok 9211
189: ok 9212
189: ok 9213
189: ok 9214
189: ok 9215
189: ok 9216
189: ok 9217
189: ok 9218
189: ok 9219
189: ok 9220
189: ok 9221
189: ok 9222
189: ok 9223
189: ok 9224
189: ok 9225
189: ok 9226
189: ok 9227
189: ok 9228
189: ok 9229
189: ok 9230
189: ok 9231
189: ok 9232
189: ok 9233
189: ok 9234
189: ok 9235
189: ok 9236
189: ok 9237
189: ok 9238
189: ok 9239
189: ok 9240
189: ok 9241
189: ok 9242
189: ok 9243
189: ok 9244
189: ok 9245
189: ok 9246
189: ok 9247
189: ok 9248
189: ok 9249
189: ok 9250
189: ok 9251
189: ok 9252
189: ok 9253
189: ok 9254
189: ok 9255
189: ok 9256
189: ok 9257
189: ok 9258
189: ok 9259
189: ok 9260
189: ok 9261
189: ok 9262
189: ok 9263
189: ok 9264
189: ok 9265
189: ok 9266
189: ok 9267
189: ok 9268
189: ok 9269
189: ok 9270
189: ok 9271
189: ok 9272
189: ok 9273
189: ok 9274
189: ok 9275
189: ok 9276
189: ok 9277
189: ok 9278
189: ok 9279
189: ok 9280
189: ok 9281
189: ok 9282
189: ok 9283
189: ok 9284
189: ok 9285
189: ok 9286
189: ok 9287
189: ok 9288
189: ok 9289
189: ok 9290
189: ok 9291
189: ok 9292
189: ok 9293
189: ok 9294
189: ok 9295
189: ok 9296
189: ok 9297
189: ok 9298
189: ok 9299
189: ok 9300
189: ok 9301
189: ok 9302
189: ok 9303
189: ok 9304
189: ok 9305
189: ok 9306
189: ok 9307
189: ok 9308
189: ok 9309
189: ok 9310
189: ok 9311
189: ok 9312
189: ok 9313
189: ok 9314
189: ok 9315
189: ok 9316
189: ok 9317
189: ok 9318
189: ok 9319
189: ok 9320
189: ok 9321
189: ok 9322
189: ok 9323
189: ok 9324
189: ok 9325
189: ok 9326
189: ok 9327
189: ok 9328
189: ok 9329
189: ok 9330
189: ok 9331
189: ok 9332
189: ok 9333
189: ok 9334
189: ok 9335
189: ok 9336
189: ok 9337
189: ok 9338
189: ok 9339
189: ok 9340
189: ok 9341
189: ok 9342
189: ok 9343
189: ok 9344
189: ok 9345
189: ok 9346
189: ok 9347
189: ok 9348
189: ok 9349
189: ok 9350
189: ok 9351
189: ok 9352
189: ok 9353
189: ok 9354
189: ok 9355
189: ok 9356
189: ok 9357
189: ok 9358
189: ok 9359
189: ok 9360
189: ok 9361
189: ok 9362
189: ok 9363
189: ok 9364
189: ok 9365
189: ok 9366
189: ok 9367
189: ok 9368
189: ok 9369
189: ok 9370
189: ok 9371
189: ok 9372
189: ok 9373
189: ok 9374
189: ok 9375
189: ok 9376
189: ok 9377
189: ok 9378
189: ok 9379
189: ok 9380
189: ok 9381
189: ok 9382
189: ok 9383
189: ok 9384
189: ok 9385
189: ok 9386
189: ok 9387
189: ok 9388
189: ok 9389
189: ok 9390
189: ok 9391
189: ok 9392
189: ok 9393
189: ok 9394
189: ok 9395
189: ok 9396
189: ok 9397
189: ok 9398
189: ok 9399
189: ok 9400
189: ok 9401
189: ok 9402
189: ok 9403
189: ok 9404
189: ok 9405
189: ok 9406
189: ok 9407
189: ok 9408
189: ok 9409
189: ok 9410
189: ok 9411
189: ok 9412
189: ok 9413
189: ok 9414
189: ok 9415
189: ok 9416
189: ok 9417
189: ok 9418
189: ok 9419
189: ok 9420
189: ok 9421
189: ok 9422
189: ok 9423
189: ok 9424
189: ok 9425
189: ok 9426
189: ok 9427
189: ok 9428
189: ok 9429
189: ok 9430
189: ok 9431
189: ok 9432
189: ok 9433
189: ok 9434
189: ok 9435
189: ok 9436
189: ok 9437
189: ok 9438
189: ok 9439
189: ok 9440
189: ok 9441
189: ok 9442
189: ok 9443
189: ok 9444
189: ok 9445
189: ok 9446
189: ok 9447
189: ok 9448
189: ok 9449
189: ok 9450
189: ok 9451
189: ok 9452
189: ok 9453
189: ok 9454
189: ok 9455
189: ok 9456
189: ok 9457
189: ok 9458
189: ok 9459
189: ok 9460
189: ok 9461
189: ok 9462
189: ok 9463
189: ok 9464
189: ok 9465
189: ok 9466
189: ok 9467
189: ok 9468
189: ok 9469
189: ok 9470
189: ok 9471
189: ok 9472
189: ok 9473
189: ok 9474
189: ok 9475
189: ok 9476
189: ok 9477
189: ok 9478
189: ok 9479
189: ok 9480
189: ok 9481
189: ok 9482
189: ok 9483
189: ok 9484
189: ok 9485
189: ok 9486
189: ok 9487
189: ok 9488
189: ok 9489
189: ok 9490
189: ok 9491
189: ok 9492
189: ok 9493
189: ok 9494
189: ok 9495
189: ok 9496
189: ok 9497
189: ok 9498
189: ok 9499
189: ok 9500
189: ok 9501
189: ok 9502
189: ok 9503
189: ok 9504
189: ok 9505
189: ok 9506
189: ok 9507
189: ok 9508
189: ok 9509
189: ok 9510
189: ok 9511
189: ok 9512
189: ok 9513
189: ok 9514
189: ok 9515
189: ok 9516
189: ok 9517
189: ok 9518
189: ok 9519
189: ok 9520
189: ok 9521
189: ok 9522
189: ok 9523
189: ok 9524
189: ok 9525
189: ok 9526
189: ok 9527
189: ok 9528
189: ok 9529
189: ok 9530
189: ok 9531
189: ok 9532
189: ok 9533
189: ok 9534
189: ok 9535
189: ok 9536
189: ok 9537
189: ok 9538
189: ok 9539
189: ok 9540
189: ok 9541
189: ok 9542
189: ok 9543
189: ok 9544
189: ok 9545
189: ok 9546
189: ok 9547
189: ok 9548
189: ok 9549
189: ok 9550
189: ok 9551
189: ok 9552
189: ok 9553
189: ok 9554
189: ok 9555
189: ok 9556
189: ok 9557
189: ok 9558
189: ok 9559
189: ok 9560
189: ok 9561
189: ok 9562
189: ok 9563
189: ok 9564
189: ok 9565
189: ok 9566
189: ok 9567
189: ok 9568
189: ok 9569
189: ok 9570
189: ok 9571
189: ok 9572
189: ok 9573
189: ok 9574
189: ok 9575
189: ok 9576
189: ok 9577
189: ok 9578
189: ok 9579
189: ok 9580
189: ok 9581
189: ok 9582
189: ok 9583
189: ok 9584
189: ok 9585
189: ok 9586
189: ok 9587
189: ok 9588
189: ok 9589
189: ok 9590
189: ok 9591
189: ok 9592
189: ok 9593
189: ok 9594
189: ok 9595
189: ok 9596
189: ok 9597
189: ok 9598
189: ok 9599
189: ok 9600
189: ok 9601
189: ok 9602
189: ok 9603
189: ok 9604
189: ok 9605
189: ok 9606
189: ok 9607
189: ok 9608
189: ok 9609
189: ok 9610
189: ok 9611
189: ok 9612
189: ok 9613
189: ok 9614
189: ok 9615
189: ok 9616
189: ok 9617
189: ok 9618
189: ok 9619
189: ok 9620
189: ok 9621
189: ok 9622
189: ok 9623
189: ok 9624
189: ok 9625
189: ok 9626
189: ok 9627
189: ok 9628
189: ok 9629
189: ok 9630
189: ok 9631
189: ok 9632
189: ok 9633
189: ok 9634
189: ok 9635
189: ok 9636
189: ok 9637
189: ok 9638
189: ok 9639
189: ok 9640
189: ok 9641
189: ok 9642
189: ok 9643
189: ok 9644
189: ok 9645
189: ok 9646
189: ok 9647
189: ok 9648
189: ok 9649
189: ok 9650
189: ok 9651
189: ok 9652
189: ok 9653
189: ok 9654
189: ok 9655
189: ok 9656
189: ok 9657
189: ok 9658
189: ok 9659
189: ok 9660
189: ok 9661
189: ok 9662
189: ok 9663
189: ok 9664
189: ok 9665
189: ok 9666
189: ok 9667
189: ok 9668
189: ok 9669
189: ok 9670
189: ok 9671
189: ok 9672
189: ok 9673
189: ok 9674
189: ok 9675
189: ok 9676
189: ok 9677
189: ok 9678
189: ok 9679
189: ok 9680
189: ok 9681
189: ok 9682
189: ok 9683
189: ok 9684
189: ok 9685
189: ok 9686
189: ok 9687
189: ok 9688
189: ok 9689
189: ok 9690
189: ok 9691
189: ok 9692
189: ok 9693
189: ok 9694
189: ok 9695
189: ok 9696
189: ok 9697
189: ok 9698
189: ok 9699
189: ok 9700
189: ok 9701
189: ok 9702
189: ok 9703
189: ok 9704
189: ok 9705
189: ok 9706
189: ok 9707
189: ok 9708
189: ok 9709
189: ok 9710
189: ok 9711
189: ok 9712
189: ok 9713
189: ok 9714
189: ok 9715
189: ok 9716
189: ok 9717
189: ok 9718
189: ok 9719
189: ok 9720
189: ok 9721
189: ok 9722
189: ok 9723
189: ok 9724
189: ok 9725
189: ok 9726
189: ok 9727
189: ok 9728
189: ok 9729
189: ok 9730
189: ok 9731
189: ok 9732
189: ok 9733
189: ok 9734
189: ok 9735
189: ok 9736
189: ok 9737
189: ok 9738
189: ok 9739
189: ok 9740
189: ok 9741
189: ok 9742
189: ok 9743
189: ok 9744
189: ok 9745
189: ok 9746
189: ok 9747
189: ok 9748
189: ok 9749
189: ok 9750
189: ok 9751
189: ok 9752
189: ok 9753
189: ok 9754
189: ok 9755
189: ok 9756
189: ok 9757
189: ok 9758
189: ok 9759
189: ok 9760
189: ok 9761
189: ok 9762
189: ok 9763
189: ok 9764
189: ok 9765
189: ok 9766
189: ok 9767
189: ok 9768
189: ok 9769
189: ok 9770
189: ok 9771
189: ok 9772
189: ok 9773
189: ok 9774
189: ok 9775
189: ok 9776
189: ok 9777
189: ok 9778
189: ok 9779
189: ok 9780
189: ok 9781
189: ok 9782
189: ok 9783
189: ok 9784
189: ok 9785
189: ok 9786
189: ok 9787
189: ok 9788
189: ok 9789
189: ok 9790
189: ok 9791
189: ok 9792
189: ok 9793
189: ok 9794
189: ok 9795
189: ok 9796
189: ok 9797
189: ok 9798
189: ok 9799
189: ok 9800
189: ok 9801
189: ok 9802
189: ok 9803
189: ok 9804
189: ok 9805
189: ok 9806
189: ok 9807
189: ok 9808
189: ok 9809
189: ok 9810
189: ok 9811
189: ok 9812
189: ok 9813
189: ok 9814
189: ok 9815
189: ok 9816
189: ok 9817
189: ok 9818
189: ok 9819
189: ok 9820
189: ok 9821
189: ok 9822
189: ok 9823
189: ok 9824
189: ok 9825
189: ok 9826
189: ok 9827
189: ok 9828
189: ok 9829
189: ok 9830
189: ok 9831
189: ok 9832
189: ok 9833
189: ok 9834
189: ok 9835
189: ok 9836
189: ok 9837
189: ok 9838
189: ok 9839
189: ok 9840
189: ok 9841
189: ok 9842
189: ok 9843
189: ok 9844
189: ok 9845
189: ok 9846
189: ok 9847
189: ok 9848
189: ok 9849
189: ok 9850
189: ok 9851
189: ok 9852
189: ok 9853
189: ok 9854
189: ok 9855
189: ok 9856
189: ok 9857
189: ok 9858
189: ok 9859
189: ok 9860
189: ok 9861
189: ok 9862
189: ok 9863
189: ok 9864
189: ok 9865
189: ok 9866
189: ok 9867
189: ok 9868
189: ok 9869
189: ok 9870
189: ok 9871
189: ok 9872
189: ok 9873
189: ok 9874
189: ok 9875
189: ok 9876
189: ok 9877
189: ok 9878
189: ok 9879
189: ok 9880
189: ok 9881
189: ok 9882
189: ok 9883
189: ok 9884
189: ok 9885
189: ok 9886
189: ok 9887
189: ok 9888
189: ok 9889
189: ok 9890
189: ok 9891
189: ok 9892
189: ok 9893
189: ok 9894
189: ok 9895
189: ok 9896
189: ok 9897
189: ok 9898
189: ok 9899
189: ok 9900
189: ok 9901
189: ok 9902
189: ok 9903
189: ok 9904
189: ok 9905
189: ok 9906
189: ok 9907
189: ok 9908
189: ok 9909
189: ok 9910
189: ok 9911
189: ok 9912
189: ok 9913
189: ok 9914
189: ok 9915
189: ok 9916
189: ok 9917
189: ok 9918
189: ok 9919
189: ok 9920
189: ok 9921
189: ok 9922
189: ok 9923
189: ok 9924
189: ok 9925
189: ok 9926
189: ok 9927
189: ok 9928
189: ok 9929
189: ok 9930
189: ok 9931
189: ok 9932
189: ok 9933
189: ok 9934
189: ok 9935
189: ok 9936
189: ok 9937
189: ok 9938
189: ok 9939
189: ok 9940
189: ok 9941
189: ok 9942
189: ok 9943
189: ok 9944
189: ok 9945
189: ok 9946
189: ok 9947
189: ok 9948
189: ok 9949
189: ok 9950
189: ok 9951
189: ok 9952
189: ok 9953
189: ok 9954
189: ok 9955
189: ok 9956
189: ok 9957
189: ok 9958
189: ok 9959
189: ok 9960
189: ok 9961
189: ok 9962
189: ok 9963
189: ok 9964
189: ok 9965
189: ok 9966
189: ok 9967
189: ok 9968
189: ok 9969
189: ok 9970
189: ok 9971
189: ok 9972
189: ok 9973
189: ok 9974
189: ok 9975
189: ok 9976
189: ok 9977
189: ok 9978
189: ok 9979
189: ok 9980
189: ok 9981
189: ok 9982
189: ok 9983
189: ok 9984
189: ok 9985
189: ok 9986
189: ok 9987
189: ok 9988
189: ok 9989
189: ok 9990
189: ok 9991
189: ok 9992
189: ok 9993
189: ok 9994
189: ok 9995
189: ok 9996
189: ok 9997
189: ok 9998
189: ok 9999
189: ok 10000
189: ok 10001
189: ok 10002
189: ok 10003
189: ok 10004
189: ok 10005
189: ok 10006
189: ok 10007
189: ok 10008
189: ok 10009
189: ok 10010
189: ok 10011
189: ok 10012
189: ok 10013
189: ok 10014
189: ok 10015
189: ok 10016
189: ok 10017
189: ok 10018
189: ok 10019
189: ok 10020
189: ok 10021
189: ok 10022
189: ok 10023
189: ok 10024
189: ok 10025
189: ok 10026
189: ok 10027
189: ok 10028
189: ok 10029
189: ok 10030
189: ok 10031
189: ok 10032
189: ok 10033
189: ok 10034
189: ok 10035
189: ok 10036
189: ok 10037
189: ok 10038
189: ok 10039
189: ok 10040
189: ok 10041
189: ok 10042
189: ok 10043
189: ok 10044
189: ok 10045
189: ok 10046
189: ok 10047
189: ok 10048
189: ok 10049
189: ok 10050
189: ok 10051
189: ok 10052
189: ok 10053
189: ok 10054
189: ok 10055
189: ok 10056
189: ok 10057
189: ok 10058
189: ok 10059
189: ok 10060
189: ok 10061
189: ok 10062
189: ok 10063
189: ok 10064
189: ok 10065
189: ok 10066
189: ok 10067
189: ok 10068
189: ok 10069
189: ok 10070
189: ok 10071
189: ok 10072
189: ok 10073
189: ok 10074
189: ok 10075
189: ok 10076
189: ok 10077
189: ok 10078
189: ok 10079
189: ok 10080
189: ok 10081
189: ok 10082
189: ok 10083
189: ok 10084
189: ok 10085
189: ok 10086
189: ok 10087
189: ok 10088
189: ok 10089
189: ok 10090
189: ok 10091
189: ok 10092
189: ok 10093
189: ok 10094
189: ok 10095
189: ok 10096
189: ok 10097
189: ok 10098
189: ok 10099
189: ok 10100
189: ok 10101
189: ok 10102
189: ok 10103
189: ok 10104
189: ok 10105
189: ok 10106
189: ok 10107
189: ok 10108
189: ok 10109
189: ok 10110
189: ok 10111
189: ok 10112
189: ok 10113
189: ok 10114
189: ok 10115
189: ok 10116
189: ok 10117
189: ok 10118
189: ok 10119
189: ok 10120
189: ok 10121
189: ok 10122
189: ok 10123
189: ok 10124
189: ok 10125
189: ok 10126
189: ok 10127
189: ok 10128
189: ok 10129
189: ok 10130
189: ok 10131
189: ok 10132
189: ok 10133
189: ok 10134
189: ok 10135
189: ok 10136
189: ok 10137
189: ok 10138
189: ok 10139
189: ok 10140
189: ok 10141
189: ok 10142
189: ok 10143
189: ok 10144
189: ok 10145
189: ok 10146
189: ok 10147
189: ok 10148
189: ok 10149
189: ok 10150
189: ok 10151
189: ok 10152
189: ok 10153
189: ok 10154
189: ok 10155
189: ok 10156
189: ok 10157
189: ok 10158
189: ok 10159
189: ok 10160
189: ok 10161
189: ok 10162
189: ok 10163
189: ok 10164
189: ok 10165
189: ok 10166
189: ok 10167
189: ok 10168
189: ok 10169
189: ok 10170
189: ok 10171
189: ok 10172
189: ok 10173
189: ok 10174
189: ok 10175
189: ok 10176
189: ok 10177
189: ok 10178
189: ok 10179
189: ok 10180
189: ok 10181
189: ok 10182
189: ok 10183
189: ok 10184
189: ok 10185
189: ok 10186
189: ok 10187
189: ok 10188
189: ok 10189
189: ok 10190
189: ok 10191
189: ok 10192
189: ok 10193
189: ok 10194
189: ok 10195
189: ok 10196
189: ok 10197
189: ok 10198
189: ok 10199
189: ok 10200
189: ok 10201
189: ok 10202
189: ok 10203
189: ok 10204
189: ok 10205
189: ok 10206
189: ok 10207
189: ok 10208
189: ok 10209
189: ok 10210
189: ok 10211
189: ok 10212
189: ok 10213
189: ok 10214
189: ok 10215
189: ok 10216
189: ok 10217
189: ok 10218
189: ok 10219
189: ok 10220
189: ok 10221
189: ok 10222
189: ok 10223
189: ok 10224
189: ok 10225
189: ok 10226
189: ok 10227
189: ok 10228
189: ok 10229
189: ok 10230
189: ok 10231
189: ok 10232
189: ok 10233
189: ok 10234
189: ok 10235
189: ok 10236
189: ok 10237
189: ok 10238
189: ok 10239
189: ok 10240
189: ok 10241
189: ok 10242
189: ok 10243
189: ok 10244
189: ok 10245
189: ok 10246
189: ok 10247
189: ok 10248
189: ok 10249
189: ok 10250
189: ok 10251
189: ok 10252
189: ok 10253
189: ok 10254
189: ok 10255
189: ok 10256
189: ok 10257
189: ok 10258
189: ok 10259
189: ok 10260
189: ok 10261
189: ok 10262
189: ok 10263
189: ok 10264
189: ok 10265
189: ok 10266
189: ok 10267
189: ok 10268
189: ok 10269
189: ok 10270
189: ok 10271
189: ok 10272
189: ok 10273
189: ok 10274
189: ok 10275
189: ok 10276
189: ok 10277
189: ok 10278
189: ok 10279
189: ok 10280
189: ok 10281
189: ok 10282
189: ok 10283
189: ok 10284
189: ok 10285
189: ok 10286
189: ok 10287
189: ok 10288
189: ok 10289
189: ok 10290
189: ok 10291
189: ok 10292
189: ok 10293
189: ok 10294
189: ok 10295
189: ok 10296
189: ok 10297
189: ok 10298
189: ok 10299
189: ok 10300
189: ok 10301
189: ok 10302
189: ok 10303
189: ok 10304
189: ok 10305
189: ok 10306
189: ok 10307
189: ok 10308
189: ok 10309
189: ok 10310
189: ok 10311
189: ok 10312
189: ok 10313
189: ok 10314
189: ok 10315
189: ok 10316
189: ok 10317
189: ok 10318
189: ok 10319
189: ok 10320
189: ok 10321
189: ok 10322
189: ok 10323
189: ok 10324
189: ok 10325
189: ok 10326
189: ok 10327
189: ok 10328
189: ok 10329
189: ok 10330
189: ok 10331
189: ok 10332
189: ok 10333
189: ok 10334
189: ok 10335
189: ok 10336
189: ok 10337
189: ok 10338
189: ok 10339
189: ok 10340
189: ok 10341
189: ok 10342
189: ok 10343
189: ok 10344
189: ok 10345
189: ok 10346
189: ok 10347
189: ok 10348
189: ok 10349
189: ok 10350
189: ok 10351
189: ok 10352
189: ok 10353
189: ok 10354
189: ok 10355
189: ok 10356
189: ok 10357
189: ok 10358
189: ok 10359
189: ok 10360
189: ok 10361
189: ok 10362
189: ok 10363
189: ok 10364
189: ok 10365
189: ok 10366
189: ok 10367
189: ok 10368
189: ok 10369
189: ok 10370
189: ok 10371
189: ok 10372
189: ok 10373
189: ok 10374
189: ok 10375
189: ok 10376
189: ok 10377
189: ok 10378
189: ok 10379
189: ok 10380
189: ok 10381
189: ok 10382
189: ok 10383
189: ok 10384
189: ok 10385
189: ok 10386
189: ok 10387
189: ok 10388
189: ok 10389
189: ok 10390
189: ok 10391
189: ok 10392
189: ok 10393
189: ok 10394
189: ok 10395
189: ok 10396
189: ok 10397
189: ok 10398
189: ok 10399
189: ok 10400
189: ok 10401
189: ok 10402
189: ok 10403
189: ok 10404
189: ok 10405
189: ok 10406
189: ok 10407
189: ok 10408
189: ok 10409
189: ok 10410
189: ok 10411
189: ok 10412
189: ok 10413
189: ok 10414
189: ok 10415
189: ok 10416
189: ok 10417
189: ok 10418
189: ok 10419
189: ok 10420
189: ok 10421
189: ok 10422
189: ok 10423
189: ok 10424
189: ok 10425
189: ok 10426
189: ok 10427
189: ok 10428
189: ok 10429
189: ok 10430
189: ok 10431
189: ok 10432
189: ok 10433
189: ok 10434
189: ok 10435
189: ok 10436
189: ok 10437
189: ok 10438
189: ok 10439
189: ok 10440
189: ok 10441
189: ok 10442
189: ok 10443
189: ok 10444
189: ok 10445
189: ok 10446
189: ok 10447
189: ok 10448
189: ok 10449
189: ok 10450
189: ok 10451
189: ok 10452
189: ok 10453
189: ok 10454
189: ok 10455
189: ok 10456
189: ok 10457
189: ok 10458
189: ok 10459
189: ok 10460
189: ok 10461
189: ok 10462
189: ok 10463
189: ok 10464
189: ok 10465
189: ok 10466
189: ok 10467
189: ok 10468
189: ok 10469
189: ok 10470
189: ok 10471
189: ok 10472
189: ok 10473
189: ok 10474
189: ok 10475
189: ok 10476
189: ok 10477
189: ok 10478
189: ok 10479
189: ok 10480
189: ok 10481
189: ok 10482
189: ok 10483
189: ok 10484
189: ok 10485
189: ok 10486
189: ok 10487
189: ok 10488
189: ok 10489
189: ok 10490
189: ok 10491
189: ok 10492
189: ok 10493
189: ok 10494
189: ok 10495
189: ok 10496
189: ok 10497
189: ok 10498
189: ok 10499
189: ok 10500
189: ok 10501
189: ok 10502
189: ok 10503
189: ok 10504
189: ok 10505
189: ok 10506
189: ok 10507
189: ok 10508
189: ok 10509
189: ok 10510
189: ok 10511
189: ok 10512
189: ok 10513
189: ok 10514
189: ok 10515
189: ok 10516
189: ok 10517
189: ok 10518
189: ok 10519
189: ok 10520
189: ok 10521
189: ok 10522
189: ok 10523
189: ok 10524
189: ok 10525
189: ok 10526
189: ok 10527
189: ok 10528
189: ok 10529
189: ok 10530
189: ok 10531
189: ok 10532
189: ok 10533
189: ok 10534
189: ok 10535
189: ok 10536
189: ok 10537
189: ok 10538
189: ok 10539
189: ok 10540
189: ok 10541
189: ok 10542
189: ok 10543
189: ok 10544
189: ok 10545
189: ok 10546
189: ok 10547
189: ok 10548
189: ok 10549
189: ok 10550
189: ok 10551
189: ok 10552
189: ok 10553
189: ok 10554
189: ok 10555
189: ok 10556
189: ok 10557
189: ok 10558
189: ok 10559
189: ok 10560
189: ok 10561
189: ok 10562
189: ok 10563
189: ok 10564
189: ok 10565
189: ok 10566
189: ok 10567
189: ok 10568
189: ok 10569
189: ok 10570
189: ok 10571
189: ok 10572
189: ok 10573
189: ok 10574
189: ok 10575
189: ok 10576
189: ok 10577
189: ok 10578
189: ok 10579
189: ok 10580
189: ok 10581
189: ok 10582
189: ok 10583
189: ok 10584
189: ok 10585
189: ok 10586
189: ok 10587
189: ok 10588
189: ok 10589
189: ok 10590
189: ok 10591
189: ok 10592
189: ok 10593
189: ok 10594
189: ok 10595
189: ok 10596
189: ok 10597
189: ok 10598
189: ok 10599
189: ok 10600
189: ok 10601
189: ok 10602
189: ok 10603
189: ok 10604
189: ok 10605
189: ok 10606
189: ok 10607
189: ok 10608
189: ok 10609
189: ok 10610
189: ok 10611
189: ok 10612
189: ok 10613
189: ok 10614
189: ok 10615
189: ok 10616
189: ok 10617
189: ok 10618
189: ok 10619
189: ok 10620
189: ok 10621
189: ok 10622
189: ok 10623
189: ok 10624
189: ok 10625
189: ok 10626
189: ok 10627
189: ok 10628
189: ok 10629
189: ok 10630
189: ok 10631
189: ok 10632
189: ok 10633
189: ok 10634
189: ok 10635
189: ok 10636
189: ok 10637
189: ok 10638
189: ok 10639
189: ok 10640
189: ok 10641
189: ok 10642
189: ok 10643
189: ok 10644
189: ok 10645
189: ok 10646
189: ok 10647
189: ok 10648
189: ok 10649
189: ok 10650
189: ok 10651
189: ok 10652
189: ok 10653
189: ok 10654
189: ok 10655
189: ok 10656
189: ok 10657
189: ok 10658
189: ok 10659
189: ok 10660
189: ok 10661
189: ok 10662
189: ok 10663
189: ok 10664
189: ok 10665
189: ok 10666
189: ok 10667
189: ok 10668
189: ok 10669
189: ok 10670
189: ok 10671
189: ok 10672
189: ok 10673
189: ok 10674
189: ok 10675
189: ok 10676
189: ok 10677
189: ok 10678
189: ok 10679
189: ok 10680
189: ok 10681
189: ok 10682
189: ok 10683
189: ok 10684
189: ok 10685
189: ok 10686
189: ok 10687
189: ok 10688
189: ok 10689
189: ok 10690
189: ok 10691
189: ok 10692
189: ok 10693
189: ok 10694
189: ok 10695
189: ok 10696
189: ok 10697
189: ok 10698
189: ok 10699
189: ok 10700
189: ok 10701
189: ok 10702
189: ok 10703
189: ok 10704
189: ok 10705
189: ok 10706
189: ok 10707
189: ok 10708
189: ok 10709
189: ok 10710
189: ok 10711
189: ok 10712
189: ok 10713
189: ok 10714
189: ok 10715
189: ok 10716
189: ok 10717
189: ok 10718
189: ok 10719
189: ok 10720
189: ok 10721
189: ok 10722
189: ok 10723
189: ok 10724
189: ok 10725
189: ok 10726
189: ok 10727
189: ok 10728
189: ok 10729
189: ok 10730
189: ok 10731
189: ok 10732
189: ok 10733
189: ok 10734
189: ok 10735
189: ok 10736
189: ok 10737
189: ok 10738
189: ok 10739
189: ok 10740
189: ok 10741
189: ok 10742
189: ok 10743
189: ok 10744
189: ok 10745
189: ok 10746
189: ok 10747
189: ok 10748
189: ok 10749
189: ok 10750
189: ok 10751
189: ok 10752
189: ok 10753
189: ok 10754
189: ok 10755
189: ok 10756
189: ok 10757
189: ok 10758
189: ok 10759
189: ok 10760
189: ok 10761
189: ok 10762
189: ok 10763
189: ok 10764
189: ok 10765
189: ok 10766
189: ok 10767
189: ok 10768
189: ok 10769
189: ok 10770
189: ok 10771
189: ok 10772
189: ok 10773
189: ok 10774
189: ok 10775
189: ok 10776
189: ok 10777
189: ok 10778
189: ok 10779
189: ok 10780
189: ok 10781
189: ok 10782
189: ok 10783
189: ok 10784
189: ok 10785
189: ok 10786
189: ok 10787
189: ok 10788
189: ok 10789
189: ok 10790
189: ok 10791
189: ok 10792
189: ok 10793
189: ok 10794
189: ok 10795
189: ok 10796
189: ok 10797
189: ok 10798
189: ok 10799
189: ok 10800
189: ok 10801
189: ok 10802
189: ok 10803
189: ok 10804
189: ok 10805
189: ok 10806
189: ok 10807
189: ok 10808
189: ok 10809
189: ok 10810
189: ok 10811
189: ok 10812
189: ok 10813
189: ok 10814
189: ok 10815
189: ok 10816
189: ok 10817
189: ok 10818
189: ok 10819
189: ok 10820
189: ok 10821
189: ok 10822
189: ok 10823
189: ok 10824
189: ok 10825
189: ok 10826
189: ok 10827
189: ok 10828
189: ok 10829
189: ok 10830
189: ok 10831
189: ok 10832
189: ok 10833
189: ok 10834
189: ok 10835
189: ok 10836
189: ok 10837
189: ok 10838
189: ok 10839
189: ok 10840
189: ok 10841
189: ok 10842
189: ok 10843
189: ok 10844
189: ok 10845
189: ok 10846
189: ok 10847
189: ok 10848
189: ok 10849
189: ok 10850
189: ok 10851
189: ok 10852
189: ok 10853
189: ok 10854
189: ok 10855
189: ok 10856
189: ok 10857
189: ok 10858
189: ok 10859
189: ok 10860
189: ok 10861
189: ok 10862
189: ok 10863
189: ok 10864
189: ok 10865
189: ok 10866
189: ok 10867
189: ok 10868
189: ok 10869
189: ok 10870
189: ok 10871
189: ok 10872
189: ok 10873
189: ok 10874
189: ok 10875
189: ok 10876
189: ok 10877
189: ok 10878
189: ok 10879
189: ok 10880
189: ok 10881
189: ok 10882
189: ok 10883
189: ok 10884
189: ok 10885
189: ok 10886
189: ok 10887
189: ok 10888
189: ok 10889
189: ok 10890
189: ok 10891
189: ok 10892
189: ok 10893
189: ok 10894
189: ok 10895
189: ok 10896
189: ok 10897
189: ok 10898
189: ok 10899
189: ok 10900
189: ok 10901
189: ok 10902
189: ok 10903
189: ok 10904
189: ok 10905
189: ok 10906
189: ok 10907
189: ok 10908
189: ok 10909
189: ok 10910
189: ok 10911
189: ok 10912
189: ok 10913
189: ok 10914
189: ok 10915
189: ok 10916
189: ok 10917
189: ok 10918
189: ok 10919
189: ok 10920
189: ok 10921
189: ok 10922
189: ok 10923
189: ok 10924
189: ok 10925
189: ok 10926
189: ok 10927
189: ok 10928
189: ok 10929
189: ok 10930
189: ok 10931
189: ok 10932
189: ok 10933
189: ok 10934
189: ok 10935
189: ok 10936
189: ok 10937
189: ok 10938
189: ok 10939
189: ok 10940
189: ok 10941
189: ok 10942
189: ok 10943
189: ok 10944
189: ok 10945
189: ok 10946
189: ok 10947
189: ok 10948
189: ok 10949
189: ok 10950
189: ok 10951
189: ok 10952
189: ok 10953
189: ok 10954
189: ok 10955
189: ok 10956
189: ok 10957
189: ok 10958
189: ok 10959
189: ok 10960
189: ok 10961
189: ok 10962
189: ok 10963
189: ok 10964
189: ok 10965
189: ok 10966
189: ok 10967
189: ok 10968
189: ok 10969
189: ok 10970
189: ok 10971
189: ok 10972
189: ok 10973
189: ok 10974
189: ok 10975
189: ok 10976
189: ok 10977
189: ok 10978
189: ok 10979
189: ok 10980
189: ok 10981
189: ok 10982
189: ok 10983
189: ok 10984
189: ok 10985
189: ok 10986
189: ok 10987
189: ok 10988
189: ok 10989
189: ok 10990
189: ok 10991
189: ok 10992
189: ok 10993
189: ok 10994
189: ok 10995
189: ok 10996
189: ok 10997
189: ok 10998
189: ok 10999
189: ok 11000
189: ok 11001
189: ok 11002
189: ok 11003
189: ok 11004
189: ok 11005
189: ok 11006
189: ok 11007
189: ok 11008
189: ok 11009
189: ok 11010
189: ok 11011
189: ok 11012
189: ok 11013
189: ok 11014
189: ok 11015
189: ok 11016
189: ok 11017
189: ok 11018
189: ok 11019
189: ok 11020
189: ok 11021
189: ok 11022
189: ok 11023
189: ok 11024
189: ok 11025
189: ok 11026
189: ok 11027
189: ok 11028
189: ok 11029
189: ok 11030
189: ok 11031
189: ok 11032
189: ok 11033
189: ok 11034
189: ok 11035
189: ok 11036
189: ok 11037
189: ok 11038
189: ok 11039
189: ok 11040
189: ok 11041
189: ok 11042
189: ok 11043
189: ok 11044
189: ok 11045
189: ok 11046
189: ok 11047
189: ok 11048
189: ok 11049
189: ok 11050
189: ok 11051
189: ok 11052
189: ok 11053
189: ok 11054
189: ok 11055
189: ok 11056
189: ok 11057
189: ok 11058
189: ok 11059
189: ok 11060
189: ok 11061
189: ok 11062
189: ok 11063
189: ok 11064
189: ok 11065
189: ok 11066
189: ok 11067
189: ok 11068
189: ok 11069
189: ok 11070
189: ok 11071
189: ok 11072
189: ok 11073
189: ok 11074
189: ok 11075
189: ok 11076
189: ok 11077
189: ok 11078
189: ok 11079
189: ok 11080
189: ok 11081
189: ok 11082
189: ok 11083
189: ok 11084
189: ok 11085
189: ok 11086
189: ok 11087
189: ok 11088
189: ok 11089
189: ok 11090
189: ok 11091
189: ok 11092
189: ok 11093
189: ok 11094
189: ok 11095
189: ok 11096
189: ok 11097
189: ok 11098
189: ok 11099
189: ok 11100
189: ok 11101
189: ok 11102
189: ok 11103
189: ok 11104
189: ok 11105
189: ok 11106
189: ok 11107
189: ok 11108
189: ok 11109
189: ok 11110
189: ok 11111
189: ok 11112
189: ok 11113
189: ok 11114
189: ok 11115
189: ok 11116
189: ok 11117
189: ok 11118
189: ok 11119
189: ok 11120
189: ok 11121
189: ok 11122
189: ok 11123
189: ok 11124
189: ok 11125
189: ok 11126
189: ok 11127
189: ok 11128
189: ok 11129
189: ok 11130
189: ok 11131
189: ok 11132
189: ok 11133
189: ok 11134
189: ok 11135
189: ok 11136
189: ok 11137
189: ok 11138
189: ok 11139
189: ok 11140
189: ok 11141
189: ok 11142
189: ok 11143
189: ok 11144
189: ok 11145
189: ok 11146
189: ok 11147
189: ok 11148
189: ok 11149
189: ok 11150
189: ok 11151
189: ok 11152
189: ok 11153
189: ok 11154
189: ok 11155
189: ok 11156
189: ok 11157
189: ok 11158
189: ok 11159
189: ok 11160
189: ok 11161
189: ok 11162
189: ok 11163
189: ok 11164
189: ok 11165
189: ok 11166
189: ok 11167
189: ok 11168
189: ok 11169
189: ok 11170
189: ok 11171
189: ok 11172
189: ok 11173
189: ok 11174
189: ok 11175
189: ok 11176
189: ok 11177
189: ok 11178
189: ok 11179
189: ok 11180
189: ok 11181
189: ok 11182
189: ok 11183
189: ok 11184
189: ok 11185
189: ok 11186
189: ok 11187
189: ok 11188
189: ok 11189
189: ok 11190
189: ok 11191
189: ok 11192
189: ok 11193
189: ok 11194
189: ok 11195
189: ok 11196
189: ok 11197
189: ok 11198
189: ok 11199
189: ok 11200
189: ok 11201
189: ok 11202
189: ok 11203
189: ok 11204
189: ok 11205
189: ok 11206
189: ok 11207
189: ok 11208
189: ok 11209
189: ok 11210
189: ok 11211
189: ok 11212
189: ok 11213
189: ok 11214
189: ok 11215
189: ok 11216
189: ok 11217
189: ok 11218
189: ok 11219
189: ok 11220
189: ok 11221
189: ok 11222
189: ok 11223
189: ok 11224
189: ok 11225
189: ok 11226
189: ok 11227
189: ok 11228
189: ok 11229
189: ok 11230
189: ok 11231
189: ok 11232
189: ok 11233
189: ok 11234
189: ok 11235
189: ok 11236
189: ok 11237
189: ok 11238
189: ok 11239
189: ok 11240
189: ok 11241
189: ok 11242
189: ok 11243
189: ok 11244
189: ok 11245
189: ok 11246
189: ok 11247
189: ok 11248
189: ok 11249
189: ok 11250
189: ok 11251
189: ok 11252
189: ok 11253
189: ok 11254
189: ok 11255
189: ok 11256
189: ok 11257
189: ok 11258
189: ok 11259
189: ok 11260
189: ok 11261
189: ok 11262
189: ok 11263
189: ok 11264
189: ok 11265
189: ok 11266
189: ok 11267
189: ok 11268
189: ok 11269
189: ok 11270
189: ok 11271
189: ok 11272
189: ok 11273
189: ok 11274
189: ok 11275
189: ok 11276
189: ok 11277
189: ok 11278
189: ok 11279
189: ok 11280
189: ok 11281
189: ok 11282
189: ok 11283
189: ok 11284
189: ok 11285
189: ok 11286
189: ok 11287
189: ok 11288
189: ok 11289
189: ok 11290
189: ok 11291
189: ok 11292
189: ok 11293
189: ok 11294
189: ok 11295
189: ok 11296
189: ok 11297
189: ok 11298
189: ok 11299
189: ok 11300
189: ok 11301
189: ok 11302
189: ok 11303
189: ok 11304
189: ok 11305
189: ok 11306
189: ok 11307
189: ok 11308
189: ok 11309
189: ok 11310
189: ok 11311
189: ok 11312
189: ok 11313
189: ok 11314
189: ok 11315
189: ok 11316
189: ok 11317
189: ok 11318
189: ok 11319
189: ok 11320
189: ok 11321
189: ok 11322
189: ok 11323
189: ok 11324
189: ok 11325
189: ok 11326
189: ok 11327
189: ok 11328
189: ok 11329
189: ok 11330
189: ok 11331
189: ok 11332
189: ok 11333
189: ok 11334
189: ok 11335
189: ok 11336
189: ok 11337
189: ok 11338
189: ok 11339
189: ok 11340
189: ok 11341
189: ok 11342
189: ok 11343
189: ok 11344
189: ok 11345
189: ok 11346
189: ok 11347
189: ok 11348
189: ok 11349
189: ok 11350
189: ok 11351
189: ok 11352
189: ok 11353
189: ok 11354
189: ok 11355
189: ok 11356
189: ok 11357
189: ok 11358
189: ok 11359
189: ok 11360
189: ok 11361
189: ok 11362
189: ok 11363
189: ok 11364
189: ok 11365
189: ok 11366
189: ok 11367
189: ok 11368
189: ok 11369
189: ok 11370
189: ok 11371
189: ok 11372
189: ok 11373
189: ok 11374
189: ok 11375
189: ok 11376
189: ok 11377
189: ok 11378
189: ok 11379
189: ok 11380
189: ok 11381
189: ok 11382
189: ok 11383
189: ok 11384
189: ok 11385
189: ok 11386
189: ok 11387
189: ok 11388
189: ok 11389
189: ok 11390
189: ok 11391
189: ok 11392
189: ok 11393
189: ok 11394
189: ok 11395
189: ok 11396
189: ok 11397
189: ok 11398
189: ok 11399
189: ok 11400
189: ok 11401
189: ok 11402
189: ok 11403
189: ok 11404
189: ok 11405
189: ok 11406
189: ok 11407
189: ok 11408
189: ok 11409
189: ok 11410
189: ok 11411
189: ok 11412
189: ok 11413
189: ok 11414
189: ok 11415
189: ok 11416
189: ok 11417
189: ok 11418
189: ok 11419
189: ok 11420
189: ok 11421
189: ok 11422
189: ok 11423
189: ok 11424
189: ok 11425
189: ok 11426
189: ok 11427
189: ok 11428
189: ok 11429
189: ok 11430
189: ok 11431
189: ok 11432
189: ok 11433
189: ok 11434
189: ok 11435
189: ok 11436
189: ok 11437
189: ok 11438
189: ok 11439
189: ok 11440
189: ok 11441
189: ok 11442
189: ok 11443
189: ok 11444
189: ok 11445
189: ok 11446
189: ok 11447
189: ok 11448
189: ok 11449
189: ok 11450
189: ok 11451
189: ok 11452
189: ok 11453
189: ok 11454
189: ok 11455
189: ok 11456
189: ok 11457
189: ok 11458
189: ok 11459
189: ok 11460
189: ok 11461
189: ok 11462
189: ok 11463
189: ok 11464
189: ok 11465
189: ok 11466
189: ok 11467
189: ok 11468
189: ok 11469
189: ok 11470
189: ok 11471
189: ok 11472
189: ok 11473
189: ok 11474
189: ok 11475
189: ok 11476
189: ok 11477
189: ok 11478
189: ok 11479
189: ok 11480
189: ok 11481
189: ok 11482
189: ok 11483
189: ok 11484
189: ok 11485
189: ok 11486
189: ok 11487
189: ok 11488
189: ok 11489
189: ok 11490
189: ok 11491
189: ok 11492
189: ok 11493
189: ok 11494
189: ok 11495
189: ok 11496
189: ok 11497
189: ok 11498
189: ok 11499
189: ok 11500
189: ok 11501
189: ok 11502
189: ok 11503
189: ok 11504
189: ok 11505
189: ok 11506
189: ok 11507
189: ok 11508
189: ok 11509
189: ok 11510
189: ok 11511
189: ok 11512
189: ok 11513
189: ok 11514
189: ok 11515
189: ok 11516
189: ok 11517
189: ok 11518
189: ok 11519
189: ok 11520
189: ok 11521
189: ok 11522
189: ok 11523
189: ok 11524
189: ok 11525
189: ok 11526
189: ok 11527
189: ok 11528
189: ok 11529
189: ok 11530
189: ok 11531
189: ok 11532
189: ok 11533
189: ok 11534
189: ok 11535
189: ok 11536
189: ok 11537
189: ok 11538
189: ok 11539
189: ok 11540
189: ok 11541
189: ok 11542
189: ok 11543
189: ok 11544
189: ok 11545
189: ok 11546
189: ok 11547
189: ok 11548
189: ok 11549
189: ok 11550
189: ok 11551
189: ok 11552
189: ok 11553
189: ok 11554
189: ok 11555
189: ok 11556
189: ok 11557
189: ok 11558
189: ok 11559
189: ok 11560
189: ok 11561
189: ok 11562
189: ok 11563
189: ok 11564
189: ok 11565
189: ok 11566
189: ok 11567
189: ok 11568
189: ok 11569
189: ok 11570
189: ok 11571
189: ok 11572
189: ok 11573
189: ok 11574
189: ok 11575
189: ok 11576
189: ok 11577
189: ok 11578
189: ok 11579
189: ok 11580
189: ok 11581
189: ok 11582
189: ok 11583
189: ok 11584
189: ok 11585
189: ok 11586
189: ok 11587
189: ok 11588
189: ok 11589
189: ok 11590
189: ok 11591
189: ok 11592
189: ok 11593
189: ok 11594
189: ok 11595
189: ok 11596
189: ok 11597
189: ok 11598
189: ok 11599
189: ok 11600
189: ok 11601
189: ok 11602
189: ok 11603
189: ok 11604
189: ok 11605
189: ok 11606
189: ok 11607
189: ok 11608
189: ok 11609
189: ok 11610
189: ok 11611
189: ok 11612
189: ok 11613
189: ok 11614
189: ok 11615
189: ok 11616
189: ok 11617
189: ok 11618
189: ok 11619
189: ok 11620
189: ok 11621
189: ok 11622
189: ok 11623
189: ok 11624
189: ok 11625
189: ok 11626
189: ok 11627
189: ok 11628
189: ok 11629
189: ok 11630
189: ok 11631
189: ok 11632
189: ok 11633
189: ok 11634
189: ok 11635
189: ok 11636
189: ok 11637
189: ok 11638
189: ok 11639
189: ok 11640
189: ok 11641
189: ok 11642
189: ok 11643
189: ok 11644
189: ok 11645
189: ok 11646
189: ok 11647
189: ok 11648
189: ok 11649
189: ok 11650
189: ok 11651
189: ok 11652
189: ok 11653
189: ok 11654
189: ok 11655
189: ok 11656
189: ok 11657
189: ok 11658
189: ok 11659
189: ok 11660
189: ok 11661
189: ok 11662
189: ok 11663
189: ok 11664
189: ok 11665
189: ok 11666
189: ok 11667
189: ok 11668
189: ok 11669
189: ok 11670
189: ok 11671
189: ok 11672
189: ok 11673
189: ok 11674
189: ok 11675
189: ok 11676
189: ok 11677
189: ok 11678
189: ok 11679
189: ok 11680
189: ok 11681
189: ok 11682
189: ok 11683
189: ok 11684
189: ok 11685
189: ok 11686
189: ok 11687
189: ok 11688
189: ok 11689
189: ok 11690
189: ok 11691
189: ok 11692
189: ok 11693
189: ok 11694
189: ok 11695
189: ok 11696
189: ok 11697
189: ok 11698
189: ok 11699
189: ok 11700
189: ok 11701
189: ok 11702
189: ok 11703
189: ok 11704
189: ok 11705
189: ok 11706
189: ok 11707
189: ok 11708
189: ok 11709
189: ok 11710
189: ok 11711
189: ok 11712
189: ok 11713
189: ok 11714
189: ok 11715
189: ok 11716
189: ok 11717
189: ok 11718
189: ok 11719
189: ok 11720
189: ok 11721
189: ok 11722
189: ok 11723
189: ok 11724
189: ok 11725
189: ok 11726
189: ok 11727
189: ok 11728
189: ok 11729
189: ok 11730
189: ok 11731
189: ok 11732
189: ok 11733
189: ok 11734
189: ok 11735
189: ok 11736
189: ok 11737
189: ok 11738
189: ok 11739
189: ok 11740
189: ok 11741
189: ok 11742
189: ok 11743
189: ok 11744
189: ok 11745
189: ok 11746
189: ok 11747
189: ok 11748
189: ok 11749
189: ok 11750
189: ok 11751
189: ok 11752
189: ok 11753
189: ok 11754
189: ok 11755
189: ok 11756
189: ok 11757
189: ok 11758
189: ok 11759
189: ok 11760
189: ok 11761
189: ok 11762
189: ok 11763
189: ok 11764
189: ok 11765
189: ok 11766
189: ok 11767
189: ok 11768
189: ok 11769
189: ok 11770
189: ok 11771
189: ok 11772
189: ok 11773
189: ok 11774
189: ok 11775
189: ok 11776
189: ok 11777
189: ok 11778
189: ok 11779
189: ok 11780
189: ok 11781
189: ok 11782
189: ok 11783
189: ok 11784
189: ok 11785
189: ok 11786
189: ok 11787
189: ok 11788
189: ok 11789
189: ok 11790
189: ok 11791
189: ok 11792
189: ok 11793
189: ok 11794
189: ok 11795
189: ok 11796
189: ok 11797
189: ok 11798
189: ok 11799
189: ok 11800
189: ok 11801
189: ok 11802
189: ok 11803
189: ok 11804
189: ok 11805
189: ok 11806
189: ok 11807
189: ok 11808
189: ok 11809
189: ok 11810
189: ok 11811
189: ok 11812
189: ok 11813
189: ok 11814
189: ok 11815
189: ok 11816
189: ok 11817
189: ok 11818
189: ok 11819
189: ok 11820
189: ok 11821
189: ok 11822
189: ok 11823
189: ok 11824
189: ok 11825
189: ok 11826
189: ok 11827
189: ok 11828
189: ok 11829
189: ok 11830
189: ok 11831
189: ok 11832
189: ok 11833
189: ok 11834
189: ok 11835
189: ok 11836
189: ok 11837
189: ok 11838
189: ok 11839
189: ok 11840
189: ok 11841
189: ok 11842
189: ok 11843
189: ok 11844
189: ok 11845
189: ok 11846
189: ok 11847
189: ok 11848
189: ok 11849
189: ok 11850
189: ok 11851
189: ok 11852
189: ok 11853
189: ok 11854
189: ok 11855
189: ok 11856
189: ok 11857
189: ok 11858
189: ok 11859
189: ok 11860
189: ok 11861
189: ok 11862
189: ok 11863
189: ok 11864
189: ok 11865
189: ok 11866
189: ok 11867
189: ok 11868
189: ok 11869
189: ok 11870
189: ok 11871
189: ok 11872
189: ok 11873
189: ok 11874
189: ok 11875
189: ok 11876
189: ok 11877
189: ok 11878
189: ok 11879
189: ok 11880
189: ok 11881
189: ok 11882
189: ok 11883
189: ok 11884
189: ok 11885
189: ok 11886
189: ok 11887
189: ok 11888
189: ok 11889
189: ok 11890
189: ok 11891
189: ok 11892
189: ok 11893
189: ok 11894
189: ok 11895
189: ok 11896
189: ok 11897
189: ok 11898
189: ok 11899
189: ok 11900
189: ok 11901
189: ok 11902
189: ok 11903
189: ok 11904
189: ok 11905
189: ok 11906
189: ok 11907
189: ok 11908
189: ok 11909
189: ok 11910
189: ok 11911
189: ok 11912
189: ok 11913
189: ok 11914
189: ok 11915
189: ok 11916
189: ok 11917
189: ok 11918
189: ok 11919
189: ok 11920
189: ok 11921
189: ok 11922
189: ok 11923
189: ok 11924
189: ok 11925
189: ok 11926
189: ok 11927
189: ok 11928
189: ok 11929
189: ok 11930
189: ok 11931
189: ok 11932
189: ok 11933
189: ok 11934
189: ok 11935
189: ok 11936
189: ok 11937
189: ok 11938
189: ok 11939
189: ok 11940
189: ok 11941
189: ok 11942
189: ok 11943
189: ok 11944
189: ok 11945
189: ok 11946
189: ok 11947
189: ok 11948
189: ok 11949
189: ok 11950
189: ok 11951
189: ok 11952
189: ok 11953
189: ok 11954
189: ok 11955
189: ok 11956
189: ok 11957
189: ok 11958
189: ok 11959
189: ok 11960
189: ok 11961
189: ok 11962
189: ok 11963
189: ok 11964
189: ok 11965
189: ok 11966
189: ok 11967
189: ok 11968
189: ok 11969
189: ok 11970
189: ok 11971
189: ok 11972
189: ok 11973
189: ok 11974
189: ok 11975
189: ok 11976
189: ok 11977
189: ok 11978
189: ok 11979
189: ok 11980
189: ok 11981
189: ok 11982
189: ok 11983
189: ok 11984
189: ok 11985
189: ok 11986
189: ok 11987
189: ok 11988
189: ok 11989
189: ok 11990
189: ok 11991
189: ok 11992
189: ok 11993
189: ok 11994
189: ok 11995
189: ok 11996
189: ok 11997
189: ok 11998
189: ok 11999
189: ok 12000
189: ok 12001
189: ok 12002
189: ok 12003
189: ok 12004
189: ok 12005
189: ok 12006
189: ok 12007
189: ok 12008
189: ok 12009
189: ok 12010
189: ok 12011
189: ok 12012
189: ok 12013
189: ok 12014
189: ok 12015
189: ok 12016
189: ok 12017
189: ok 12018
189: ok 12019
189: ok 12020
189: ok 12021
189: ok 12022
189: ok 12023
189: ok 12024
189: ok 12025
189: ok 12026
189: ok 12027
189: ok 12028
189: ok 12029
189: ok 12030
189: ok 12031
189: ok 12032
189: ok 12033
189: ok 12034
189: ok 12035
189: ok 12036
189: ok 12037
189: ok 12038
189: ok 12039
189: ok 12040
189: ok 12041
189: ok 12042
189: ok 12043
189: ok 12044
189: ok 12045
189: ok 12046
189: ok 12047
189: ok 12048
189: ok 12049
189: ok 12050
189: ok 12051
189: ok 12052
189: ok 12053
189: ok 12054
189: ok 12055
189: ok 12056
189: ok 12057
189: ok 12058
189: ok 12059
189: ok 12060
189: ok 12061
189: ok 12062
189: ok 12063
189: ok 12064
189: ok 12065
189: ok 12066
189: ok 12067
189: ok 12068
189: ok 12069
189: ok 12070
189: ok 12071
189: ok 12072
189: ok 12073
189: ok 12074
189: ok 12075
189: ok 12076
189: ok 12077
189: ok 12078
189: ok 12079
189: ok 12080
189: ok 12081
189: ok 12082
189: ok 12083
189: ok 12084
189: ok 12085
189: ok 12086
189: ok 12087
189: ok 12088
189: ok 12089
189: ok 12090
189: ok 12091
189: ok 12092
189: ok 12093
189: ok 12094
189: ok 12095
189: ok 12096
189: ok 12097
189: ok 12098
189: ok 12099
189: ok 12100
189: ok 12101
189: ok 12102
189: ok 12103
189: ok 12104
189: ok 12105
189: ok 12106
189: ok 12107
189: ok 12108
189: ok 12109
189: ok 12110
189: ok 12111
189: ok 12112
189: ok 12113
189: ok 12114
189: ok 12115
189: ok 12116
189: ok 12117
189: ok 12118
189: ok 12119
189: ok 12120
189: ok 12121
189: ok 12122
189: ok 12123
189: ok 12124
189: ok 12125
189: ok 12126
189: ok 12127
189: ok 12128
189: ok 12129
189: ok 12130
189: ok 12131
189: ok 12132
189: ok 12133
189: ok 12134
189: ok 12135
189: ok 12136
189: ok 12137
189: ok 12138
189: ok 12139
189: ok 12140
189: ok 12141
189: ok 12142
189: ok 12143
189: ok 12144
189: ok 12145
189: ok 12146
189: ok 12147
189: ok 12148
189: ok 12149
189: ok 12150
189: ok 12151
189: ok 12152
189: ok 12153
189: ok 12154
189: ok 12155
189: ok 12156
189: ok 12157
189: ok 12158
189: ok 12159
189: ok 12160
189: ok 12161
189: ok 12162
189: ok 12163
189: ok 12164
189: ok 12165
189: ok 12166
189: ok 12167
189: ok 12168
189: ok 12169
189: ok 12170
189: ok 12171
189: ok 12172
189: ok 12173
189: ok 12174
189: ok 12175
189: ok 12176
189: ok 12177
189: ok 12178
189: ok 12179
189: ok 12180
189: ok 12181
189: ok 12182
189: ok 12183
189: ok 12184
189: ok 12185
189: ok 12186
189: ok 12187
189: ok 12188
189: ok 12189
189: ok 12190
189: ok 12191
189: ok 12192
189: ok 12193
189: ok 12194
189: ok 12195
189: ok 12196
189: ok 12197
189: ok 12198
189: ok 12199
189: ok 12200
189: ok 12201
189: ok 12202
189: ok 12203
189: ok 12204
189: ok 12205
189: ok 12206
189: ok 12207
189: ok 12208
189: ok 12209
189: ok 12210
189: ok 12211
189: ok 12212
189: ok 12213
189: ok 12214
189: ok 12215
189: ok 12216
189: ok 12217
189: ok 12218
189: ok 12219
189: ok 12220
189: ok 12221
189: ok 12222
189: ok 12223
189: ok 12224
189: ok 12225
189: ok 12226
189: ok 12227
189: ok 12228
189: ok 12229
189: ok 12230
189: ok 12231
189: ok 12232
189: ok 12233
189: ok 12234
189: ok 12235
189: ok 12236
189: ok 12237
189: ok 12238
189: ok 12239
189: ok 12240
189: ok 12241
189: ok 12242
189: ok 12243
189: ok 12244
189: ok 12245
189: ok 12246
189: ok 12247
189: ok 12248
189: ok 12249
189: ok 12250
189: ok 12251
189: ok 12252
189: ok 12253
189: ok 12254
189: ok 12255
189: ok 12256
189: ok 12257
189: ok 12258
189: ok 12259
189: ok 12260
189: ok 12261
189: ok 12262
189: ok 12263
189: ok 12264
189: ok 12265
189: ok 12266
189: ok 12267
189: ok 12268
189: ok 12269
189: ok 12270
189: ok 12271
189: ok 12272
189: ok 12273
189: ok 12274
189: ok 12275
189: ok 12276
189: ok 12277
189: ok 12278
189: ok 12279
189: ok 12280
189: ok 12281
189: ok 12282
189: ok 12283
189: ok 12284
189: ok 12285
189: ok 12286
189: ok 12287
189: ok 12288
189: ok 12289
189: ok 12290
189: ok 12291
189: ok 12292
189: ok 12293
189: ok 12294
189: ok 12295
189: ok 12296
189: ok 12297
189: ok 12298
189: ok 12299
189: ok 12300
189: ok 12301
189: ok 12302
189: ok 12303
189: ok 12304
189: ok 12305
189: ok 12306
189: ok 12307
189: ok 12308
189: ok 12309
189: ok 12310
189: ok 12311
189: ok 12312
189: ok 12313
189: ok 12314
189: ok 12315
189: ok 12316
189: ok 12317
189: ok 12318
189: ok 12319
189: ok 12320
189: ok 12321
189: ok 12322
189: ok 12323
189: ok 12324
189: ok 12325
189: ok 12326
189: ok 12327
189: ok 12328
189: ok 12329
189: ok 12330
189: ok 12331
189: ok 12332
189: ok 12333
189: ok 12334
189: ok 12335
189: ok 12336
189: ok 12337
189: ok 12338
189: ok 12339
189: ok 12340
189: ok 12341
189: ok 12342
189: ok 12343
189: ok 12344
189: ok 12345
189: ok 12346
189: ok 12347
189: ok 12348
189: ok 12349
189: ok 12350
189: ok 12351
189: ok 12352
189: ok 12353
189: ok 12354
189: ok 12355
189: ok 12356
189: ok 12357
189: ok 12358
189: ok 12359
189: ok 12360
189: ok 12361
189: ok 12362
189: ok 12363
189: ok 12364
189: ok 12365
189: ok 12366
189: ok 12367
189: ok 12368
189: ok 12369
189: ok 12370
189: ok 12371
189: ok 12372
189: ok 12373
189: ok 12374
189: ok 12375
189: ok 12376
189: ok 12377
189: ok 12378
189: ok 12379
189: ok 12380
189: ok 12381
189: ok 12382
189: ok 12383
189: ok 12384
189: ok 12385
189: ok 12386
189: ok 12387
189: ok 12388
189: ok 12389
189: ok 12390
189: ok 12391
189: ok 12392
189: ok 12393
189: ok 12394
189: ok 12395
189: ok 12396
189: ok 12397
189: ok 12398
189: ok 12399
189: ok 12400
189: ok 12401
189: ok 12402
189: ok 12403
189: ok 12404
189: ok 12405
189: ok 12406
189: ok 12407
189: ok 12408
189: ok 12409
189: ok 12410
189: ok 12411
189: ok 12412
189: ok 12413
189: ok 12414
189: ok 12415
189: ok 12416
189: ok 12417
189: ok 12418
189: ok 12419
189: ok 12420
189: ok 12421
189: ok 12422
189: ok 12423
189: ok 12424
189: ok 12425
189: ok 12426
189: ok 12427
189: ok 12428
189: ok 12429
189: ok 12430
189: ok 12431
189: ok 12432
189: ok 12433
189: ok 12434
189: ok 12435
189: ok 12436
189: ok 12437
189: ok 12438
189: ok 12439
189: ok 12440
189: ok 12441
189: ok 12442
189: ok 12443
189: ok 12444
189: ok 12445
189: ok 12446
189: ok 12447
189: ok 12448
189: ok 12449
189: ok 12450
189: ok 12451
189: ok 12452
189: ok 12453
189: ok 12454
189: ok 12455
189: ok 12456
189: ok 12457
189: ok 12458
189: ok 12459
189: ok 12460
189: ok 12461
189: ok 12462
189: ok 12463
189: ok 12464
189: ok 12465
189: ok 12466
189: ok 12467
189: ok 12468
189: ok 12469
189: ok 12470
189: ok 12471
189: ok 12472
189: ok 12473
189: ok 12474
189: ok 12475
189: ok 12476
189: ok 12477
189: ok 12478
189: ok 12479
189: ok 12480
189: ok 12481
189: ok 12482
189: ok 12483
189: ok 12484
189: ok 12485
189: ok 12486
189: ok 12487
189: ok 12488
189: ok 12489
189: ok 12490
189: ok 12491
189: ok 12492
189: ok 12493
189: ok 12494
189: ok 12495
189: ok 12496
189: ok 12497
189: ok 12498
189: ok 12499
189: ok 12500
189: ok 12501
189: ok 12502
189: ok 12503
189: ok 12504
189: ok 12505
189: ok 12506
189: ok 12507
189: ok 12508
189: ok 12509
189: ok 12510
189: ok 12511
189: ok 12512
189: ok 12513
189: ok 12514
189: ok 12515
189: ok 12516
189: ok 12517
189: ok 12518
189: ok 12519
189: ok 12520
189: ok 12521
189: ok 12522
189: ok 12523
189: ok 12524
189: ok 12525
189: ok 12526
189: ok 12527
189: ok 12528
189: ok 12529
189: ok 12530
189: ok 12531
189: ok 12532
189: ok 12533
189: ok 12534
189: ok 12535
189: ok 12536
189: ok 12537
189: ok 12538
189: ok 12539
189: ok 12540
189: ok 12541
189: ok 12542
189: ok 12543
189: ok 12544
189: ok 12545
189: ok 12546
189: ok 12547
189: ok 12548
189: ok 12549
189: ok 12550
189: ok 12551
189: ok 12552
189: ok 12553
189: ok 12554
189: ok 12555
189: ok 12556
189: ok 12557
189: ok 12558
189: ok 12559
189: ok 12560
189: ok 12561
189: ok 12562
189: ok 12563
189: ok 12564
189: ok 12565
189: ok 12566
189: ok 12567
189: ok 12568
189: ok 12569
189: ok 12570
189: ok 12571
189: ok 12572
189: ok 12573
189: ok 12574
189: ok 12575
189: ok 12576
189: ok 12577
189: ok 12578
189: ok 12579
189: ok 12580
189: ok 12581
189: ok 12582
189: ok 12583
189: ok 12584
189: ok 12585
189: ok 12586
189: ok 12587
189: ok 12588
189: ok 12589
189: ok 12590
189: ok 12591
189: ok 12592
189: ok 12593
189: ok 12594
189: ok 12595
189: ok 12596
189: ok 12597
189: ok 12598
189: ok 12599
189: ok 12600
189: ok 12601
189: ok 12602
189: ok 12603
189: ok 12604
189: ok 12605
189: ok 12606
189: ok 12607
189: ok 12608
189: ok 12609
189: ok 12610
189: ok 12611
189: ok 12612
189: ok 12613
189: ok 12614
189: ok 12615
189: ok 12616
189: ok 12617
189: ok 12618
189: ok 12619
189: ok 12620
189: ok 12621
189: ok 12622
189: ok 12623
189: ok 12624
189: ok 12625
189: ok 12626
189: ok 12627
189: ok 12628
189: ok 12629
189: ok 12630
189: ok 12631
189: ok 12632
189: ok 12633
189: ok 12634
189: ok 12635
189: ok 12636
189: ok 12637
189: ok 12638
189: ok 12639
189: ok 12640
189: ok 12641
189: ok 12642
189: ok 12643
189: ok 12644
189: ok 12645
189: ok 12646
189: ok 12647
189: ok 12648
189: ok 12649
189: ok 12650
189: ok 12651
189: ok 12652
189: ok 12653
189: ok 12654
189: ok 12655
189: ok 12656
189: ok 12657
189: ok 12658
189: ok 12659
189: ok 12660
189: ok 12661
189: ok 12662
189: ok 12663
189: ok 12664
189: ok 12665
189: ok 12666
189: ok 12667
189: ok 12668
189: ok 12669
189: ok 12670
189: ok 12671
189: ok 12672
189: ok 12673
189: ok 12674
189: ok 12675
189: ok 12676
189: ok 12677
189: ok 12678
189: ok 12679
189: ok 12680
189: ok 12681
189: ok 12682
189: ok 12683
189: ok 12684
189: ok 12685
189: ok 12686
189: ok 12687
189: ok 12688
189: ok 12689
189: ok 12690
189: ok 12691
189: ok 12692
189: ok 12693
189: ok 12694
189: ok 12695
189: ok 12696
189: ok 12697
189: ok 12698
189: ok 12699
189: ok 12700
189: ok 12701
189: ok 12702
189: ok 12703
189: ok 12704
189: ok 12705
189: ok 12706
189: ok 12707
189: ok 12708
189: ok 12709
189: ok 12710
189: ok 12711
189: ok 12712
189: ok 12713
189: ok 12714
189: ok 12715
189: ok 12716
189: ok 12717
189: ok 12718
189: ok 12719
189: ok 12720
189: ok 12721
189: ok 12722
189: ok 12723
189: ok 12724
189: ok 12725
189: ok 12726
189: ok 12727
189: ok 12728
189: ok 12729
189: ok 12730
189: ok 12731
189: ok 12732
189: ok 12733
189: ok 12734
189: ok 12735
189: ok 12736
189: ok 12737
189: ok 12738
189: ok 12739
189: ok 12740
189: ok 12741
189: ok 12742
189: ok 12743
189: ok 12744
189: ok 12745
189: ok 12746
189: ok 12747
189: ok 12748
189: ok 12749
189: ok 12750
189: ok 12751
189: ok 12752
189: ok 12753
189: ok 12754
189: ok 12755
189: ok 12756
189: ok 12757
189: ok 12758
189: ok 12759
189: ok 12760
189: ok 12761
189: ok 12762
189: ok 12763
189: ok 12764
189: ok 12765
189: ok 12766
189: ok 12767
189: ok 12768
189: ok 12769
189: ok 12770
189: ok 12771
189: ok 12772
189: ok 12773
189: ok 12774
189: ok 12775
189: ok 12776
189: ok 12777
189: ok 12778
189: ok 12779
189: ok 12780
189: ok 12781
189: ok 12782
189: ok 12783
189: ok 12784
189: ok 12785
189: ok 12786
189: ok 12787
189: ok 12788
189: ok 12789
189: ok 12790
189: ok 12791
189: ok 12792
189: ok 12793
189: ok 12794
189: ok 12795
189: ok 12796
189: ok 12797
189: ok 12798
189: ok 12799
189: ok 12800
189: ok 12801
189: ok 12802
189: ok 12803
189: ok 12804
189: ok 12805
189: ok 12806
189: ok 12807
189: ok 12808
189: ok 12809
189: ok 12810
189: ok 12811
189: ok 12812
189: ok 12813
189: ok 12814
189: ok 12815
189: ok 12816
189: ok 12817
189: ok 12818
189: ok 12819
189: ok 12820
189: ok 12821
189: ok 12822
189: ok 12823
189: ok 12824
189: ok 12825
189: ok 12826
189: ok 12827
189: ok 12828
189: ok 12829
189: ok 12830
189: ok 12831
189: ok 12832
189: ok 12833
189: ok 12834
189: ok 12835
189: ok 12836
189: ok 12837
189: ok 12838
189: ok 12839
189: ok 12840
189: ok 12841
189: ok 12842
189: ok 12843
189: ok 12844
189: ok 12845
189: ok 12846
189: ok 12847
189: ok 12848
189: ok 12849
189: ok 12850
189: ok 12851
189: ok 12852
189: ok 12853
189: ok 12854
189: ok 12855
189: ok 12856
189: ok 12857
189: ok 12858
189: ok 12859
189: ok 12860
189: ok 12861
189: ok 12862
189: ok 12863
189: ok 12864
189: ok 12865
189: ok 12866
189: ok 12867
189: ok 12868
189: ok 12869
189: ok 12870
189: ok 12871
189: ok 12872
189: ok 12873
189: ok 12874
189: ok 12875
189: ok 12876
189: ok 12877
189: ok 12878
189: ok 12879
189: ok 12880
189: ok 12881
189: ok 12882
189: ok 12883
189: ok 12884
189: ok 12885
189: ok 12886
189: ok 12887
189: ok 12888
189: ok 12889
189: ok 12890
189: ok 12891
189: ok 12892
189: ok 12893
189: ok 12894
189: ok 12895
189: ok 12896
189: ok 12897
189: ok 12898
189: ok 12899
189: ok 12900
189: ok 12901
189: ok 12902
189: ok 12903
189: ok 12904
189: ok 12905
189: ok 12906
189: ok 12907
189: ok 12908
189: ok 12909
189: ok 12910
189: ok 12911
189: ok 12912
189: ok 12913
189: ok 12914
189: ok 12915
189: ok 12916
189: ok 12917
189: ok 12918
189: ok 12919
189: ok 12920
189: ok 12921
189: ok 12922
189: ok 12923
189: ok 12924
189: ok 12925
189: ok 12926
189: ok 12927
189: ok 12928
189: ok 12929
189: ok 12930
189: ok 12931
189: ok 12932
189: ok 12933
189: ok 12934
189: ok 12935
189: ok 12936
189: ok 12937
189: ok 12938
189: ok 12939
189: ok 12940
189: ok 12941
189: ok 12942
189: ok 12943
189: ok 12944
189: ok 12945
189: ok 12946
189: ok 12947
189: ok 12948
189: ok 12949
189: ok 12950
189: ok 12951
189: ok 12952
189: ok 12953
189: ok 12954
189: ok 12955
189: ok 12956
189: ok 12957
189: ok 12958
189: ok 12959
189: ok 12960
189: ok 12961
189: ok 12962
189: ok 12963
189: ok 12964
189: ok 12965
189: ok 12966
189: ok 12967
189: ok 12968
189: ok 12969
189: ok 12970
189: ok 12971
189: ok 12972
189: ok 12973
189: ok 12974
189: ok 12975
189: ok 12976
189: ok 12977
189: ok 12978
189: ok 12979
189: ok 12980
189: ok 12981
189: ok 12982
189: ok 12983
189: ok 12984
189: ok 12985
189: ok 12986
189: ok 12987
189: ok 12988
189: ok 12989
189: ok 12990
189: ok 12991
189: ok 12992
189: ok 12993
189: ok 12994
189: ok 12995
189: ok 12996
189: ok 12997
189: ok 12998
189: ok 12999
189: ok 13000
189: ok 13001
189: ok 13002
189: ok 13003
189: ok 13004
189: ok 13005
189: ok 13006
189: ok 13007
189: ok 13008
189: ok 13009
189: ok 13010
189: ok 13011
189: ok 13012
189: ok 13013
189: ok 13014
189: ok 13015
189: ok 13016
189: ok 13017
189: ok 13018
189: ok 13019
189: ok 13020
189: ok 13021
189: ok 13022
189: ok 13023
189: ok 13024
189: ok 13025
189: ok 13026
189: ok 13027
189: ok 13028
189: ok 13029
189: ok 13030
189: ok 13031
189: ok 13032
189: ok 13033
189: ok 13034
189: ok 13035
189: ok 13036
189: ok 13037
189: ok 13038
189: ok 13039
189: ok 13040
189: ok 13041
189: ok 13042
189: ok 13043
189: ok 13044
189: ok 13045
189: ok 13046
189: ok 13047
189: ok 13048
189: ok 13049
189: ok 13050
189: ok 13051
189: ok 13052
189: ok 13053
189: ok 13054
189: ok 13055
189: ok 13056
189: ok 13057
189: ok 13058
189: ok 13059
189: ok 13060
189: ok 13061
189: ok 13062
189: ok 13063
189: ok 13064
189: ok 13065
189: ok 13066
189: ok 13067
189: ok 13068
189: ok 13069
189: ok 13070
189: ok 13071
189: ok 13072
189: ok 13073
189: ok 13074
189: ok 13075
189: ok 13076
189: ok 13077
189: ok 13078
189: ok 13079
189: ok 13080
189: ok 13081
189: ok 13082
189: ok 13083
189: ok 13084
189: ok 13085
189: ok 13086
189: ok 13087
189: ok 13088
189: ok 13089
189: ok 13090
189: ok 13091
189: ok 13092
189: ok 13093
189: ok 13094
189: ok 13095
189: ok 13096
189: ok 13097
189: ok 13098
189: ok 13099
189: ok 13100
189: ok 13101
189: ok 13102
189: ok 13103
189: ok 13104
189: ok 13105
189: ok 13106
189: ok 13107
189: ok 13108
189: ok 13109
189: ok 13110
189: ok 13111
189: ok 13112
189: ok 13113
189: ok 13114
189: ok 13115
189: ok 13116
189: ok 13117
189: ok 13118
189: ok 13119
189: ok 13120
189: ok 13121
189: ok 13122
189: ok 13123
189: ok 13124
189: ok 13125
189: ok 13126
189: ok 13127
189: ok 13128
189: ok 13129
189: ok 13130
189: ok 13131
189: ok 13132
189: ok 13133
189: ok 13134
189: ok 13135
189: ok 13136
189: ok 13137
189: ok 13138
189: ok 13139
189: ok 13140
189: ok 13141
189: ok 13142
189: ok 13143
189: ok 13144
189: ok 13145
189: ok 13146
189: ok 13147
189: ok 13148
189: ok 13149
189: ok 13150
189: ok 13151
189: ok 13152
189: ok 13153
189: ok 13154
189: ok 13155
189: ok 13156
189: ok 13157
189: ok 13158
189: ok 13159
189: ok 13160
189: ok 13161
189: ok 13162
189: ok 13163
189: ok 13164
189: ok 13165
189: ok 13166
189: ok 13167
189: ok 13168
189: ok 13169
189: ok 13170
189: ok 13171
189: ok 13172
189: ok 13173
189: ok 13174
189: ok 13175
189: ok 13176
189: ok 13177
189: ok 13178
189: ok 13179
189: ok 13180
189: ok 13181
189: ok 13182
189: ok 13183
189: ok 13184
189: ok 13185
189: ok 13186
189: ok 13187
189: ok 13188
189: ok 13189
189: ok 13190
189: ok 13191
189: ok 13192
189: ok 13193
189: ok 13194
189: ok 13195
189: ok 13196
189: ok 13197
189: ok 13198
189: ok 13199
189: ok 13200
189: ok 13201
189: ok 13202
189: ok 13203
189: ok 13204
189: ok 13205
189: ok 13206
189: ok 13207
189: ok 13208
189: ok 13209
189: ok 13210
189: ok 13211
189: ok 13212
189: ok 13213
189: ok 13214
189: ok 13215
189: ok 13216
189: ok 13217
189: ok 13218
189: ok 13219
189: ok 13220
189: ok 13221
189: ok 13222
189: ok 13223
189: ok 13224
189: ok 13225
189: ok 13226
189: ok 13227
189: ok 13228
189: ok 13229
189: ok 13230
189: ok 13231
189: ok 13232
189: ok 13233
189: ok 13234
189: ok 13235
189: ok 13236
189: ok 13237
189: ok 13238
189: ok 13239
189: ok 13240
189: ok 13241
189: ok 13242
189: ok 13243
189: ok 13244
189: ok 13245
189: ok 13246
189: ok 13247
189: ok 13248
189: ok 13249
189: ok 13250
189: ok 13251
189: ok 13252
189: ok 13253
189: ok 13254
189: ok 13255
189: ok 13256
189: ok 13257
189: ok 13258
189: ok 13259
189: ok 13260
189: ok 13261
189: ok 13262
189: ok 13263
189: ok 13264
189: ok 13265
189: ok 13266
189: ok 13267
189: ok 13268
189: ok 13269
189: ok 13270
189: ok 13271
189: ok 13272
189: ok 13273
189: ok 13274
189: ok 13275
189: ok 13276
189: ok 13277
189: ok 13278
189: ok 13279
189: ok 13280
189: ok 13281
189: ok 13282
189: ok 13283
189: ok 13284
189: ok 13285
189: ok 13286
189: ok 13287
189: ok 13288
189: ok 13289
189: ok 13290
189: ok 13291
189: ok 13292
189: ok 13293
189: ok 13294
189: ok 13295
189: ok 13296
189: ok 13297
189: ok 13298
189: ok 13299
189: ok 13300
189: ok 13301
189: ok 13302
189: ok 13303
189: ok 13304
189: ok 13305
189: ok 13306
189: ok 13307
189: ok 13308
189: ok 13309
189: ok 13310
189: ok 13311
189: ok 13312
189: ok 13313
189: ok 13314
189: ok 13315
189: ok 13316
189: ok 13317
189: ok 13318
189: ok 13319
189: ok 13320
189: ok 13321
189: ok 13322
189: ok 13323
189: ok 13324
189: ok 13325
189: ok 13326
189: ok 13327
189: ok 13328
189: ok 13329
189: ok 13330
189: ok 13331
189: ok 13332
189: ok 13333
189: ok 13334
189: ok 13335
189: ok 13336
189: ok 13337
189: ok 13338
189: ok 13339
189: ok 13340
189: ok 13341
189: ok 13342
189: ok 13343
189: ok 13344
189: ok 13345
189: ok 13346
189: ok 13347
189: ok 13348
189: ok 13349
189: ok 13350
189: ok 13351
189: ok 13352
189: ok 13353
189: ok 13354
189: ok 13355
189: ok 13356
189: ok 13357
189: ok 13358
189: ok 13359
189: ok 13360
189: ok 13361
189: ok 13362
189: ok 13363
189: ok 13364
189: ok 13365
189: ok 13366
189: ok 13367
189: ok 13368
189: ok 13369
189: ok 13370
189: ok 13371
189: ok 13372
189: ok 13373
189: ok 13374
189: ok 13375
189: ok 13376
189: ok 13377
189: ok 13378
189: ok 13379
189: ok 13380
189: ok 13381
189: ok 13382
189: ok 13383
189: ok 13384
189: ok 13385
189: ok 13386
189: ok 13387
189: ok 13388
189: ok 13389
189: ok 13390
189: ok 13391
189: ok 13392
189: ok 13393
189: ok 13394
189: ok 13395
189: ok 13396
189: ok 13397
189: ok 13398
189: ok 13399
189: ok 13400
189: ok 13401
189: ok 13402
189: ok 13403
189: ok 13404
189: ok 13405
189: ok 13406
189: ok 13407
189: ok 13408
189: ok 13409
189: ok 13410
189: ok 13411
189: ok 13412
189: ok 13413
189: ok 13414
189: ok 13415
189: ok 13416
189: ok 13417
189: ok 13418
189: ok 13419
189: ok 13420
189: ok 13421
189: ok 13422
189: ok 13423
189: ok 13424
189: ok 13425
189: ok 13426
189: ok 13427
189: ok 13428
189: ok 13429
189: ok 13430
189: ok 13431
189: ok 13432
189: ok 13433
189: ok 13434
189: ok 13435
189: ok 13436
189: ok 13437
189: ok 13438
189: ok 13439
189: ok 13440
189: ok 13441
189: ok 13442
189: ok 13443
189: ok 13444
189: ok 13445
189: ok 13446
189: ok 13447
189: ok 13448
189: ok 13449
189: ok 13450
189: ok 13451
189: ok 13452
189: ok 13453
189: ok 13454
189: ok 13455
189: ok 13456
189: ok 13457
189: ok 13458
189: ok 13459
189: ok 13460
189: ok 13461
189: ok 13462
189: ok 13463
189: ok 13464
189: ok 13465
189: ok 13466
189: ok 13467
189: ok 13468
189: ok 13469
189: ok 13470
189: ok 13471
189: ok 13472
189: ok 13473
189: ok 13474
189: ok 13475
189: ok 13476
189: ok 13477
189: ok 13478
189: ok 13479
189: ok 13480
189: ok 13481
189: ok 13482
189: ok 13483
189: ok 13484
189: ok 13485
189: ok 13486
189: ok 13487
189: ok 13488
189: ok 13489
189: ok 13490
189: ok 13491
189: ok 13492
189: ok 13493
189: ok 13494
189: ok 13495
189: ok 13496
189: ok 13497
189: ok 13498
189: ok 13499
189: ok 13500
189: ok 13501
189: ok 13502
189: ok 13503
189: ok 13504
189: ok 13505
189: ok 13506
189: ok 13507
189: ok 13508
189: ok 13509
189: ok 13510
189: ok 13511
189: ok 13512
189: ok 13513
189: ok 13514
189: ok 13515
189: ok 13516
189: ok 13517
189: ok 13518
189: ok 13519
189: ok 13520
189: ok 13521
189: ok 13522
189: ok 13523
189: ok 13524
189: ok 13525
189: ok 13526
189: ok 13527
189: ok 13528
189: ok 13529
189: ok 13530
189: ok 13531
189: ok 13532
189: ok 13533
189: ok 13534
189: ok 13535
189: ok 13536
189: ok 13537
189: ok 13538
189: ok 13539
189: ok 13540
189: ok 13541
189: ok 13542
189: ok 13543
189: ok 13544
189: ok 13545
189: ok 13546
189: ok 13547
189: ok 13548
189: ok 13549
189: ok 13550
189: ok 13551
189: ok 13552
189: ok 13553
189: ok 13554
189: ok 13555
189: ok 13556
189: ok 13557
189: ok 13558
189: ok 13559
189: ok 13560
189: ok 13561
189: ok 13562
189: ok 13563
189: ok 13564
189: ok 13565
189: ok 13566
189: ok 13567
189: ok 13568
189: ok 13569
189: ok 13570
189: ok 13571
189: ok 13572
189: ok 13573
189: ok 13574
189: ok 13575
189: ok 13576
189: ok 13577
189: ok 13578
189: ok 13579
189: ok 13580
189: ok 13581
189: ok 13582
189: ok 13583
189: ok 13584
189: ok 13585
189: ok 13586
189: ok 13587
189: ok 13588
189: ok 13589
189: ok 13590
189: ok 13591
189: ok 13592
189: ok 13593
189: ok 13594
189: ok 13595
189: ok 13596
189: ok 13597
189: ok 13598
189: ok 13599
189: ok 13600
189: ok 13601
189: ok 13602
189: ok 13603
189: ok 13604
189: ok 13605
189: ok 13606
189: ok 13607
189: ok 13608
189: ok 13609
189: ok 13610
189: ok 13611
189: ok 13612
189: ok 13613
189: ok 13614
189: ok 13615
189: ok 13616
189: ok 13617
189: ok 13618
189: ok 13619
189: ok 13620
189: ok 13621
189: ok 13622
189: ok 13623
189: ok 13624
189: ok 13625
189: ok 13626
189: ok 13627
189: ok 13628
189: ok 13629
189: ok 13630
189: ok 13631
189: ok 13632
189: ok 13633
189: ok 13634
189: ok 13635
189: ok 13636
189: ok 13637
189: ok 13638
189: ok 13639
189: ok 13640
189: ok 13641
189: ok 13642
189: ok 13643
189: ok 13644
189: ok 13645
189: ok 13646
189: ok 13647
189: ok 13648
189: ok 13649
189: ok 13650
189: ok 13651
189: ok 13652
189: ok 13653
189: ok 13654
189: ok 13655
189: ok 13656
189: ok 13657
189: ok 13658
189: ok 13659
189: ok 13660
189: ok 13661
189: ok 13662
189: ok 13663
189: ok 13664
189: ok 13665
189: ok 13666
189: ok 13667
189: ok 13668
189: ok 13669
189: ok 13670
189: ok 13671
189: ok 13672
189: ok 13673
189: ok 13674
189: ok 13675
189: ok 13676
189: ok 13677
189: ok 13678
189: ok 13679
189: ok 13680
189: ok 13681
189: ok 13682
189: ok 13683
189: ok 13684
189: ok 13685
189: ok 13686
189: ok 13687
189: ok 13688
189: ok 13689
189: ok 13690
189: ok 13691
189: ok 13692
189: ok 13693
189: ok 13694
189: ok 13695
189: ok 13696
189: ok 13697
189: ok 13698
189: ok 13699
189: ok 13700
189: ok 13701
189: ok 13702
189: ok 13703
189: ok 13704
189: ok 13705
189: ok 13706
189: ok 13707
189: ok 13708
189: ok 13709
189: ok 13710
189: ok 13711
189: ok 13712
189: ok 13713
189: ok 13714
189: ok 13715
189: ok 13716
189: ok 13717
189: ok 13718
189: ok 13719
189: ok 13720
189: ok 13721
189: ok 13722
189: ok 13723
189: ok 13724
189: ok 13725
189: ok 13726
189: ok 13727
189: ok 13728
189: ok 13729
189: ok 13730
189: ok 13731
189: ok 13732
189: ok 13733
189: ok 13734
189: ok 13735
189: ok 13736
189: ok 13737
189: ok 13738
189: ok 13739
189: ok 13740
189: ok 13741
189: ok 13742
189: ok 13743
189: ok 13744
189: ok 13745
189: ok 13746
189: ok 13747
189: ok 13748
189: ok 13749
189: ok 13750
189: ok 13751
189: ok 13752
189: ok 13753
189: ok 13754
189: ok 13755
189: ok 13756
189: ok 13757
189: ok 13758
189: ok 13759
189: ok 13760
189: ok 13761
189: ok 13762
189: ok 13763
189: ok 13764
189: ok 13765
189: ok 13766
189: ok 13767
189: ok 13768
189: ok 13769
189: ok 13770
189: ok 13771
189: ok 13772
189: ok 13773
189: ok 13774
189: ok 13775
189: ok 13776
189: ok 13777
189: ok 13778
189: ok 13779
189: ok 13780
189: ok 13781
189: ok 13782
189: ok 13783
189: ok 13784
189: ok 13785
189: ok 13786
189: ok 13787
189: ok 13788
189: ok 13789
189: ok 13790
189: ok 13791
189: ok 13792
189: ok 13793
189: ok 13794
189: ok 13795
189: ok 13796
189: ok 13797
189: ok 13798
189: ok 13799
189: ok 13800
189: ok 13801
189: ok 13802
189: ok 13803
189: ok 13804
189: ok 13805
189: ok 13806
189: ok 13807
189: ok 13808
189: ok 13809
189: ok 13810
189: ok 13811
189: ok 13812
189: ok 13813
189: ok 13814
189: ok 13815
189: ok 13816
189: ok 13817
189: ok 13818
189: ok 13819
189: ok 13820
189: ok 13821
189: ok 13822
189: ok 13823
189: ok 13824
189: ok 13825
189: ok 13826
189: ok 13827
189: ok 13828
189: ok 13829
189: ok 13830
189: ok 13831
189: ok 13832
189: ok 13833
189: ok 13834
189: ok 13835
189: ok 13836
189: ok 13837
189: ok 13838
189: ok 13839
189: ok 13840
189: ok 13841
189: ok 13842
189: ok 13843
189: ok 13844
189: ok 13845
189: ok 13846
189: ok 13847
189: ok 13848
189: ok 13849
189: ok 13850
189: ok 13851
189: ok 13852
189: ok 13853
189: ok 13854
189: ok 13855
189: ok 13856
189: ok 13857
189: ok 13858
189: ok 13859
189: ok 13860
189: ok 13861
189: ok 13862
189: ok 13863
189: ok 13864
189: ok 13865
189: ok 13866
189: ok 13867
189: ok 13868
189: ok 13869
189: ok 13870
189: ok 13871
189: ok 13872
189: ok 13873
189: ok 13874
189: ok 13875
189: ok 13876
189: ok 13877
189: ok 13878
189: ok 13879
189: ok 13880
189: ok 13881
189: ok 13882
189: ok 13883
189: ok 13884
189: ok 13885
189: ok 13886
189: ok 13887
189: ok 13888
189: ok 13889
189: ok 13890
189: ok 13891
189: ok 13892
189: ok 13893
189: ok 13894
189: ok 13895
189: ok 13896
189: ok 13897
189: ok 13898
189: ok 13899
189: ok 13900
189: ok 13901
189: ok 13902
189: ok 13903
189: ok 13904
189: ok 13905
189: ok 13906
189: ok 13907
189: ok 13908
189: ok 13909
189: ok 13910
189: ok 13911
189: ok 13912
189: ok 13913
189: ok 13914
189: ok 13915
189: ok 13916
189: ok 13917
189: ok 13918
189: ok 13919
189: ok 13920
189: ok 13921
189: ok 13922
189: ok 13923
189: ok 13924
189: ok 13925
189: ok 13926
189: ok 13927
189: ok 13928
189: ok 13929
189: ok 13930
189: ok 13931
189: ok 13932
189: ok 13933
189: ok 13934
189: ok 13935
189: ok 13936
189: ok 13937
189: ok 13938
189: ok 13939
189: ok 13940
189: ok 13941
189: ok 13942
189: ok 13943
189: ok 13944
189: ok 13945
189: ok 13946
189: ok 13947
189: ok 13948
189: ok 13949
189: ok 13950
189: ok 13951
189: ok 13952
189: ok 13953
189: ok 13954
189: ok 13955
189: ok 13956
189: ok 13957
189: ok 13958
189: ok 13959
189: ok 13960
189: ok 13961
189: ok 13962
189: ok 13963
189: ok 13964
189: ok 13965
189: ok 13966
189: ok 13967
189: ok 13968
189: ok 13969
189: ok 13970
189: ok 13971
189: ok 13972
189: ok 13973
189: ok 13974
189: ok 13975
189: ok 13976
189: ok 13977
189: ok 13978
189: ok 13979
189: ok 13980
189: ok 13981
189: ok 13982
189: ok 13983
189: ok 13984
189: ok 13985
189: ok 13986
189: ok 13987
189: ok 13988
189: ok 13989
189: ok 13990
189: ok 13991
189: ok 13992
189: ok 13993
189: ok 13994
189: ok 13995
189: ok 13996
189: ok 13997
189: ok 13998
189: ok 13999
189: ok 14000
189: # math: passed testArithmeticOperators
189: # math: entering testDistancesAnglesOrthogonality
189: ok 14001
189: ok 14002
189: ok 14003
189: ok 14004
189: ok 14005
189: ok 14006
189: ok 14007
189: ok 14008
189: ok 14009
189: ok 14010
189: ok 14011
189: ok 14012
189: ok 14013
189: ok 14014
189: ok 14015
189: ok 14016
189: ok 14017
189: ok 14018
189: ok 14019
189: ok 14020
189: ok 14021
189: ok 14022
189: ok 14023
189: ok 14024
189: ok 14025
189: ok 14026
189: ok 14027
189: ok 14028
189: ok 14029
189: ok 14030
189: ok 14031
189: ok 14032
189: ok 14033
189: ok 14034
189: ok 14035
189: ok 14036
189: ok 14037
189: ok 14038
189: ok 14039
189: ok 14040
189: ok 14041
189: ok 14042
189: ok 14043
189: ok 14044
189: ok 14045
189: ok 14046
189: ok 14047
189: ok 14048
189: ok 14049
189: ok 14050
189: ok 14051
189: ok 14052
189: ok 14053
189: ok 14054
189: ok 14055
189: ok 14056
189: ok 14057
189: ok 14058
189: ok 14059
189: ok 14060
189: ok 14061
189: ok 14062
189: ok 14063
189: ok 14064
189: ok 14065
189: ok 14066
189: ok 14067
189: ok 14068
189: ok 14069
189: ok 14070
189: ok 14071
189: ok 14072
189: ok 14073
189: ok 14074
189: ok 14075
189: ok 14076
189: ok 14077
189: ok 14078
189: ok 14079
189: ok 14080
189: ok 14081
189: ok 14082
189: ok 14083
189: ok 14084
189: ok 14085
189: ok 14086
189: ok 14087
189: ok 14088
189: ok 14089
189: ok 14090
189: ok 14091
189: ok 14092
189: ok 14093
189: ok 14094
189: ok 14095
189: ok 14096
189: ok 14097
189: ok 14098
189: ok 14099
189: ok 14100
189: ok 14101
189: ok 14102
189: ok 14103
189: ok 14104
189: ok 14105
189: ok 14106
189: ok 14107
189: ok 14108
189: ok 14109
189: ok 14110
189: ok 14111
189: ok 14112
189: ok 14113
189: ok 14114
189: ok 14115
189: ok 14116
189: ok 14117
189: ok 14118
189: ok 14119
189: ok 14120
189: ok 14121
189: ok 14122
189: ok 14123
189: ok 14124
189: ok 14125
189: ok 14126
189: ok 14127
189: ok 14128
189: ok 14129
189: ok 14130
189: ok 14131
189: ok 14132
189: ok 14133
189: ok 14134
189: ok 14135
189: ok 14136
189: ok 14137
189: ok 14138
189: ok 14139
189: ok 14140
189: ok 14141
189: ok 14142
189: ok 14143
189: ok 14144
189: ok 14145
189: ok 14146
189: ok 14147
189: ok 14148
189: ok 14149
189: ok 14150
189: ok 14151
189: ok 14152
189: ok 14153
189: ok 14154
189: ok 14155
189: ok 14156
189: ok 14157
189: ok 14158
189: ok 14159
189: ok 14160
189: ok 14161
189: ok 14162
189: ok 14163
189: ok 14164
189: ok 14165
189: ok 14166
189: ok 14167
189: ok 14168
189: ok 14169
189: ok 14170
189: ok 14171
189: ok 14172
189: ok 14173
189: ok 14174
189: ok 14175
189: ok 14176
189: ok 14177
189: ok 14178
189: ok 14179
189: ok 14180
189: ok 14181
189: ok 14182
189: ok 14183
189: ok 14184
189: ok 14185
189: ok 14186
189: ok 14187
189: ok 14188
189: ok 14189
189: ok 14190
189: ok 14191
189: ok 14192
189: ok 14193
189: ok 14194
189: ok 14195
189: ok 14196
189: ok 14197
189: ok 14198
189: ok 14199
189: ok 14200
189: ok 14201
189: ok 14202
189: ok 14203
189: ok 14204
189: ok 14205
189: ok 14206
189: ok 14207
189: ok 14208
189: ok 14209
189: ok 14210
189: ok 14211
189: ok 14212
189: ok 14213
189: ok 14214
189: ok 14215
189: ok 14216
189: ok 14217
189: ok 14218
189: ok 14219
189: ok 14220
189: ok 14221
189: ok 14222
189: ok 14223
189: ok 14224
189: ok 14225
189: ok 14226
189: ok 14227
189: ok 14228
189: ok 14229
189: ok 14230
189: ok 14231
189: ok 14232
189: ok 14233
189: ok 14234
189: ok 14235
189: ok 14236
189: ok 14237
189: ok 14238
189: ok 14239
189: ok 14240
189: ok 14241
189: ok 14242
189: ok 14243
189: ok 14244
189: ok 14245
189: ok 14246
189: ok 14247
189: ok 14248
189: ok 14249
189: ok 14250
189: ok 14251
189: ok 14252
189: ok 14253
189: ok 14254
189: ok 14255
189: ok 14256
189: ok 14257
189: ok 14258
189: ok 14259
189: ok 14260
189: ok 14261
189: ok 14262
189: ok 14263
189: ok 14264
189: ok 14265
189: ok 14266
189: ok 14267
189: ok 14268
189: ok 14269
189: ok 14270
189: ok 14271
189: ok 14272
189: ok 14273
189: ok 14274
189: ok 14275
189: ok 14276
189: ok 14277
189: ok 14278
189: ok 14279
189: ok 14280
189: ok 14281
189: ok 14282
189: ok 14283
189: ok 14284
189: ok 14285
189: ok 14286
189: ok 14287
189: ok 14288
189: ok 14289
189: ok 14290
189: ok 14291
189: ok 14292
189: ok 14293
189: ok 14294
189: ok 14295
189: ok 14296
189: ok 14297
189: ok 14298
189: ok 14299
189: ok 14300
189: ok 14301
189: ok 14302
189: ok 14303
189: ok 14304
189: ok 14305
189: ok 14306
189: ok 14307
189: ok 14308
189: ok 14309
189: ok 14310
189: ok 14311
189: ok 14312
189: ok 14313
189: ok 14314
189: ok 14315
189: ok 14316
189: ok 14317
189: ok 14318
189: ok 14319
189: ok 14320
189: ok 14321
189: ok 14322
189: ok 14323
189: ok 14324
189: ok 14325
189: ok 14326
189: ok 14327
189: ok 14328
189: ok 14329
189: ok 14330
189: ok 14331
189: ok 14332
189: ok 14333
189: ok 14334
189: ok 14335
189: ok 14336
189: ok 14337
189: ok 14338
189: ok 14339
189: ok 14340
189: ok 14341
189: ok 14342
189: ok 14343
189: ok 14344
189: ok 14345
189: ok 14346
189: ok 14347
189: ok 14348
189: ok 14349
189: ok 14350
189: ok 14351
189: ok 14352
189: ok 14353
189: ok 14354
189: ok 14355
189: ok 14356
189: ok 14357
189: ok 14358
189: ok 14359
189: ok 14360
189: ok 14361
189: ok 14362
189: ok 14363
189: ok 14364
189: ok 14365
189: ok 14366
189: ok 14367
189: ok 14368
189: ok 14369
189: ok 14370
189: ok 14371
189: ok 14372
189: ok 14373
189: ok 14374
189: ok 14375
189: ok 14376
189: ok 14377
189: ok 14378
189: ok 14379
189: ok 14380
189: ok 14381
189: ok 14382
189: ok 14383
189: ok 14384
189: ok 14385
189: ok 14386
189: ok 14387
189: ok 14388
189: ok 14389
189: ok 14390
189: ok 14391
189: ok 14392
189: ok 14393
189: ok 14394
189: ok 14395
189: ok 14396
189: ok 14397
189: ok 14398
189: ok 14399
189: ok 14400
189: ok 14401
189: ok 14402
189: ok 14403
189: ok 14404
189: ok 14405
189: ok 14406
189: ok 14407
189: ok 14408
189: ok 14409
189: ok 14410
189: ok 14411
189: ok 14412
189: ok 14413
189: ok 14414
189: ok 14415
189: ok 14416
189: ok 14417
189: ok 14418
189: ok 14419
189: ok 14420
189: ok 14421
189: ok 14422
189: ok 14423
189: ok 14424
189: ok 14425
189: ok 14426
189: ok 14427
189: ok 14428
189: ok 14429
189: ok 14430
189: ok 14431
189: ok 14432
189: ok 14433
189: ok 14434
189: ok 14435
189: ok 14436
189: ok 14437
189: ok 14438
189: ok 14439
189: ok 14440
189: ok 14441
189: ok 14442
189: ok 14443
189: ok 14444
189: ok 14445
189: ok 14446
189: ok 14447
189: ok 14448
189: ok 14449
189: ok 14450
189: ok 14451
189: ok 14452
189: ok 14453
189: ok 14454
189: ok 14455
189: ok 14456
189: ok 14457
189: ok 14458
189: ok 14459
189: ok 14460
189: ok 14461
189: ok 14462
189: ok 14463
189: ok 14464
189: ok 14465
189: ok 14466
189: ok 14467
189: ok 14468
189: ok 14469
189: ok 14470
189: ok 14471
189: ok 14472
189: ok 14473
189: ok 14474
189: ok 14475
189: ok 14476
189: ok 14477
189: ok 14478
189: ok 14479
189: ok 14480
189: ok 14481
189: ok 14482
189: ok 14483
189: ok 14484
189: ok 14485
189: ok 14486
189: ok 14487
189: ok 14488
189: ok 14489
189: ok 14490
189: ok 14491
189: ok 14492
189: ok 14493
189: ok 14494
189: ok 14495
189: ok 14496
189: ok 14497
189: ok 14498
189: ok 14499
189: ok 14500
189: ok 14501
189: ok 14502
189: ok 14503
189: ok 14504
189: ok 14505
189: ok 14506
189: ok 14507
189: ok 14508
189: ok 14509
189: ok 14510
189: ok 14511
189: ok 14512
189: ok 14513
189: ok 14514
189: ok 14515
189: ok 14516
189: ok 14517
189: ok 14518
189: ok 14519
189: ok 14520
189: ok 14521
189: ok 14522
189: ok 14523
189: ok 14524
189: ok 14525
189: ok 14526
189: ok 14527
189: ok 14528
189: ok 14529
189: ok 14530
189: ok 14531
189: ok 14532
189: ok 14533
189: ok 14534
189: ok 14535
189: ok 14536
189: ok 14537
189: ok 14538
189: ok 14539
189: ok 14540
189: ok 14541
189: ok 14542
189: ok 14543
189: ok 14544
189: ok 14545
189: ok 14546
189: ok 14547
189: ok 14548
189: ok 14549
189: ok 14550
189: ok 14551
189: ok 14552
189: ok 14553
189: ok 14554
189: ok 14555
189: ok 14556
189: ok 14557
189: ok 14558
189: ok 14559
189: ok 14560
189: ok 14561
189: ok 14562
189: ok 14563
189: ok 14564
189: ok 14565
189: ok 14566
189: ok 14567
189: ok 14568
189: ok 14569
189: ok 14570
189: ok 14571
189: ok 14572
189: ok 14573
189: ok 14574
189: ok 14575
189: ok 14576
189: ok 14577
189: ok 14578
189: ok 14579
189: ok 14580
189: ok 14581
189: ok 14582
189: ok 14583
189: ok 14584
189: ok 14585
189: ok 14586
189: ok 14587
189: ok 14588
189: ok 14589
189: ok 14590
189: ok 14591
189: ok 14592
189: ok 14593
189: ok 14594
189: ok 14595
189: ok 14596
189: ok 14597
189: ok 14598
189: ok 14599
189: ok 14600
189: ok 14601
189: ok 14602
189: ok 14603
189: ok 14604
189: ok 14605
189: ok 14606
189: ok 14607
189: ok 14608
189: ok 14609
189: ok 14610
189: ok 14611
189: ok 14612
189: ok 14613
189: ok 14614
189: ok 14615
189: ok 14616
189: ok 14617
189: ok 14618
189: ok 14619
189: ok 14620
189: ok 14621
189: ok 14622
189: ok 14623
189: ok 14624
189: ok 14625
189: ok 14626
189: ok 14627
189: ok 14628
189: ok 14629
189: ok 14630
189: ok 14631
189: ok 14632
189: ok 14633
189: ok 14634
189: ok 14635
189: ok 14636
189: ok 14637
189: ok 14638
189: ok 14639
189: ok 14640
189: ok 14641
189: ok 14642
189: ok 14643
189: ok 14644
189: ok 14645
189: ok 14646
189: ok 14647
189: ok 14648
189: ok 14649
189: ok 14650
189: ok 14651
189: ok 14652
189: ok 14653
189: ok 14654
189: ok 14655
189: ok 14656
189: ok 14657
189: ok 14658
189: ok 14659
189: ok 14660
189: ok 14661
189: ok 14662
189: ok 14663
189: ok 14664
189: ok 14665
189: ok 14666
189: ok 14667
189: ok 14668
189: ok 14669
189: ok 14670
189: ok 14671
189: ok 14672
189: ok 14673
189: ok 14674
189: ok 14675
189: ok 14676
189: ok 14677
189: ok 14678
189: ok 14679
189: ok 14680
189: ok 14681
189: ok 14682
189: ok 14683
189: ok 14684
189: ok 14685
189: ok 14686
189: ok 14687
189: ok 14688
189: ok 14689
189: ok 14690
189: ok 14691
189: ok 14692
189: ok 14693
189: ok 14694
189: ok 14695
189: ok 14696
189: ok 14697
189: ok 14698
189: ok 14699
189: ok 14700
189: ok 14701
189: ok 14702
189: ok 14703
189: ok 14704
189: ok 14705
189: ok 14706
189: ok 14707
189: ok 14708
189: ok 14709
189: ok 14710
189: ok 14711
189: ok 14712
189: ok 14713
189: ok 14714
189: ok 14715
189: ok 14716
189: ok 14717
189: ok 14718
189: ok 14719
189: ok 14720
189: ok 14721
189: ok 14722
189: ok 14723
189: ok 14724
189: ok 14725
189: ok 14726
189: ok 14727
189: ok 14728
189: ok 14729
189: ok 14730
189: ok 14731
189: ok 14732
189: ok 14733
189: ok 14734
189: ok 14735
189: ok 14736
189: ok 14737
189: ok 14738
189: ok 14739
189: ok 14740
189: ok 14741
189: ok 14742
189: ok 14743
189: ok 14744
189: ok 14745
189: ok 14746
189: ok 14747
189: ok 14748
189: ok 14749
189: ok 14750
189: ok 14751
189: ok 14752
189: ok 14753
189: ok 14754
189: ok 14755
189: ok 14756
189: ok 14757
189: ok 14758
189: ok 14759
189: ok 14760
189: ok 14761
189: ok 14762
189: ok 14763
189: ok 14764
189: ok 14765
189: ok 14766
189: ok 14767
189: ok 14768
189: ok 14769
189: ok 14770
189: ok 14771
189: ok 14772
189: ok 14773
189: ok 14774
189: ok 14775
189: ok 14776
189: ok 14777
189: ok 14778
189: ok 14779
189: ok 14780
189: ok 14781
189: ok 14782
189: ok 14783
189: ok 14784
189: ok 14785
189: ok 14786
189: ok 14787
189: ok 14788
189: ok 14789
189: ok 14790
189: ok 14791
189: ok 14792
189: ok 14793
189: ok 14794
189: ok 14795
189: ok 14796
189: ok 14797
189: ok 14798
189: ok 14799
189: ok 14800
189: ok 14801
189: ok 14802
189: ok 14803
189: ok 14804
189: ok 14805
189: ok 14806
189: ok 14807
189: ok 14808
189: ok 14809
189: ok 14810
189: ok 14811
189: ok 14812
189: ok 14813
189: ok 14814
189: ok 14815
189: ok 14816
189: ok 14817
189: ok 14818
189: ok 14819
189: ok 14820
189: ok 14821
189: ok 14822
189: ok 14823
189: ok 14824
189: ok 14825
189: ok 14826
189: ok 14827
189: ok 14828
189: ok 14829
189: ok 14830
189: ok 14831
189: ok 14832
189: ok 14833
189: ok 14834
189: ok 14835
189: ok 14836
189: ok 14837
189: ok 14838
189: ok 14839
189: ok 14840
189: ok 14841
189: ok 14842
189: ok 14843
189: ok 14844
189: ok 14845
189: ok 14846
189: ok 14847
189: ok 14848
189: ok 14849
189: ok 14850
189: ok 14851
189: ok 14852
189: ok 14853
189: ok 14854
189: ok 14855
189: ok 14856
189: ok 14857
189: ok 14858
189: ok 14859
189: ok 14860
189: ok 14861
189: ok 14862
189: ok 14863
189: ok 14864
189: ok 14865
189: ok 14866
189: ok 14867
189: ok 14868
189: ok 14869
189: ok 14870
189: ok 14871
189: ok 14872
189: ok 14873
189: ok 14874
189: ok 14875
189: ok 14876
189: ok 14877
189: ok 14878
189: ok 14879
189: ok 14880
189: ok 14881
189: ok 14882
189: ok 14883
189: ok 14884
189: ok 14885
189: ok 14886
189: ok 14887
189: ok 14888
189: ok 14889
189: ok 14890
189: ok 14891
189: ok 14892
189: ok 14893
189: ok 14894
189: ok 14895
189: ok 14896
189: ok 14897
189: ok 14898
189: ok 14899
189: ok 14900
189: ok 14901
189: ok 14902
189: ok 14903
189: ok 14904
189: ok 14905
189: ok 14906
189: ok 14907
189: ok 14908
189: ok 14909
189: ok 14910
191: ok 7513
191: ok 7514
191: ok 7515
191: ok 7516
191: ok 7517
191: ok 7518
191: ok 7519
191: ok 7520
191: ok 7521
191: ok 7522
191: ok 7523
191: ok 7524
191: ok 7525
191: ok 7526
191: ok 7527
191: ok 7528
191: ok 7529
191: ok 7530
191: ok 7531
191: ok 7532
191: ok 7533
191: ok 7534
191: ok 7535
191: ok 7536
191: ok 7537
191: ok 7538
191: ok 7539
191: ok 7540
191: ok 7541
191: ok 7542
191: ok 7543
191: ok 7544
191: ok 7545
191: ok 7546
191: ok 7547
191: ok 7548
191: ok 7549
191: ok 7550
191: ok 7551
191: ok 7552
191: ok 7553
191: ok 7554
191: ok 7555
191: ok 7556
191: ok 7557
191: ok 7558
191: ok 7559
191: ok 7560
191: ok 7561
191: ok 7562
191: ok 7563
191: ok 7564
191: ok 7565
191: ok 7566
191: ok 7567
191: ok 7568
191: ok 7569
191: ok 7570
191: ok 7571
191: ok 7572
191: ok 7573
191: ok 7574
191: ok 7575
191: ok 7576
191: ok 7577
191: ok 7578
191: ok 7579
191: ok 7580
191: ok 7581
191: ok 7582
191: ok 7583
191: ok 7584
191: ok 7585
191: ok 7586
191: ok 7587
191: ok 7588
191: ok 7589
191: ok 7590
191: ok 7591
191: ok 7592
191: ok 7593
191: ok 7594
191: ok 7595
191: ok 7596
191: ok 7597
191: ok 7598
191: ok 7599
191: ok 7600
191: ok 7601
191: ok 7602
191: ok 7603
191: ok 7604
191: ok 7605
191: ok 7606
191: ok 7607
191: ok 7608
191: ok 7609
191: ok 7610
191: ok 7611
191: ok 7612
191: ok 7613
191: ok 7614
191: ok 7615
191: ok 7616
191: ok 7617
191: ok 7618
191: ok 7619
191: ok 7620
191: ok 7621
191: ok 7622
191: ok 7623
191: ok 7624
191: ok 7625
191: ok 7626
191: ok 7627
191: ok 7628
191: ok 7629
191: ok 7630
191: ok 7631
191: ok 7632
191: ok 7633
191: ok 7634
191: ok 7635
191: ok 7636
191: ok 7637
191: ok 7638
191: ok 7639
191: ok 7640
191: ok 7641
191: ok 7642
191: ok 7643
191: ok 7644
191: ok 7645
191: ok 7646
191: ok 7647
191: ok 7648
191: ok 7649
191: ok 7650
191: ok 7651
191: ok 7652
191: ok 7653
191: ok 7654
191: ok 7655
191: ok 7656
191: ok 7657
191: ok 7658
191: ok 7659
191: ok 7660
191: ok 7661
191: ok 7662
191: ok 7663
191: ok 7664
191: ok 7665
191: ok 7666
191: ok 7667
191: ok 7668
191: ok 7669
191: ok 7670
191: ok 7671
191: ok 7672
191: ok 7673
191: ok 7674
191: ok 7675
191: ok 7676
191: ok 7677
191: ok 7678
191: ok 7679
191: ok 7680
191: ok 7681
191: ok 7682
191: ok 7683
191: ok 7684
191: ok 7685
191: ok 7686
191: ok 7687
191: ok 7688
191: ok 7689
191: ok 7690
191: ok 7691
191: ok 7692
191: ok 7693
191: ok 7694
191: ok 7695
191: ok 7696
191: ok 7697
191: ok 7698
191: ok 7699
191: ok 7700
191: ok 7701
191: ok 7702
191: ok 7703
191: ok 7704
191: ok 7705
191: ok 7706
191: ok 7707
191: ok 7708
191: ok 7709
191: ok 7710
191: ok 7711
191: ok 7712
191: ok 7713
191: ok 7714
191: ok 7715
191: ok 7716
191: ok 7717
191: ok 7718
191: ok 7719
191: ok 7720
191: ok 7721
191: ok 7722
191: ok 7723
191: ok 7724
191: ok 7725
191: ok 7726
191: ok 7727
191: ok 7728
191: ok 7729
191: ok 7730
191: ok 7731
191: ok 7732
191: ok 7733
191: ok 7734
191: ok 7735
191: ok 7736
191: ok 7737
191: ok 7738
191: ok 7739
191: ok 7740
191: ok 7741
191: ok 7742
191: ok 7743
191: ok 7744
191: ok 7745
191: ok 7746
191: ok 7747
191: ok 7748
191: ok 7749
191: ok 7750
191: ok 7751
191: ok 7752
191: ok 7753
191: ok 7754
191: ok 7755
191: ok 7756
191: ok 7757
191: ok 7758
191: ok 7759
191: ok 7760
191: ok 7761
191: ok 7762
191: ok 7763
191: ok 7764
191: ok 7765
191: ok 7766
191: ok 7767
191: ok 7768
191: ok 7769
191: ok 7770
191: ok 7771
191: ok 7772
191: ok 7773
191: ok 7774
191: ok 7775
191: ok 7776
191: ok 7777
191: ok 7778
191: ok 7779
191: ok 7780
191: ok 7781
191: ok 7782
191: ok 7783
191: ok 7784
191: ok 7785
191: ok 7786
191: ok 7787
191: ok 7788
191: ok 7789
191: ok 7790
191: ok 7791
191: ok 7792
191: ok 7793
191: ok 7794
191: ok 7795
191: ok 7796
191: ok 7797
191: ok 7798
191: ok 7799
191: ok 7800
191: ok 7801
191: ok 7802
191: ok 7803
191: ok 7804
191: ok 7805
191: ok 7806
191: ok 7807
191: ok 7808
191: ok 7809
191: ok 7810
191: ok 7811
191: ok 7812
191: ok 7813
191: ok 7814
191: ok 7815
191: ok 7816
191: ok 7817
191: ok 7818
191: ok 7819
191: ok 7820
191: ok 7821
191: ok 7822
191: ok 7823
191: ok 7824
191: ok 7825
191: ok 7826
191: ok 7827
191: ok 7828
191: ok 7829
191: ok 7830
191: ok 7831
191: ok 7832
191: ok 7833
191: ok 7834
191: ok 7835
191: ok 7836
191: ok 7837
191: ok 7838
191: ok 7839
191: ok 7840
191: ok 7841
191: ok 7842
191: ok 7843
191: ok 7844
191: ok 7845
191: ok 7846
191: ok 7847
191: ok 7848
191: ok 7849
191: ok 7850
191: ok 7851
191: ok 7852
191: ok 7853
191: ok 7854
191: ok 7855
191: ok 7856
191: ok 7857
191: ok 7858
191: ok 7859
191: ok 7860
191: ok 7861
191: ok 7862
191: ok 7863
191: ok 7864
191: ok 7865
191: ok 7866
191: ok 7867
191: ok 7868
191: ok 7869
191: ok 7870
191: ok 7871
191: ok 7872
191: ok 7873
191: ok 7874
191: ok 7875
191: ok 7876
191: ok 7877
191: ok 7878
191: ok 7879
191: ok 7880
191: ok 7881
191: ok 7882
191: ok 7883
191: ok 7884
191: ok 7885
191: ok 7886
191: ok 7887
191: ok 7888
191: ok 7889
191: ok 7890
191: ok 7891
191: ok 7892
191: ok 7893
191: ok 7894
191: ok 7895
191: ok 7896
191: ok 7897
191: ok 7898
191: ok 7899
191: ok 7900
191: ok 7901
191: ok 7902
191: ok 7903
191: ok 7904
191: ok 7905
191: ok 7906
191: ok 7907
191: ok 7908
191: ok 7909
191: ok 7910
191: ok 7911
191: ok 7912
191: ok 7913
191: ok 7914
191: ok 7915
191: ok 7916
191: ok 7917
191: ok 7918
191: ok 7919
191: ok 7920
191: ok 7921
191: ok 7922
191: ok 7923
191: ok 7924
191: ok 7925
191: ok 7926
191: ok 7927
191: ok 7928
191: ok 7929
191: ok 7930
191: ok 7931
191: ok 7932
191: ok 7933
191: ok 7934
191: ok 7935
191: ok 7936
191: ok 7937
191: ok 7938
191: ok 7939
191: ok 7940
191: ok 7941
191: ok 7942
191: ok 7943
191: ok 7944
191: ok 7945
191: ok 7946
191: ok 7947
191: ok 7948
191: ok 7949
191: ok 7950
191: ok 7951
191: ok 7952
191: ok 7953
191: ok 7954
191: ok 7955
191: ok 7956
191: ok 7957
191: ok 7958
191: ok 7959
191: ok 7960
191: ok 7961
191: ok 7962
191: ok 7963
191: ok 7964
191: ok 7965
191: ok 7966
191: ok 7967
191: ok 7968
191: ok 7969
191: ok 7970
191: ok 7971
191: ok 7972
191: ok 7973
191: ok 7974
191: ok 7975
191: ok 7976
191: ok 7977
191: ok 7978
191: ok 7979
191: ok 7980
191: ok 7981
191: ok 7982
191: ok 7983
191: ok 7984
191: ok 7985
191: ok 7986
191: ok 7987
191: ok 7988
191: ok 7989
191: ok 7990
191: ok 7991
191: ok 7992
191: ok 7993
191: ok 7994
191: ok 7995
191: ok 7996
191: ok 7997
191: ok 7998
191: ok 7999
191: ok 8000
191: ok 8001
191: ok 8002
191: ok 8003
191: ok 8004
191: ok 8005
191: ok 8006
191: ok 8007
191: ok 8008
191: ok 8009
191: ok 8010
191: ok 8011
191: ok 8012
191: ok 8013
191: ok 8014
191: ok 8015
191: ok 8016
191: ok 8017
191: ok 8018
191: ok 8019
191: ok 8020
191: ok 8021
191: ok 8022
191: ok 8023
191: ok 8024
191: ok 8025
191: ok 8026
191: ok 8027
191: ok 8028
191: ok 8029
191: ok 8030
191: ok 8031
191: ok 8032
191: ok 8033
191: ok 8034
191: ok 8035
191: ok 8036
191: ok 8037
191: ok 8038
191: ok 8039
191: ok 8040
191: ok 8041
191: ok 8042
191: ok 8043
191: ok 8044
191: ok 8045
191: ok 8046
191: ok 8047
191: ok 8048
191: ok 8049
191: ok 8050
191: ok 8051
191: ok 8052
191: ok 8053
191: ok 8054
191: ok 8055
191: ok 8056
191: ok 8057
191: ok 8058
191: ok 8059
191: ok 8060
191: ok 8061
191: ok 8062
191: ok 8063
191: ok 8064
191: ok 8065
191: ok 8066
191: ok 8067
191: ok 8068
191: ok 8069
191: ok 8070
191: ok 8071
191: ok 8072
191: ok 8073
191: ok 8074
191: ok 8075
191: ok 8076
191: ok 8077
191: ok 8078
191: ok 8079
191: ok 8080
191: ok 8081
191: ok 8082
191: ok 8083
191: ok 8084
191: ok 8085
191: ok 8086
191: ok 8087
191: ok 8088
191: ok 8089
191: ok 8090
191: ok 8091
191: ok 8092
191: ok 8093
191: ok 8094
191: ok 8095
191: ok 8096
191: ok 8097
191: ok 8098
191: ok 8099
191: ok 8100
191: ok 8101
191: ok 8102
191: ok 8103
191: ok 8104
191: ok 8105
191: ok 8106
191: ok 8107
191: ok 8108
191: ok 8109
191: ok 8110
191: ok 8111
191: ok 8112
191: ok 8113
191: ok 8114
191: ok 8115
191: ok 8116
191: ok 8117
191: ok 8118
191: ok 8119
191: ok 8120
191: ok 8121
191: ok 8122
191: ok 8123
191: ok 8124
191: ok 8125
191: ok 8126
191: ok 8127
191: ok 8128
191: ok 8129
191: ok 8130
191: ok 8131
191: ok 8132
191: ok 8133
191: ok 8134
191: ok 8135
191: ok 8136
191: ok 8137
191: ok 8138
191: ok 8139
191: ok 8140
191: ok 8141
191: ok 8142
191: ok 8143
191: ok 8144
191: ok 8145
191: ok 8146
191: ok 8147
191: ok 8148
191: ok 8149
191: ok 8150
191: ok 8151
191: ok 8152
191: ok 8153
191: ok 8154
191: ok 8155
191: ok 8156
191: ok 8157
191: ok 8158
191: ok 8159
191: ok 8160
191: ok 8161
191: ok 8162
191: ok 8163
191: ok 8164
191: ok 8165
191: ok 8166
191: ok 8167
191: ok 8168
191: ok 8169
191: ok 8170
191: ok 8171
191: ok 8172
191: ok 8173
191: ok 8174
191: ok 8175
191: ok 8176
191: ok 8177
191: ok 8178
191: ok 8179
191: ok 8180
191: ok 8181
191: ok 8182
191: ok 8183
191: ok 8184
191: ok 8185
191: ok 8186
191: ok 8187
191: ok 8188
191: ok 8189
191: ok 8190
191: ok 8191
191: ok 8192
191: ok 8193
191: ok 8194
191: ok 8195
191: ok 8196
191: ok 8197
191: ok 8198
191: ok 8199
191: ok 8200
191: ok 8201
191: ok 8202
191: ok 8203
191: ok 8204
191: ok 8205
191: ok 8206
191: ok 8207
191: ok 8208
191: ok 8209
191: ok 8210
191: ok 8211
191: ok 8212
191: ok 8213
191: ok 8214
191: ok 8215
191: ok 8216
191: ok 8217
191: ok 8218
191: ok 8219
191: ok 8220
191: ok 8221
191: ok 8222
191: ok 8223
191: ok 8224
191: ok 8225
191: ok 8226
191: ok 8227
191: ok 8228
191: ok 8229
191: ok 8230
191: ok 8231
191: ok 8232
191: ok 8233
191: ok 8234
191: ok 8235
191: ok 8236
191: ok 8237
191: ok 8238
191: ok 8239
191: ok 8240
191: ok 8241
191: ok 8242
191: ok 8243
191: ok 8244
191: ok 8245
191: ok 8246
191: ok 8247
191: ok 8248
191: ok 8249
191: ok 8250
191: ok 8251
191: ok 8252
191: ok 8253
191: ok 8254
191: ok 8255
191: ok 8256
191: ok 8257
191: ok 8258
191: ok 8259
191: ok 8260
191: ok 8261
191: ok 8262
191: ok 8263
191: ok 8264
191: ok 8265
191: ok 8266
191: ok 8267
191: ok 8268
191: ok 8269
191: ok 8270
191: ok 8271
191: ok 8272
191: ok 8273
191: ok 8274
191: ok 8275
191: ok 8276
191: ok 8277
191: ok 8278
191: ok 8279
191: ok 8280
191: ok 8281
191: ok 8282
191: ok 8283
191: ok 8284
191: ok 8285
191: ok 8286
191: ok 8287
191: ok 8288
191: ok 8289
191: ok 8290
191: ok 8291
191: ok 8292
191: ok 8293
191: ok 8294
191: ok 8295
191: ok 8296
191: ok 8297
191: ok 8298
191: ok 8299
191: ok 8300
191: ok 8301
191: ok 8302
191: ok 8303
191: ok 8304
191: ok 8305
191: ok 8306
191: ok 8307
191: ok 8308
191: ok 8309
191: ok 8310
191: ok 8311
191: ok 8312
191: ok 8313
191: ok 8314
191: ok 8315
191: ok 8316
191: ok 8317
191: ok 8318
191: ok 8319
191: ok 8320
191: ok 8321
191: ok 8322
191: ok 8323
191: ok 8324
191: ok 8325
191: ok 8326
191: ok 8327
191: ok 8328
191: ok 8329
191: ok 8330
191: ok 8331
191: ok 8332
191: ok 8333
191: ok 8334
191: ok 8335
191: ok 8336
191: ok 8337
191: ok 8338
191: ok 8339
191: ok 8340
191: ok 8341
191: ok 8342
191: ok 8343
191: ok 8344
191: ok 8345
191: ok 8346
191: ok 8347
191: ok 8348
191: ok 8349
191: ok 8350
191: ok 8351
191: ok 8352
191: ok 8353
191: ok 8354
191: ok 8355
191: ok 8356
191: ok 8357
191: ok 8358
191: ok 8359
191: ok 8360
191: ok 8361
191: ok 8362
191: ok 8363
191: ok 8364
191: ok 8365
191: ok 8366
191: ok 8367
191: ok 8368
191: ok 8369
191: ok 8370
191: ok 8371
191: ok 8372
191: ok 8373
191: ok 8374
191: ok 8375
191: ok 8376
191: ok 8377
191: ok 8378
191: ok 8379
191: ok 8380
191: ok 8381
191: ok 8382
191: ok 8383
191: ok 8384
191: ok 8385
191: ok 8386
191: ok 8387
191: ok 8388
191: ok 8389
191: ok 8390
191: ok 8391
191: ok 8392
191: ok 8393
191: ok 8394
191: ok 8395
191: ok 8396
191: ok 8397
191: ok 8398
191: ok 8399
191: ok 8400
191: ok 8401
191: ok 8402
191: ok 8403
191: ok 8404
191: ok 8405
191: ok 8406
191: ok 8407
191: ok 8408
191: ok 8409
191: ok 8410
191: ok 8411
191: ok 8412
191: ok 8413
191: ok 8414
191: ok 8415
191: ok 8416
191: ok 8417
191: ok 8418
191: ok 8419
191: ok 8420
191: ok 8421
191: ok 8422
191: ok 8423
191: ok 8424
191: ok 8425
191: ok 8426
191: ok 8427
191: ok 8428
191: ok 8429
191: ok 8430
191: ok 8431
191: ok 8432
191: ok 8433
191: ok 8434
191: ok 8435
191: ok 8436
191: ok 8437
191: ok 8438
191: ok 8439
191: ok 8440
191: ok 8441
191: ok 8442
191: ok 8443
191: ok 8444
191: ok 8445
191: ok 8446
191: ok 8447
191: ok 8448
191: ok 8449
191: ok 8450
191: ok 8451
191: ok 8452
191: ok 8453
191: ok 8454
191: ok 8455
191: ok 8456
191: ok 8457
191: ok 8458
191: ok 8459
191: ok 8460
191: ok 8461
191: ok 8462
191: ok 8463
191: ok 8464
191: ok 8465
191: ok 8466
191: ok 8467
191: ok 8468
191: ok 8469
191: ok 8470
191: ok 8471
191: ok 8472
191: ok 8473
191: ok 8474
191: ok 8475
191: ok 8476
191: ok 8477
191: ok 8478
191: ok 8479
191: ok 8480
191: ok 8481
191: ok 8482
191: ok 8483
191: ok 8484
191: ok 8485
191: ok 8486
191: ok 8487
191: ok 8488
191: ok 8489
191: ok 8490
191: ok 8491
191: ok 8492
191: ok 8493
191: ok 8494
191: ok 8495
191: ok 8496
191: ok 8497
191: ok 8498
191: ok 8499
191: ok 8500
191: ok 8501
191: ok 8502
191: ok 8503
191: ok 8504
191: ok 8505
191: ok 8506
191: ok 8507
191: ok 8508
191: ok 8509
191: ok 8510
191: ok 8511
191: ok 8512
191: ok 8513
191: ok 8514
191: ok 8515
191: ok 8516
191: ok 8517
191: ok 8518
191: ok 8519
191: ok 8520
191: ok 8521
191: ok 8522
191: ok 8523
191: ok 8524
191: ok 8525
191: ok 8526
191: ok 8527
191: ok 8528
191: ok 8529
191: ok 8530
191: ok 8531
191: ok 8532
191: ok 8533
191: ok 8534
191: ok 8535
191: ok 8536
191: ok 8537
191: ok 8538
191: ok 8539
191: ok 8540
191: ok 8541
191: ok 8542
191: ok 8543
191: ok 8544
191: ok 8545
191: ok 8546
191: ok 8547
191: ok 8548
191: ok 8549
191: ok 8550
191: ok 8551
191: ok 8552
191: ok 8553
191: ok 8554
191: ok 8555
191: ok 8556
191: ok 8557
191: ok 8558
191: ok 8559
191: ok 8560
191: ok 8561
191: ok 8562
191: ok 8563
191: ok 8564
191: ok 8565
191: ok 8566
191: ok 8567
191: ok 8568
191: ok 8569
191: ok 8570
191: ok 8571
191: ok 8572
191: ok 8573
191: ok 8574
191: ok 8575
191: ok 8576
191: ok 8577
191: ok 8578
191: ok 8579
191: ok 8580
191: ok 8581
191: ok 8582
191: ok 8583
191: ok 8584
191: ok 8585
191: ok 8586
191: ok 8587
191: ok 8588
191: ok 8589
191: ok 8590
191: ok 8591
191: ok 8592
191: ok 8593
191: ok 8594
191: ok 8595
191: ok 8596
191: ok 8597
191: ok 8598
191: ok 8599
191: ok 8600
191: ok 8601
191: ok 8602
191: ok 8603
191: ok 8604
191: ok 8605
191: ok 8606
191: ok 8607
191: ok 8608
191: ok 8609
191: ok 8610
191: ok 8611
191: ok 8612
191: ok 8613
191: ok 8614
191: ok 8615
191: ok 8616
191: ok 8617
191: ok 8618
191: ok 8619
191: ok 8620
191: ok 8621
191: ok 8622
191: ok 8623
191: ok 8624
191: ok 8625
191: ok 8626
191: ok 8627
191: ok 8628
191: ok 8629
191: ok 8630
191: ok 8631
191: ok 8632
191: ok 8633
191: ok 8634
191: ok 8635
191: ok 8636
191: ok 8637
191: ok 8638
191: ok 8639
191: ok 8640
191: ok 8641
191: ok 8642
191: ok 8643
191: ok 8644
191: ok 8645
191: ok 8646
191: ok 8647
191: ok 8648
191: ok 8649
191: ok 8650
191: ok 8651
191: ok 8652
191: ok 8653
191: ok 8654
191: ok 8655
191: ok 8656
191: ok 8657
191: ok 8658
191: ok 8659
191: ok 8660
191: ok 8661
191: ok 8662
191: ok 8663
191: ok 8664
191: ok 8665
191: ok 8666
191: ok 8667
191: ok 8668
191: ok 8669
191: ok 8670
191: ok 8671
191: ok 8672
191: ok 8673
191: ok 8674
191: ok 8675
191: ok 8676
191: ok 8677
191: ok 8678
191: ok 8679
191: ok 8680
191: ok 8681
191: ok 8682
191: ok 8683
191: ok 8684
191: ok 8685
191: ok 8686
191: ok 8687
191: ok 8688
191: ok 8689
191: ok 8690
191: ok 8691
191: ok 8692
191: ok 8693
191: ok 8694
191: ok 8695
191: ok 8696
191: ok 8697
191: ok 8698
191: ok 8699
191: ok 8700
191: ok 8701
191: ok 8702
191: ok 8703
191: ok 8704
191: ok 8705
191: ok 8706
191: ok 8707
191: ok 8708
191: ok 8709
191: ok 8710
191: ok 8711
191: ok 8712
191: ok 8713
191: ok 8714
191: ok 8715
191: ok 8716
191: ok 8717
191: ok 8718
191: ok 8719
191: ok 8720
191: ok 8721
191: ok 8722
191: ok 8723
191: ok 8724
191: ok 8725
191: ok 8726
191: ok 8727
191: ok 8728
191: ok 8729
191: ok 8730
191: ok 8731
191: ok 8732
191: ok 8733
191: ok 8734
191: ok 8735
191: ok 8736
191: ok 8737
191: ok 8738
191: ok 8739
191: ok 8740
191: ok 8741
191: ok 8742
191: ok 8743
191: ok 8744
191: ok 8745
191: ok 8746
191: ok 8747
191: ok 8748
191: ok 8749
191: ok 8750
191: ok 8751
191: ok 8752
191: ok 8753
191: ok 8754
191: ok 8755
191: ok 8756
191: ok 8757
191: ok 8758
191: ok 8759
191: ok 8760
191: ok 8761
191: ok 8762
191: ok 8763
191: ok 8764
191: ok 8765
191: ok 8766
191: ok 8767
191: ok 8768
191: ok 8769
191: ok 8770
191: ok 8771
191: ok 8772
191: ok 8773
191: ok 8774
191: ok 8775
191: ok 8776
191: ok 8777
191: ok 8778
191: ok 8779
191: ok 8780
191: ok 8781
191: ok 8782
191: ok 8783
191: ok 8784
191: ok 8785
191: ok 8786
191: ok 8787
191: ok 8788
191: ok 8789
191: ok 8790
191: ok 8791
191: ok 8792
191: ok 8793
191: ok 8794
191: ok 8795
191: ok 8796
191: ok 8797
191: ok 8798
191: ok 8799
191: ok 8800
191: ok 8801
191: ok 8802
191: ok 8803
191: ok 8804
191: ok 8805
191: ok 8806
191: ok 8807
191: ok 8808
191: ok 8809
191: ok 8810
191: ok 8811
191: ok 8812
191: ok 8813
191: ok 8814
191: ok 8815
191: ok 8816
191: ok 8817
191: ok 8818
191: ok 8819
191: ok 8820
191: ok 8821
191: ok 8822
191: ok 8823
191: ok 8824
191: ok 8825
191: ok 8826
191: ok 8827
191: ok 8828
191: ok 8829
191: ok 8830
191: ok 8831
191: ok 8832
191: ok 8833
191: ok 8834
191: ok 8835
191: ok 8836
191: ok 8837
191: ok 8838
191: ok 8839
191: ok 8840
191: ok 8841
191: ok 8842
191: ok 8843
191: ok 8844
191: ok 8845
191: ok 8846
191: ok 8847
191: ok 8848
191: ok 8849
191: ok 8850
191: ok 8851
191: ok 8852
191: ok 8853
191: ok 8854
191: ok 8855
191: ok 8856
191: ok 8857
191: ok 8858
191: ok 8859
191: ok 8860
191: ok 8861
191: ok 8862
191: ok 8863
191: ok 8864
191: ok 8865
191: ok 8866
191: ok 8867
191: ok 8868
191: ok 8869
191: ok 8870
191: ok 8871
191: ok 8872
191: ok 8873
191: ok 8874
191: ok 8875
191: ok 8876
191: ok 8877
191: ok 8878
191: ok 8879
191: ok 8880
191: ok 8881
191: ok 8882
191: ok 8883
191: ok 8884
191: ok 8885
191: ok 8886
191: ok 8887
191: ok 8888
191: ok 8889
191: ok 8890
191: ok 8891
191: ok 8892
191: ok 8893
191: ok 8894
191: ok 8895
191: ok 8896
191: ok 8897
191: ok 8898
191: ok 8899
191: ok 8900
191: ok 8901
191: ok 8902
191: ok 8903
191: ok 8904
191: ok 8905
191: ok 8906
191: ok 8907
191: ok 8908
191: ok 8909
191: ok 8910
191: ok 8911
191: ok 8912
191: ok 8913
191: ok 8914
191: ok 8915
191: ok 8916
191: ok 8917
191: ok 8918
191: ok 8919
191: ok 8920
191: ok 8921
191: ok 8922
191: ok 8923
191: ok 8924
191: ok 8925
191: ok 8926
191: ok 8927
191: ok 8928
191: ok 8929
191: ok 8930
191: ok 8931
191: ok 8932
191: ok 8933
191: ok 8934
191: ok 8935
191: ok 8936
191: ok 8937
191: ok 8938
191: ok 8939
191: ok 8940
191: ok 8941
191: ok 8942
191: ok 8943
191: ok 8944
191: ok 8945
191: ok 8946
191: ok 8947
191: ok 8948
191: ok 8949
191: ok 8950
191: ok 8951
191: ok 8952
191: ok 8953
191: ok 8954
191: ok 8955
191: ok 8956
191: ok 8957
191: ok 8958
191: ok 8959
191: ok 8960
191: ok 8961
191: ok 8962
191: ok 8963
191: ok 8964
191: ok 8965
191: ok 8966
191: ok 8967
191: ok 8968
191: ok 8969
191: ok 8970
191: ok 8971
191: ok 8972
191: ok 8973
191: ok 8974
191: ok 8975
191: ok 8976
191: ok 8977
191: ok 8978
191: ok 8979
191: ok 8980
191: ok 8981
191: ok 8982
191: ok 8983
191: ok 8984
191: ok 8985
191: ok 8986
191: ok 8987
191: ok 8988
191: ok 8989
191: ok 8990
191: ok 8991
191: ok 8992
191: ok 8993
191: ok 8994
191: ok 8995
191: ok 8996
191: ok 8997
191: ok 8998
191: ok 8999
191: ok 9000
191: ok 9001
191: ok 9002
191: ok 9003
191: ok 9004
191: ok 9005
191: ok 9006
191: ok 9007
191: ok 9008
191: ok 9009
191: ok 9010
191: ok 9011
191: ok 9012
191: ok 9013
191: ok 9014
191: ok 9015
191: ok 9016
191: ok 9017
191: ok 9018
191: ok 9019
191: ok 9020
191: ok 9021
191: ok 9022
191: ok 9023
191: ok 9024
191: ok 9025
191: ok 9026
191: ok 9027
191: ok 9028
191: ok 9029
191: ok 9030
191: ok 9031
191: ok 9032
191: ok 9033
191: ok 9034
191: ok 9035
191: ok 9036
191: ok 9037
191: ok 9038
191: ok 9039
191: ok 9040
191: ok 9041
191: ok 9042
191: ok 9043
191: ok 9044
191: ok 9045
191: ok 9046
191: ok 9047
191: ok 9048
191: ok 9049
191: ok 9050
191: ok 9051
191: ok 9052
191: ok 9053
191: ok 9054
191: ok 9055
191: ok 9056
191: ok 9057
191: ok 9058
191: ok 9059
191: ok 9060
191: ok 9061
191: ok 9062
191: ok 9063
191: ok 9064
191: ok 9065
191: ok 9066
191: ok 9067
191: ok 9068
191: ok 9069
191: ok 9070
191: ok 9071
191: ok 9072
191: ok 9073
191: ok 9074
191: ok 9075
191: ok 9076
191: ok 9077
191: ok 9078
191: ok 9079
191: ok 9080
191: ok 9081
191: ok 9082
191: ok 9083
191: ok 9084
191: ok 9085
191: ok 9086
191: ok 9087
191: ok 9088
191: ok 9089
191: ok 9090
191: ok 9091
191: ok 9092
191: ok 9093
191: ok 9094
191: ok 9095
191: ok 9096
191: ok 9097
191: ok 9098
191: ok 9099
191: ok 9100
191: ok 9101
191: ok 9102
191: ok 9103
191: ok 9104
191: ok 9105
191: ok 9106
191: ok 9107
191: ok 9108
191: ok 9109
191: ok 9110
191: ok 9111
191: ok 9112
191: ok 9113
191: ok 9114
191: ok 9115
191: ok 9116
191: ok 9117
191: ok 9118
191: ok 9119
191: ok 9120
191: ok 9121
191: ok 9122
191: ok 9123
191: ok 9124
191: ok 9125
191: ok 9126
191: ok 9127
191: ok 9128
191: ok 9129
191: ok 9130
191: ok 9131
191: ok 9132
191: ok 9133
191: ok 9134
191: ok 9135
191: ok 9136
191: ok 9137
191: ok 9138
191: ok 9139
191: ok 9140
191: ok 9141
191: ok 9142
191: ok 9143
191: ok 9144
191: ok 9145
191: ok 9146
191: ok 9147
191: ok 9148
191: ok 9149
191: ok 9150
191: ok 9151
191: ok 9152
191: ok 9153
191: ok 9154
191: ok 9155
191: ok 9156
191: ok 9157
191: ok 9158
191: ok 9159
191: ok 9160
191: ok 9161
191: ok 9162
191: ok 9163
191: ok 9164
191: ok 9165
191: ok 9166
191: ok 9167
191: ok 9168
191: ok 9169
191: ok 9170
191: ok 9171
191: ok 9172
191: ok 9173
191: ok 9174
191: ok 9175
191: ok 9176
191: ok 9177
191: ok 9178
191: ok 9179
191: ok 9180
191: ok 9181
191: ok 9182
191: ok 9183
191: ok 9184
191: ok 9185
191: ok 9186
191: ok 9187
191: ok 9188
191: ok 9189
191: ok 9190
191: ok 9191
191: ok 9192
191: ok 9193
191: ok 9194
191: ok 9195
191: ok 9196
191: ok 9197
191: ok 9198
191: ok 9199
191: ok 9200
191: ok 9201
191: ok 9202
191: ok 9203
191: ok 9204
191: ok 9205
191: ok 9206
191: ok 9207
191: ok 9208
191: ok 9209
191: ok 9210
191: ok 9211
191: ok 9212
191: ok 9213
191: ok 9214
191: ok 9215
191: ok 9216
191: ok 9217
191: ok 9218
191: ok 9219
191: ok 9220
191: ok 9221
191: ok 9222
191: ok 9223
191: ok 9224
191: ok 9225
191: ok 9226
191: ok 9227
191: ok 9228
191: ok 9229
191: ok 9230
191: ok 9231
191: ok 9232
191: ok 9233
191: ok 9234
191: ok 9235
191: ok 9236
191: ok 9237
191: ok 9238
191: ok 9239
191: ok 9240
191: ok 9241
191: ok 9242
191: ok 9243
191: ok 9244
191: ok 9245
191: ok 9246
191: ok 9247
191: ok 9248
191: ok 9249
191: ok 9250
191: ok 9251
191: ok 9252
191: ok 9253
191: ok 9254
191: ok 9255
191: ok 9256
191: ok 9257
191: ok 9258
191: ok 9259
191: ok 9260
191: ok 9261
191: ok 9262
191: ok 9263
191: ok 9264
191: ok 9265
191: ok 9266
191: ok 9267
191: ok 9268
191: ok 9269
191: ok 9270
191: ok 9271
191: ok 9272
191: ok 9273
191: ok 9274
191: ok 9275
191: ok 9276
191: ok 9277
191: ok 9278
191: ok 9279
191: ok 9280
191: ok 9281
191: ok 9282
191: ok 9283
191: ok 9284
191: ok 9285
191: ok 9286
191: ok 9287
191: ok 9288
191: ok 9289
191: ok 9290
191: ok 9291
191: ok 9292
191: ok 9293
191: ok 9294
191: ok 9295
191: ok 9296
191: ok 9297
191: ok 9298
191: ok 9299
191: ok 9300
191: ok 9301
191: ok 9302
191: ok 9303
191: ok 9304
191: ok 9305
191: ok 9306
191: ok 9307
191: ok 9308
191: ok 9309
191: ok 9310
191: ok 9311
191: ok 9312
191: ok 9313
191: ok 9314
191: ok 9315
191: ok 9316
191: ok 9317
191: ok 9318
191: ok 9319
191: ok 9320
191: ok 9321
191: ok 9322
191: ok 9323
191: ok 9324
191: ok 9325
191: ok 9326
191: ok 9327
191: ok 9328
191: ok 9329
191: ok 9330
191: ok 9331
191: ok 9332
191: ok 9333
191: ok 9334
191: ok 9335
191: ok 9336
191: ok 9337
191: ok 9338
191: ok 9339
191: ok 9340
191: ok 9341
191: ok 9342
191: ok 9343
191: ok 9344
191: ok 9345
191: ok 9346
191: ok 9347
191: ok 9348
191: ok 9349
191: ok 9350
191: ok 9351
191: ok 9352
191: ok 9353
191: ok 9354
191: ok 9355
191: ok 9356
191: ok 9357
191: ok 9358
191: ok 9359
191: ok 9360
191: ok 9361
191: ok 9362
191: ok 9363
191: ok 9364
191: ok 9365
191: ok 9366
191: ok 9367
191: ok 9368
191: ok 9369
191: ok 9370
191: ok 9371
191: ok 9372
191: ok 9373
191: ok 9374
191: ok 9375
191: ok 9376
191: ok 9377
191: ok 9378
191: ok 9379
191: ok 9380
191: ok 9381
191: ok 9382
191: ok 9383
191: ok 9384
191: ok 9385
191: ok 9386
191: ok 9387
191: ok 9388
191: ok 9389
191: ok 9390
191: ok 9391
191: ok 9392
191: ok 9393
191: ok 9394
191: ok 9395
191: ok 9396
191: ok 9397
191: ok 9398
191: ok 9399
191: ok 9400
191: ok 9401
191: ok 9402
191: ok 9403
191: ok 9404
191: ok 9405
191: ok 9406
191: ok 9407
191: ok 9408
191: ok 9409
191: ok 9410
191: ok 9411
191: ok 9412
191: ok 9413
191: ok 9414
191: ok 9415
191: ok 9416
191: ok 9417
191: ok 9418
191: ok 9419
191: ok 9420
191: ok 9421
191: ok 9422
191: ok 9423
191: ok 9424
191: ok 9425
191: ok 9426
191: ok 9427
191: ok 9428
191: ok 9429
191: ok 9430
191: ok 9431
191: ok 9432
191: ok 9433
191: ok 9434
191: ok 9435
191: ok 9436
191: ok 9437
191: ok 9438
191: ok 9439
191: ok 9440
191: ok 9441
191: ok 9442
191: ok 9443
191: ok 9444
191: ok 9445
191: ok 9446
191: ok 9447
191: ok 9448
191: ok 9449
191: ok 9450
191: ok 9451
191: ok 9452
191: ok 9453
191: ok 9454
191: ok 9455
191: ok 9456
191: ok 9457
191: ok 9458
191: ok 9459
191: ok 9460
191: ok 9461
191: ok 9462
191: ok 9463
191: ok 9464
191: ok 9465
191: ok 9466
191: ok 9467
191: ok 9468
191: ok 9469
191: ok 9470
191: ok 9471
191: ok 9472
191: ok 9473
191: ok 9474
191: ok 9475
191: ok 9476
191: ok 9477
191: ok 9478
191: ok 9479
191: ok 9480
191: ok 9481
191: ok 9482
191: ok 9483
191: ok 9484
191: ok 9485
191: ok 9486
191: ok 9487
191: ok 9488
191: ok 9489
191: ok 9490
191: ok 9491
191: ok 9492
191: ok 9493
191: ok 9494
191: ok 9495
191: ok 9496
191: ok 9497
191: ok 9498
191: ok 9499
191: ok 9500
191: ok 9501
191: ok 9502
191: ok 9503
191: ok 9504
191: ok 9505
191: ok 9506
191: ok 9507
191: ok 9508
191: ok 9509
191: ok 9510
191: ok 9511
191: ok 9512
191: ok 9513
191: ok 9514
191: ok 9515
191: ok 9516
191: ok 9517
191: ok 9518
191: ok 9519
191: ok 9520
191: ok 9521
191: ok 9522
191: ok 9523
191: ok 9524
191: ok 9525
191: ok 9526
191: ok 9527
191: ok 9528
191: ok 9529
191: ok 9530
191: ok 9531
191: ok 9532
191: ok 9533
191: ok 9534
191: ok 9535
191: ok 9536
191: ok 9537
191: ok 9538
191: ok 9539
191: ok 9540
191: ok 9541
191: ok 9542
191: ok 9543
191: ok 9544
191: ok 9545
191: ok 9546
191: ok 9547
191: ok 9548
191: ok 9549
191: ok 9550
191: ok 9551
191: ok 9552
191: ok 9553
191: ok 9554
191: ok 9555
191: ok 9556
191: ok 9557
191: ok 9558
191: ok 9559
191: ok 9560
191: ok 9561
191: ok 9562
191: ok 9563
191: ok 9564
191: ok 9565
191: ok 9566
191: ok 9567
191: ok 9568
191: ok 9569
191: ok 9570
191: ok 9571
191: ok 9572
191: ok 9573
191: ok 9574
191: ok 9575
191: ok 9576
191: ok 9577
191: ok 9578
191: ok 9579
191: ok 9580
191: ok 9581
191: ok 9582
191: ok 9583
191: ok 9584
191: ok 9585
191: ok 9586
191: ok 9587
191: ok 9588
191: ok 9589
191: ok 9590
191: ok 9591
191: ok 9592
191: ok 9593
191: ok 9594
191: ok 9595
191: ok 9596
191: ok 9597
191: ok 9598
191: ok 9599
191: ok 9600
191: ok 9601
191: ok 9602
191: ok 9603
191: ok 9604
191: ok 9605
191: ok 9606
191: ok 9607
191: ok 9608
191: ok 9609
191: ok 9610
191: ok 9611
191: ok 9612
191: ok 9613
191: ok 9614
191: ok 9615
191: ok 9616
191: ok 9617
191: ok 9618
191: ok 9619
191: ok 9620
191: ok 9621
191: ok 9622
191: ok 9623
191: ok 9624
191: ok 9625
191: ok 9626
191: ok 9627
191: ok 9628
191: ok 9629
191: ok 9630
191: ok 9631
191: ok 9632
191: ok 9633
191: ok 9634
191: ok 9635
191: ok 9636
191: ok 9637
191: ok 9638
191: ok 9639
191: ok 9640
191: ok 9641
191: ok 9642
191: ok 9643
191: ok 9644
191: ok 9645
191: ok 9646
191: ok 9647
191: ok 9648
191: ok 9649
191: ok 9650
191: ok 9651
191: ok 9652
191: ok 9653
191: ok 9654
191: ok 9655
191: ok 9656
191: ok 9657
191: ok 9658
191: ok 9659
191: ok 9660
191: ok 9661
191: ok 9662
191: ok 9663
191: ok 9664
191: ok 9665
191: ok 9666
191: ok 9667
191: ok 9668
191: ok 9669
191: ok 9670
191: ok 9671
191: ok 9672
191: ok 9673
191: ok 9674
191: ok 9675
191: ok 9676
191: ok 9677
191: ok 9678
191: ok 9679
191: ok 9680
191: ok 9681
191: ok 9682
191: ok 9683
191: ok 9684
191: ok 9685
191: ok 9686
191: ok 9687
191: ok 9688
191: ok 9689
191: ok 9690
191: ok 9691
191: ok 9692
191: ok 9693
191: ok 9694
191: ok 9695
191: ok 9696
191: ok 9697
191: ok 9698
191: ok 9699
191: ok 9700
191: ok 9701
191: ok 9702
191: ok 9703
191: ok 9704
191: ok 9705
191: ok 9706
191: ok 9707
191: ok 9708
191: ok 9709
191: ok 9710
191: ok 9711
191: ok 9712
191: ok 9713
191: ok 9714
191: ok 9715
191: ok 9716
191: ok 9717
191: ok 9718
191: ok 9719
191: ok 9720
191: ok 9721
191: ok 9722
191: ok 9723
191: ok 9724
191: ok 9725
191: ok 9726
191: ok 9727
191: ok 9728
191: ok 9729
191: ok 9730
191: ok 9731
191: ok 9732
191: ok 9733
191: ok 9734
191: ok 9735
191: ok 9736
191: ok 9737
191: ok 9738
191: ok 9739
191: ok 9740
191: ok 9741
191: ok 9742
191: ok 9743
191: ok 9744
191: ok 9745
191: ok 9746
191: ok 9747
191: ok 9748
191: ok 9749
191: ok 9750
191: ok 9751
191: ok 9752
191: ok 9753
191: ok 9754
191: ok 9755
191: ok 9756
191: ok 9757
191: ok 9758
191: ok 9759
191: ok 9760
191: ok 9761
191: ok 9762
191: ok 9763
191: ok 9764
191: ok 9765
191: ok 9766
191: ok 9767
191: ok 9768
191: ok 9769
191: ok 9770
191: ok 9771
191: ok 9772
191: ok 9773
191: ok 9774
191: ok 9775
191: ok 9776
191: ok 9777
191: ok 9778
191: ok 9779
191: ok 9780
191: ok 9781
191: ok 9782
191: ok 9783
191: ok 9784
191: ok 9785
191: ok 9786
191: ok 9787
191: ok 9788
191: ok 9789
191: ok 9790
191: ok 9791
191: ok 9792
191: ok 9793
191: ok 9794
191: ok 9795
191: ok 9796
191: ok 9797
191: ok 9798
191: ok 9799
191: ok 9800
191: ok 9801
191: ok 9802
191: ok 9803
191: ok 9804
191: ok 9805
191: ok 9806
191: ok 9807
191: ok 9808
191: ok 9809
191: ok 9810
191: ok 9811
191: ok 9812
191: ok 9813
191: ok 9814
191: ok 9815
191: ok 9816
191: ok 9817
191: ok 9818
191: ok 9819
191: ok 9820
191: ok 9821
191: ok 9822
191: ok 9823
191: ok 9824
191: ok 9825
191: ok 9826
191: ok 9827
191: ok 9828
191: ok 9829
191: ok 9830
191: ok 9831
191: ok 9832
191: ok 9833
191: ok 9834
191: ok 9835
191: ok 9836
191: ok 9837
191: ok 9838
191: ok 9839
191: ok 9840
191: ok 9841
191: ok 9842
191: ok 9843
191: ok 9844
191: ok 9845
191: ok 9846
191: ok 9847
191: ok 9848
191: ok 9849
191: ok 9850
191: ok 9851
191: ok 9852
191: ok 9853
191: ok 9854
191: ok 9855
191: ok 9856
191: ok 9857
191: ok 9858
191: ok 9859
191: ok 9860
191: ok 9861
191: ok 9862
191: ok 9863
191: ok 9864
191: ok 9865
191: ok 9866
191: ok 9867
191: ok 9868
191: ok 9869
191: ok 9870
191: ok 9871
191: ok 9872
191: ok 9873
191: ok 9874
191: ok 9875
191: ok 9876
191: ok 9877
191: ok 9878
191: ok 9879
191: ok 9880
191: ok 9881
191: ok 9882
191: ok 9883
191: ok 9884
191: ok 9885
191: ok 9886
191: ok 9887
191: ok 9888
191: ok 9889
191: ok 9890
191: ok 9891
191: ok 9892
191: ok 9893
191: ok 9894
191: ok 9895
191: ok 9896
191: ok 9897
191: ok 9898
191: ok 9899
191: ok 9900
191: ok 9901
191: ok 9902
191: ok 9903
191: ok 9904
191: ok 9905
191: ok 9906
191: ok 9907
191: ok 9908
191: ok 9909
191: ok 9910
191: ok 9911
191: ok 9912
191: ok 9913
191: ok 9914
191: ok 9915
191: ok 9916
191: ok 9917
191: ok 9918
191: ok 9919
191: ok 9920
191: ok 9921
191: ok 9922
191: ok 9923
191: ok 9924
191: ok 9925
191: ok 9926
191: ok 9927
191: ok 9928
191: ok 9929
191: ok 9930
191: ok 9931
191: ok 9932
191: ok 9933
191: ok 9934
191: ok 9935
191: ok 9936
191: ok 9937
191: ok 9938
191: ok 9939
191: ok 9940
191: ok 9941
191: ok 9942
191: ok 9943
191: ok 9944
191: ok 9945
191: ok 9946
191: ok 9947
191: ok 9948
191: ok 9949
191: ok 9950
191: ok 9951
191: ok 9952
191: ok 9953
191: ok 9954
191: ok 9955
191: ok 9956
191: ok 9957
191: ok 9958
191: ok 9959
191: ok 9960
191: ok 9961
191: ok 9962
191: ok 9963
191: ok 9964
191: ok 9965
191: ok 9966
191: ok 9967
191: ok 9968
191: ok 9969
191: ok 9970
191: ok 9971
191: ok 9972
191: ok 9973
191: ok 9974
191: ok 9975
191: ok 9976
191: ok 9977
191: ok 9978
191: ok 9979
191: ok 9980
191: ok 9981
191: ok 9982
191: ok 9983
191: ok 9984
191: ok 9985
191: ok 9986
191: ok 9987
191: ok 9988
191: ok 9989
191: ok 9990
191: ok 9991
191: ok 9992
191: ok 9993
191: ok 9994
191: ok 9995
191: ok 9996
191: ok 9997
191: ok 9998
191: ok 9999
191: ok 10000
191: ok 10001
191: ok 10002
191: ok 10003
191: ok 10004
191: ok 10005
191: ok 10006
191: ok 10007
191: ok 10008
191: ok 10009
191: ok 10010
191: ok 10011
191: ok 10012
191: ok 10013
191: ok 10014
191: ok 10015
191: ok 10016
191: ok 10017
191: ok 10018
191: ok 10019
191: ok 10020
191: ok 10021
191: ok 10022
191: ok 10023
191: ok 10024
191: ok 10025
191: ok 10026
191: ok 10027
191: ok 10028
191: ok 10029
191: ok 10030
191: ok 10031
191: ok 10032
191: ok 10033
191: ok 10034
191: ok 10035
191: ok 10036
191: ok 10037
191: ok 10038
191: ok 10039
191: ok 10040
191: ok 10041
191: ok 10042
191: ok 10043
191: ok 10044
191: ok 10045
191: ok 10046
191: ok 10047
191: ok 10048
191: ok 10049
191: ok 10050
191: ok 10051
191: ok 10052
191: ok 10053
191: ok 10054
191: ok 10055
191: ok 10056
191: ok 10057
191: ok 10058
191: ok 10059
191: ok 10060
191: ok 10061
191: ok 10062
191: ok 10063
191: ok 10064
191: ok 10065
191: ok 10066
191: ok 10067
191: ok 10068
191: ok 10069
191: ok 10070
191: ok 10071
191: ok 10072
191: ok 10073
191: ok 10074
191: ok 10075
191: ok 10076
191: ok 10077
191: ok 10078
191: ok 10079
191: ok 10080
191: ok 10081
191: ok 10082
191: ok 10083
191: ok 10084
191: ok 10085
191: ok 10086
191: ok 10087
191: ok 10088
191: ok 10089
191: ok 10090
191: ok 10091
191: ok 10092
191: ok 10093
191: ok 10094
191: ok 10095
191: ok 10096
191: ok 10097
191: ok 10098
191: ok 10099
191: ok 10100
191: ok 10101
191: ok 10102
191: ok 10103
191: ok 10104
191: ok 10105
191: ok 10106
191: ok 10107
191: ok 10108
191: ok 10109
191: ok 10110
191: ok 10111
191: ok 10112
191: ok 10113
191: ok 10114
191: ok 10115
191: ok 10116
191: ok 10117
191: ok 10118
191: ok 10119
191: ok 10120
191: ok 10121
191: ok 10122
191: ok 10123
191: ok 10124
191: ok 10125
191: ok 10126
191: ok 10127
191: ok 10128
191: ok 10129
191: ok 10130
191: ok 10131
191: ok 10132
191: ok 10133
191: ok 10134
191: ok 10135
191: ok 10136
191: ok 10137
191: ok 10138
191: ok 10139
191: ok 10140
191: ok 10141
191: ok 10142
191: ok 10143
191: ok 10144
191: ok 10145
191: ok 10146
191: ok 10147
191: ok 10148
191: ok 10149
191: ok 10150
191: ok 10151
191: ok 10152
191: ok 10153
191: ok 10154
191: ok 10155
191: ok 10156
191: ok 10157
191: ok 10158
191: ok 10159
191: ok 10160
191: ok 10161
191: ok 10162
191: ok 10163
191: ok 10164
191: ok 10165
191: ok 10166
191: ok 10167
191: ok 10168
191: ok 10169
191: ok 10170
191: ok 10171
191: ok 10172
191: ok 10173
191: ok 10174
191: ok 10175
191: ok 10176
191: ok 10177
191: ok 10178
191: ok 10179
191: ok 10180
191: ok 10181
191: ok 10182
191: ok 10183
191: ok 10184
191: ok 10185
191: ok 10186
191: ok 10187
191: ok 10188
191: ok 10189
191: ok 10190
191: ok 10191
191: ok 10192
191: ok 10193
191: ok 10194
191: ok 10195
191: ok 10196
191: ok 10197
191: ok 10198
191: ok 10199
191: ok 10200
191: ok 10201
191: ok 10202
191: ok 10203
191: ok 10204
191: ok 10205
191: ok 10206
191: ok 10207
191: ok 10208
191: ok 10209
191: ok 10210
191: ok 10211
191: ok 10212
191: ok 10213
191: ok 10214
191: ok 10215
191: ok 10216
191: ok 10217
191: ok 10218
191: ok 10219
191: ok 10220
191: ok 10221
191: ok 10222
191: ok 10223
191: ok 10224
191: ok 10225
191: ok 10226
191: ok 10227
191: ok 10228
191: ok 10229
191: ok 10230
191: ok 10231
191: ok 10232
191: ok 10233
191: ok 10234
191: ok 10235
191: ok 10236
191: ok 10237
191: ok 10238
191: ok 10239
191: ok 10240
191: ok 10241
191: ok 10242
191: ok 10243
191: ok 10244
191: ok 10245
191: ok 10246
191: ok 10247
191: ok 10248
191: ok 10249
191: ok 10250
191: ok 10251
191: ok 10252
191: ok 10253
191: ok 10254
191: ok 10255
191: ok 10256
191: ok 10257
191: ok 10258
191: ok 10259
191: ok 10260
191: ok 10261
191: ok 10262
191: ok 10263
191: ok 10264
191: ok 10265
191: ok 10266
191: ok 10267
191: ok 10268
191: ok 10269
191: ok 10270
191: ok 10271
191: ok 10272
191: ok 10273
191: ok 10274
191: ok 10275
191: ok 10276
191: ok 10277
191: ok 10278
191: ok 10279
191: ok 10280
191: ok 10281
191: ok 10282
191: ok 10283
191: ok 10284
191: ok 10285
191: ok 10286
191: ok 10287
191: ok 10288
191: ok 10289
191: ok 10290
191: ok 10291
191: ok 10292
191: ok 10293
191: ok 10294
191: ok 10295
191: ok 10296
191: ok 10297
191: ok 10298
191: ok 10299
191: ok 10300
191: ok 10301
191: ok 10302
191: ok 10303
191: ok 10304
191: ok 10305
191: ok 10306
191: ok 10307
191: ok 10308
191: ok 10309
191: ok 10310
191: ok 10311
191: ok 10312
191: ok 10313
191: ok 10314
191: ok 10315
191: ok 10316
191: ok 10317
191: ok 10318
191: ok 10319
191: ok 10320
191: ok 10321
191: ok 10322
191: ok 10323
191: ok 10324
191: ok 10325
191: ok 10326
191: ok 10327
191: ok 10328
191: ok 10329
191: ok 10330
191: ok 10331
191: ok 10332
191: ok 10333
191: ok 10334
191: ok 10335
191: ok 10336
191: ok 10337
191: ok 10338
191: ok 10339
191: ok 10340
191: ok 10341
191: ok 10342
191: ok 10343
191: ok 10344
191: ok 10345
191: ok 10346
191: ok 10347
191: ok 10348
191: ok 10349
191: ok 10350
191: ok 10351
191: ok 10352
191: ok 10353
191: ok 10354
191: ok 10355
191: ok 10356
191: ok 10357
191: ok 10358
191: ok 10359
191: ok 10360
191: ok 10361
191: ok 10362
191: ok 10363
191: ok 10364
191: ok 10365
191: ok 10366
191: ok 10367
191: ok 10368
191: ok 10369
191: ok 10370
191: ok 10371
191: ok 10372
191: ok 10373
191: ok 10374
191: ok 10375
191: ok 10376
191: ok 10377
191: ok 10378
191: ok 10379
191: ok 10380
191: ok 10381
191: ok 10382
191: ok 10383
191: ok 10384
191: ok 10385
191: ok 10386
191: ok 10387
191: ok 10388
191: ok 10389
191: ok 10390
191: ok 10391
191: ok 10392
191: ok 10393
191: ok 10394
191: ok 10395
191: ok 10396
191: ok 10397
191: ok 10398
191: ok 10399
191: ok 10400
191: ok 10401
191: ok 10402
191: ok 10403
191: ok 10404
191: ok 10405
191: ok 10406
191: ok 10407
191: ok 10408
191: ok 10409
191: ok 10410
191: ok 10411
191: ok 10412
191: ok 10413
191: ok 10414
191: ok 10415
191: ok 10416
191: ok 10417
191: ok 10418
191: ok 10419
191: ok 10420
191: ok 10421
191: ok 10422
191: ok 10423
191: ok 10424
191: ok 10425
191: ok 10426
191: ok 10427
191: ok 10428
191: ok 10429
191: ok 10430
191: ok 10431
191: ok 10432
191: ok 10433
191: ok 10434
191: ok 10435
191: ok 10436
191: ok 10437
191: ok 10438
191: ok 10439
191: ok 10440
191: ok 10441
191: ok 10442
191: ok 10443
191: ok 10444
191: ok 10445
191: ok 10446
191: ok 10447
191: ok 10448
191: ok 10449
191: ok 10450
191: ok 10451
191: ok 10452
191: ok 10453
191: ok 10454
191: ok 10455
191: ok 10456
191: ok 10457
191: ok 10458
191: ok 10459
191: ok 10460
191: ok 10461
191: ok 10462
191: ok 10463
191: ok 10464
191: ok 10465
191: ok 10466
191: ok 10467
191: ok 10468
191: ok 10469
191: ok 10470
191: ok 10471
191: ok 10472
191: ok 10473
191: ok 10474
191: ok 10475
191: ok 10476
191: ok 10477
191: ok 10478
191: ok 10479
191: ok 10480
191: ok 10481
191: ok 10482
191: ok 10483
191: ok 10484
191: ok 10485
191: ok 10486
191: ok 10487
191: ok 10488
191: ok 10489
191: ok 10490
191: ok 10491
191: ok 10492
191: ok 10493
191: ok 10494
191: ok 10495
191: ok 10496
191: ok 10497
191: ok 10498
191: ok 10499
191: ok 10500
191: ok 10501
191: ok 10502
191: ok 10503
191: ok 10504
191: ok 10505
191: ok 10506
191: ok 10507
191: ok 10508
191: ok 10509
191: ok 10510
191: ok 10511
191: ok 10512
191: ok 10513
191: ok 10514
191: ok 10515
191: ok 10516
191: ok 10517
191: ok 10518
191: ok 10519
191: ok 10520
191: ok 10521
191: ok 10522
191: ok 10523
191: ok 10524
191: ok 10525
191: ok 10526
191: ok 10527
191: ok 10528
191: ok 10529
191: ok 10530
191: ok 10531
191: ok 10532
191: ok 10533
191: ok 10534
191: ok 10535
191: ok 10536
191: ok 10537
191: ok 10538
191: ok 10539
191: ok 10540
191: ok 10541
191: ok 10542
191: ok 10543
191: ok 10544
191: ok 10545
191: ok 10546
191: ok 10547
191: ok 10548
191: ok 10549
191: ok 10550
191: ok 10551
191: ok 10552
191: ok 10553
191: ok 10554
191: ok 10555
191: ok 10556
191: ok 10557
191: ok 10558
191: ok 10559
191: ok 10560
191: ok 10561
191: ok 10562
191: ok 10563
191: ok 10564
191: ok 10565
191: ok 10566
191: ok 10567
191: ok 10568
191: ok 10569
191: ok 10570
191: ok 10571
191: ok 10572
191: ok 10573
191: ok 10574
191: ok 10575
191: ok 10576
191: ok 10577
191: ok 10578
191: ok 10579
191: ok 10580
191: ok 10581
191: ok 10582
191: ok 10583
191: ok 10584
191: ok 10585
191: ok 10586
191: ok 10587
191: ok 10588
191: ok 10589
191: ok 10590
191: ok 10591
191: ok 10592
191: ok 10593
191: ok 10594
191: ok 10595
191: ok 10596
191: ok 10597
191: ok 10598
191: ok 10599
191: ok 10600
191: ok 10601
191: ok 10602
191: ok 10603
191: ok 10604
191: ok 10605
191: ok 10606
191: ok 10607
191: ok 10608
191: ok 10609
191: ok 10610
191: ok 10611
191: ok 10612
191: ok 10613
191: ok 10614
191: ok 10615
191: ok 10616
191: ok 10617
191: ok 10618
191: ok 10619
191: ok 10620
191: ok 10621
191: ok 10622
191: ok 10623
191: ok 10624
191: ok 10625
191: ok 10626
191: ok 10627
191: ok 10628
191: ok 10629
191: ok 10630
191: ok 10631
191: ok 10632
191: ok 10633
191: ok 10634
191: ok 10635
191: ok 10636
191: ok 10637
191: ok 10638
191: ok 10639
191: ok 10640
191: ok 10641
191: ok 10642
191: ok 10643
191: ok 10644
191: ok 10645
191: ok 10646
191: ok 10647
191: ok 10648
191: ok 10649
191: ok 10650
191: ok 10651
191: ok 10652
191: ok 10653
191: ok 10654
191: ok 10655
191: ok 10656
191: ok 10657
191: ok 10658
191: ok 10659
191: ok 10660
191: ok 10661
191: ok 10662
191: ok 10663
191: ok 10664
191: ok 10665
191: ok 10666
191: ok 10667
191: ok 10668
191: ok 10669
191: ok 10670
191: ok 10671
191: ok 10672
191: ok 10673
191: ok 10674
191: ok 10675
191: ok 10676
191: ok 10677
191: ok 10678
191: ok 10679
191: ok 10680
191: ok 10681
191: ok 10682
191: ok 10683
191: ok 10684
191: ok 10685
191: ok 10686
191: ok 10687
191: ok 10688
191: ok 10689
191: ok 10690
191: ok 10691
191: ok 10692
191: ok 10693
191: ok 10694
191: ok 10695
191: ok 10696
191: ok 10697
191: ok 10698
191: ok 10699
191: ok 10700
191: ok 10701
191: ok 10702
191: ok 10703
191: ok 10704
191: ok 10705
191: ok 10706
191: ok 10707
191: ok 10708
191: ok 10709
191: ok 10710
191: ok 10711
191: ok 10712
191: ok 10713
191: ok 10714
191: ok 10715
191: ok 10716
191: ok 10717
191: ok 10718
191: ok 10719
191: ok 10720
191: ok 10721
191: ok 10722
191: ok 10723
191: ok 10724
191: ok 10725
191: ok 10726
191: ok 10727
191: ok 10728
191: ok 10729
191: ok 10730
191: ok 10731
191: ok 10732
191: ok 10733
191: ok 10734
191: ok 10735
191: ok 10736
191: ok 10737
191: ok 10738
191: ok 10739
191: ok 10740
191: ok 10741
191: ok 10742
191: ok 10743
191: ok 10744
191: ok 10745
191: ok 10746
191: ok 10747
191: ok 10748
191: ok 10749
191: ok 10750
191: ok 10751
191: ok 10752
191: ok 10753
191: ok 10754
191: ok 10755
191: ok 10756
191: ok 10757
191: ok 10758
191: ok 10759
191: ok 10760
191: ok 10761
191: ok 10762
191: ok 10763
191: ok 10764
191: ok 10765
191: ok 10766
191: ok 10767
191: ok 10768
191: ok 10769
191: ok 10770
191: ok 10771
191: ok 10772
191: ok 10773
191: ok 10774
191: ok 10775
191: ok 10776
191: ok 10777
191: ok 10778
191: ok 10779
191: ok 10780
191: ok 10781
191: ok 10782
191: ok 10783
191: ok 10784
191: ok 10785
191: ok 10786
191: ok 10787
191: ok 10788
191: ok 10789
191: ok 10790
191: ok 10791
191: ok 10792
191: ok 10793
191: ok 10794
191: ok 10795
191: ok 10796
191: ok 10797
191: ok 10798
191: ok 10799
191: ok 10800
191: ok 10801
191: ok 10802
191: ok 10803
191: ok 10804
191: ok 10805
191: ok 10806
191: ok 10807
191: ok 10808
191: ok 10809
191: ok 10810
191: ok 10811
191: ok 10812
191: ok 10813
191: ok 10814
191: ok 10815
191: ok 10816
191: ok 10817
191: ok 10818
191: ok 10819
191: ok 10820
191: ok 10821
191: ok 10822
191: ok 10823
191: ok 10824
191: ok 10825
191: ok 10826
191: ok 10827
191: ok 10828
191: ok 10829
191: ok 10830
191: ok 10831
191: ok 10832
191: ok 10833
191: ok 10834
191: ok 10835
191: ok 10836
191: ok 10837
191: ok 10838
191: ok 10839
191: ok 10840
191: ok 10841
191: ok 10842
191: ok 10843
191: ok 10844
191: ok 10845
191: ok 10846
191: ok 10847
191: ok 10848
191: ok 10849
191: ok 10850
191: ok 10851
191: ok 10852
191: ok 10853
191: ok 10854
191: ok 10855
191: ok 10856
191: ok 10857
191: ok 10858
191: ok 10859
191: ok 10860
191: ok 10861
191: ok 10862
191: ok 10863
191: ok 10864
191: ok 10865
191: ok 10866
191: ok 10867
191: ok 10868
191: ok 10869
191: ok 10870
191: ok 10871
191: ok 10872
191: ok 10873
191: ok 10874
191: ok 10875
191: ok 10876
191: ok 10877
191: ok 10878
191: ok 10879
191: ok 10880
191: ok 10881
191: ok 10882
191: ok 10883
191: ok 10884
191: ok 10885
191: ok 10886
191: ok 10887
191: ok 10888
191: ok 10889
191: ok 10890
191: ok 10891
191: ok 10892
191: ok 10893
191: ok 10894
191: ok 10895
191: ok 10896
191: ok 10897
191: ok 10898
191: ok 10899
191: ok 10900
191: ok 10901
191: ok 10902
191: ok 10903
191: ok 10904
191: ok 10905
191: ok 10906
191: ok 10907
191: ok 10908
191: ok 10909
191: ok 10910
191: ok 10911
191: ok 10912
191: ok 10913
191: ok 10914
191: ok 10915
191: ok 10916
191: ok 10917
191: ok 10918
191: ok 10919
191: ok 10920
191: ok 10921
191: ok 10922
191: ok 10923
191: ok 10924
191: ok 10925
191: ok 10926
191: ok 10927
191: ok 10928
191: ok 10929
191: ok 10930
191: ok 10931
191: ok 10932
191: ok 10933
191: ok 10934
191: ok 10935
191: ok 10936
191: ok 10937
191: ok 10938
191: ok 10939
191: ok 10940
191: ok 10941
191: ok 10942
191: ok 10943
191: ok 10944
191: ok 10945
191: ok 10946
191: ok 10947
191: ok 10948
191: ok 10949
191: ok 10950
191: ok 10951
191: ok 10952
191: ok 10953
191: ok 10954
191: ok 10955
191: ok 10956
191: ok 10957
191: ok 10958
191: ok 10959
191: ok 10960
191: ok 10961
191: ok 10962
191: ok 10963
191: ok 10964
191: ok 10965
191: ok 10966
191: ok 10967
191: ok 10968
191: ok 10969
191: ok 10970
191: ok 10971
191: ok 10972
191: ok 10973
191: ok 10974
191: ok 10975
191: ok 10976
191: ok 10977
191: ok 10978
191: ok 10979
191: ok 10980
191: ok 10981
191: ok 10982
191: ok 10983
191: ok 10984
191: ok 10985
191: ok 10986
191: ok 10987
191: ok 10988
191: ok 10989
191: ok 10990
191: ok 10991
191: ok 10992
191: ok 10993
191: ok 10994
191: ok 10995
191: ok 10996
191: ok 10997
191: ok 10998
191: ok 10999
191: ok 11000
191: ok 11001
191: ok 11002
191: ok 11003
191: ok 11004
191: ok 11005
191: ok 11006
191: ok 11007
191: ok 11008
191: ok 11009
191: ok 11010
191: ok 11011
191: ok 11012
191: ok 11013
191: ok 11014
191: ok 11015
191: ok 11016
191: ok 11017
191: ok 11018
191: ok 11019
191: ok 11020
191: ok 11021
191: ok 11022
191: ok 11023
191: ok 11024
191: ok 11025
191: ok 11026
191: ok 11027
191: ok 11028
191: ok 11029
191: ok 11030
191: ok 11031
191: ok 11032
191: ok 11033
191: ok 11034
191: ok 11035
191: ok 11036
191: ok 11037
191: ok 11038
191: ok 11039
191: ok 11040
191: ok 11041
191: ok 11042
191: ok 11043
191: ok 11044
191: ok 11045
191: ok 11046
191: ok 11047
191: ok 11048
191: ok 11049
191: ok 11050
191: ok 11051
191: ok 11052
191: ok 11053
191: ok 11054
191: ok 11055
191: ok 11056
191: ok 11057
191: ok 11058
191: ok 11059
191: ok 11060
191: ok 11061
191: ok 11062
191: ok 11063
191: ok 11064
191: ok 11065
191: ok 11066
191: ok 11067
191: ok 11068
191: ok 11069
191: ok 11070
191: ok 11071
191: ok 11072
191: ok 11073
191: ok 11074
191: ok 11075
191: ok 11076
191: ok 11077
191: ok 11078
191: ok 11079
191: ok 11080
191: ok 11081
191: ok 11082
191: ok 11083
191: ok 11084
191: ok 11085
191: ok 11086
191: ok 11087
191: ok 11088
191: ok 11089
191: ok 11090
191: ok 11091
191: ok 11092
191: ok 11093
191: ok 11094
191: ok 11095
191: ok 11096
191: ok 11097
191: ok 11098
191: ok 11099
191: ok 11100
191: ok 11101
191: ok 11102
191: ok 11103
191: ok 11104
191: ok 11105
191: ok 11106
191: ok 11107
191: ok 11108
191: ok 11109
191: ok 11110
191: ok 11111
191: ok 11112
191: ok 11113
191: ok 11114
191: ok 11115
191: ok 11116
191: ok 11117
191: ok 11118
191: ok 11119
191: ok 11120
191: ok 11121
191: ok 11122
191: ok 11123
191: ok 11124
191: ok 11125
191: ok 11126
191: ok 11127
191: ok 11128
191: ok 11129
191: ok 11130
191: ok 11131
191: ok 11132
191: ok 11133
191: ok 11134
191: ok 11135
191: ok 11136
191: ok 11137
191: ok 11138
191: ok 11139
191: ok 11140
191: ok 11141
191: ok 11142
191: ok 11143
191: ok 11144
191: ok 11145
191: ok 11146
191: ok 11147
191: ok 11148
191: ok 11149
191: ok 11150
191: ok 11151
191: ok 11152
191: ok 11153
191: ok 11154
191: ok 11155
191: ok 11156
191: ok 11157
191: ok 11158
191: ok 11159
191: ok 11160
191: ok 11161
191: ok 11162
191: ok 11163
191: ok 11164
191: ok 11165
191: ok 11166
191: ok 11167
191: ok 11168
191: ok 11169
191: ok 11170
191: ok 11171
191: ok 11172
191: ok 11173
191: ok 11174
191: ok 11175
191: ok 11176
191: ok 11177
191: ok 11178
191: ok 11179
191: ok 11180
191: ok 11181
191: ok 11182
191: ok 11183
191: ok 11184
191: ok 11185
191: ok 11186
191: ok 11187
191: ok 11188
191: ok 11189
191: ok 11190
191: ok 11191
191: ok 11192
191: ok 11193
191: ok 11194
191: ok 11195
191: ok 11196
191: ok 11197
191: ok 11198
191: ok 11199
191: ok 11200
191: ok 11201
191: ok 11202
191: ok 11203
191: ok 11204
191: ok 11205
191: ok 11206
191: ok 11207
191: ok 11208
191: ok 11209
191: ok 11210
191: ok 11211
191: ok 11212
191: ok 11213
191: ok 11214
191: ok 11215
191: ok 11216
191: ok 11217
191: ok 11218
191: ok 11219
191: ok 11220
191: ok 11221
191: ok 11222
191: ok 11223
191: ok 11224
191: ok 11225
191: ok 11226
191: ok 11227
191: ok 11228
191: ok 11229
191: ok 11230
191: ok 11231
191: ok 11232
191: ok 11233
191: ok 11234
191: ok 11235
191: ok 11236
191: ok 11237
191: ok 11238
191: ok 11239
191: ok 11240
191: ok 11241
191: ok 11242
191: ok 11243
191: ok 11244
191: ok 11245
191: ok 11246
191: ok 11247
191: ok 11248
191: ok 11249
191: ok 11250
191: ok 11251
191: ok 11252
191: ok 11253
191: ok 11254
191: ok 11255
191: ok 11256
191: ok 11257
191: ok 11258
191: ok 11259
191: ok 11260
191: ok 11261
191: ok 11262
191: ok 11263
191: ok 11264
191: ok 11265
191: ok 11266
191: ok 11267
191: ok 11268
191: ok 11269
191: ok 11270
191: ok 11271
191: ok 11272
191: ok 11273
191: ok 11274
191: ok 11275
191: ok 11276
191: ok 11277
191: ok 11278
191: ok 11279
191: ok 11280
191: ok 11281
191: ok 11282
191: ok 11283
191: ok 11284
191: ok 11285
191: ok 11286
191: ok 11287
191: ok 11288
191: ok 11289
191: ok 11290
191: ok 11291
191: ok 11292
191: ok 11293
191: ok 11294
191: ok 11295
191: ok 11296
191: ok 11297
191: ok 11298
191: ok 11299
191: ok 11300
191: ok 11301
191: ok 11302
191: ok 11303
191: ok 11304
191: ok 11305
191: ok 11306
191: ok 11307
191: ok 11308
191: ok 11309
191: ok 11310
191: ok 11311
191: ok 11312
191: ok 11313
191: ok 11314
191: ok 11315
191: ok 11316
191: ok 11317
191: ok 11318
191: ok 11319
191: ok 11320
191: ok 11321
191: ok 11322
191: ok 11323
191: ok 11324
191: ok 11325
191: ok 11326
191: ok 11327
191: ok 11328
191: ok 11329
191: ok 11330
191: ok 11331
191: ok 11332
191: ok 11333
191: ok 11334
191: ok 11335
191: ok 11336
191: ok 11337
191: ok 11338
191: ok 11339
191: ok 11340
191: ok 11341
191: ok 11342
191: ok 11343
191: ok 11344
191: ok 11345
191: ok 11346
191: ok 11347
191: ok 11348
191: ok 11349
191: ok 11350
191: ok 11351
191: ok 11352
191: ok 11353
191: ok 11354
191: ok 11355
191: ok 11356
191: ok 11357
191: ok 11358
191: ok 11359
191: ok 11360
191: ok 11361
191: ok 11362
191: ok 11363
191: ok 11364
191: ok 11365
191: ok 11366
191: ok 11367
191: ok 11368
191: ok 11369
191: ok 11370
191: ok 11371
191: ok 11372
191: ok 11373
191: ok 11374
191: ok 11375
191: ok 11376
191: ok 11377
191: ok 11378
191: ok 11379
191: ok 11380
191: ok 11381
191: ok 11382
191: ok 11383
191: ok 11384
191: ok 11385
191: ok 11386
191: ok 11387
191: ok 11388
191: ok 11389
191: ok 11390
191: ok 11391
191: ok 11392
191: ok 11393
191: ok 11394
191: ok 11395
191: ok 11396
191: ok 11397
191: ok 11398
191: ok 11399
191: ok 11400
191: ok 11401
191: ok 11402
191: ok 11403
191: ok 11404
191: ok 11405
191: ok 11406
191: ok 11407
191: ok 11408
191: ok 11409
191: ok 11410
191: ok 11411
191: ok 11412
191: ok 11413
191: ok 11414
191: ok 11415
191: ok 11416
191: ok 11417
191: ok 11418
191: ok 11419
191: ok 11420
191: ok 11421
191: ok 11422
191: ok 11423
191: ok 11424
191: ok 11425
191: ok 11426
191: ok 11427
191: ok 11428
191: ok 11429
191: ok 11430
191: ok 11431
191: ok 11432
191: ok 11433
191: ok 11434
191: ok 11435
191: ok 11436
191: ok 11437
191: ok 11438
191: ok 11439
191: ok 11440
191: ok 11441
191: ok 11442
191: ok 11443
191: ok 11444
191: ok 11445
191: ok 11446
191: ok 11447
191: ok 11448
191: ok 11449
191: ok 11450
191: ok 11451
191: ok 11452
191: ok 11453
191: ok 11454
191: ok 11455
191: ok 11456
191: ok 11457
191: ok 11458
191: ok 11459
191: ok 11460
191: ok 11461
191: ok 11462
191: ok 11463
191: ok 11464
191: ok 11465
191: ok 11466
191: ok 11467
191: ok 11468
191: ok 11469
191: ok 11470
191: ok 11471
191: ok 11472
191: ok 11473
191: ok 11474
191: ok 11475
191: ok 11476
191: ok 11477
191: ok 11478
191: ok 11479
191: ok 11480
191: ok 11481
191: ok 11482
191: ok 11483
191: ok 11484
191: ok 11485
191: ok 11486
191: ok 11487
191: ok 11488
191: ok 11489
191: ok 11490
191: ok 11491
191: ok 11492
191: ok 11493
191: ok 11494
191: ok 11495
191: ok 11496
191: ok 11497
191: ok 11498
191: ok 11499
191: ok 11500
191: ok 11501
191: ok 11502
191: ok 11503
191: ok 11504
191: ok 11505
191: ok 11506
191: ok 11507
191: ok 11508
191: ok 11509
191: ok 11510
191: ok 11511
191: ok 11512
191: ok 11513
191: ok 11514
191: ok 11515
191: ok 11516
191: ok 11517
191: ok 11518
191: ok 11519
191: ok 11520
191: ok 11521
191: ok 11522
191: ok 11523
191: ok 11524
191: ok 11525
191: ok 11526
191: ok 11527
191: ok 11528
191: ok 11529
191: ok 11530
191: ok 11531
191: ok 11532
191: ok 11533
191: ok 11534
191: ok 11535
191: ok 11536
191: ok 11537
191: ok 11538
191: ok 11539
191: ok 11540
191: ok 11541
191: ok 11542
191: ok 11543
191: ok 11544
191: ok 11545
191: ok 11546
191: ok 11547
191: ok 11548
191: ok 11549
191: ok 11550
191: ok 11551
191: ok 11552
191: ok 11553
191: ok 11554
191: ok 11555
191: ok 11556
191: ok 11557
191: ok 11558
191: ok 11559
191: ok 11560
191: ok 11561
191: ok 11562
191: ok 11563
191: ok 11564
191: ok 11565
191: ok 11566
191: ok 11567
191: ok 11568
191: ok 11569
191: ok 11570
191: ok 11571
191: ok 11572
191: ok 11573
191: ok 11574
191: ok 11575
191: ok 11576
191: ok 11577
191: ok 11578
191: ok 11579
191: ok 11580
191: ok 11581
191: ok 11582
191: ok 11583
191: ok 11584
191: ok 11585
191: ok 11586
191: ok 11587
191: ok 11588
191: ok 11589
191: ok 11590
191: ok 11591
191: ok 11592
191: ok 11593
191: ok 11594
191: ok 11595
191: ok 11596
191: ok 11597
191: ok 11598
191: ok 11599
191: ok 11600
191: ok 11601
191: ok 11602
191: ok 11603
191: ok 11604
191: ok 11605
191: ok 11606
191: ok 11607
191: ok 11608
191: ok 11609
191: ok 11610
191: ok 11611
191: ok 11612
191: ok 11613
191: ok 11614
191: ok 11615
191: ok 11616
191: ok 11617
191: ok 11618
191: ok 11619
191: ok 11620
191: ok 11621
191: ok 11622
191: ok 11623
191: ok 11624
191: ok 11625
191: ok 11626
191: ok 11627
191: ok 11628
191: ok 11629
191: ok 11630
191: ok 11631
191: ok 11632
191: ok 11633
191: ok 11634
191: ok 11635
191: ok 11636
191: ok 11637
191: ok 11638
191: ok 11639
191: ok 11640
191: ok 11641
191: ok 11642
191: ok 11643
191: ok 11644
191: ok 11645
191: ok 11646
191: ok 11647
191: ok 11648
191: ok 11649
191: ok 11650
191: ok 11651
191: ok 11652
191: ok 11653
191: ok 11654
191: ok 11655
191: ok 11656
191: ok 11657
191: ok 11658
191: ok 11659
191: ok 11660
191: ok 11661
191: ok 11662
191: ok 11663
191: ok 11664
191: ok 11665
191: ok 11666
191: ok 11667
191: ok 11668
191: ok 11669
191: ok 11670
191: ok 11671
191: ok 11672
191: ok 11673
191: ok 11674
191: ok 11675
191: ok 11676
191: ok 11677
191: ok 11678
191: ok 11679
191: ok 11680
191: ok 11681
191: ok 11682
191: ok 11683
191: ok 11684
191: ok 11685
191: ok 11686
191: ok 11687
191: ok 11688
191: ok 11689
191: ok 11690
191: ok 11691
191: ok 11692
191: ok 11693
191: ok 11694
191: ok 11695
191: ok 11696
191: ok 11697
191: ok 11698
191: ok 11699
191: ok 11700
191: ok 11701
191: ok 11702
191: ok 11703
191: ok 11704
191: ok 11705
191: ok 11706
191: ok 11707
191: ok 11708
191: ok 11709
191: ok 11710
191: ok 11711
191: ok 11712
191: ok 11713
191: ok 11714
191: ok 11715
191: ok 11716
191: ok 11717
191: ok 11718
191: ok 11719
191: ok 11720
191: ok 11721
191: ok 11722
191: ok 11723
191: ok 11724
191: ok 11725
191: ok 11726
191: ok 11727
191: ok 11728
191: ok 11729
191: ok 11730
191: ok 11731
191: ok 11732
191: ok 11733
191: ok 11734
191: ok 11735
191: ok 11736
191: ok 11737
191: ok 11738
191: ok 11739
191: ok 11740
191: ok 11741
191: ok 11742
191: ok 11743
191: ok 11744
191: ok 11745
191: ok 11746
191: ok 11747
191: ok 11748
191: ok 11749
191: ok 11750
191: ok 11751
191: ok 11752
191: ok 11753
191: ok 11754
191: ok 11755
191: ok 11756
191: ok 11757
191: ok 11758
191: ok 11759
191: ok 11760
191: ok 11761
191: ok 11762
191: ok 11763
191: ok 11764
191: ok 11765
191: ok 11766
191: ok 11767
191: ok 11768
191: ok 11769
191: ok 11770
191: ok 11771
191: ok 11772
191: ok 11773
191: ok 11774
191: ok 11775
191: ok 11776
191: ok 11777
191: ok 11778
191: ok 11779
191: ok 11780
191: ok 11781
191: ok 11782
191: ok 11783
191: ok 11784
191: ok 11785
191: ok 11786
191: ok 11787
191: ok 11788
191: ok 11789
191: ok 11790
191: ok 11791
191: ok 11792
191: ok 11793
191: ok 11794
191: ok 11795
191: ok 11796
191: ok 11797
191: ok 11798
191: ok 11799
191: ok 11800
191: ok 11801
191: ok 11802
191: ok 11803
191: ok 11804
191: ok 11805
191: ok 11806
191: ok 11807
191: ok 11808
191: ok 11809
191: ok 11810
191: ok 11811
191: ok 11812
191: ok 11813
191: ok 11814
191: ok 11815
191: ok 11816
191: ok 11817
191: ok 11818
191: ok 11819
191: ok 11820
191: ok 11821
191: ok 11822
191: ok 11823
191: ok 11824
191: ok 11825
191: ok 11826
191: ok 11827
191: ok 11828
191: ok 11829
191: ok 11830
191: ok 11831
191: ok 11832
191: ok 11833
191: ok 11834
191: ok 11835
191: ok 11836
191: ok 11837
191: ok 11838
191: ok 11839
191: ok 11840
191: ok 11841
191: ok 11842
191: ok 11843
191: ok 11844
191: ok 11845
191: ok 11846
191: ok 11847
191: ok 11848
191: ok 11849
191: ok 11850
191: ok 11851
191: ok 11852
191: ok 11853
191: ok 11854
191: ok 11855
191: ok 11856
191: ok 11857
191: ok 11858
191: ok 11859
191: ok 11860
191: ok 11861
191: ok 11862
191: ok 11863
191: ok 11864
191: ok 11865
191: ok 11866
191: ok 11867
191: ok 11868
191: ok 11869
191: ok 11870
191: ok 11871
191: ok 11872
191: ok 11873
191: ok 11874
191: ok 11875
191: ok 11876
191: ok 11877
191: ok 11878
191: ok 11879
191: ok 11880
191: ok 11881
191: ok 11882
191: ok 11883
191: ok 11884
191: ok 11885
191: ok 11886
191: ok 11887
191: ok 11888
191: ok 11889
191: ok 11890
191: ok 11891
191: ok 11892
191: ok 11893
191: ok 11894
191: ok 11895
191: ok 11896
191: ok 11897
191: ok 11898
191: ok 11899
191: ok 11900
191: ok 11901
191: ok 11902
191: ok 11903
191: ok 11904
191: ok 11905
191: ok 11906
191: ok 11907
191: ok 11908
191: ok 11909
191: ok 11910
191: ok 11911
191: ok 11912
191: ok 11913
191: ok 11914
191: ok 11915
191: ok 11916
191: ok 11917
191: ok 11918
191: ok 11919
191: ok 11920
191: ok 11921
191: ok 11922
191: ok 11923
191: ok 11924
191: ok 11925
191: ok 11926
191: ok 11927
191: ok 11928
191: ok 11929
191: ok 11930
191: ok 11931
191: ok 11932
191: ok 11933
191: ok 11934
191: ok 11935
191: ok 11936
191: ok 11937
191: ok 11938
191: ok 11939
191: ok 11940
191: ok 11941
191: ok 11942
191: ok 11943
191: ok 11944
191: ok 11945
191: ok 11946
191: ok 11947
191: ok 11948
191: ok 11949
191: ok 11950
191: ok 11951
191: ok 11952
191: ok 11953
191: ok 11954
191: ok 11955
191: ok 11956
191: ok 11957
191: ok 11958
191: ok 11959
191: ok 11960
191: ok 11961
191: ok 11962
191: ok 11963
191: ok 11964
191: ok 11965
191: ok 11966
191: ok 11967
191: ok 11968
191: ok 11969
191: ok 11970
191: ok 11971
191: ok 11972
191: ok 11973
191: ok 11974
191: ok 11975
191: ok 11976
191: ok 11977
191: ok 11978
191: ok 11979
191: ok 11980
191: ok 11981
191: ok 11982
191: ok 11983
191: ok 11984
191: ok 11985
191: ok 11986
191: ok 11987
191: ok 11988
191: ok 11989
191: ok 11990
191: ok 11991
191: ok 11992
191: ok 11993
191: ok 11994
191: ok 11995
191: ok 11996
191: ok 11997
191: ok 11998
191: ok 11999
191: ok 12000
191: ok 12001
191: ok 12002
191: ok 12003
191: ok 12004
191: ok 12005
191: ok 12006
191: ok 12007
191: ok 12008
191: ok 12009
191: ok 12010
191: ok 12011
191: ok 12012
191: ok 12013
191: ok 12014
191: ok 12015
191: ok 12016
191: ok 12017
191: ok 12018
191: ok 12019
191: ok 12020
191: ok 12021
191: ok 12022
191: ok 12023
191: ok 12024
191: ok 12025
191: ok 12026
191: ok 12027
191: ok 12028
191: ok 12029
191: ok 12030
191: ok 12031
191: ok 12032
191: ok 12033
191: ok 12034
191: ok 12035
191: ok 12036
191: ok 12037
191: ok 12038
191: ok 12039
191: ok 12040
191: ok 12041
191: ok 12042
191: ok 12043
191: ok 12044
191: ok 12045
191: ok 12046
191: ok 12047
191: ok 12048
191: ok 12049
191: ok 12050
191: ok 12051
191: ok 12052
191: ok 12053
191: ok 12054
191: ok 12055
191: ok 12056
191: ok 12057
191: ok 12058
191: ok 12059
191: ok 12060
191: ok 12061
191: ok 12062
191: ok 12063
191: ok 12064
191: ok 12065
191: ok 12066
191: ok 12067
191: ok 12068
191: ok 12069
191: ok 12070
191: ok 12071
191: ok 12072
191: ok 12073
191: ok 12074
191: ok 12075
191: ok 12076
191: ok 12077
191: ok 12078
191: ok 12079
191: ok 12080
191: ok 12081
191: ok 12082
191: ok 12083
191: ok 12084
191: ok 12085
191: ok 12086
191: ok 12087
191: ok 12088
191: ok 12089
191: ok 12090
191: ok 12091
191: ok 12092
191: ok 12093
191: ok 12094
191: ok 12095
191: ok 12096
191: ok 12097
191: ok 12098
191: ok 12099
191: ok 12100
191: ok 12101
191: ok 12102
191: ok 12103
191: ok 12104
191: ok 12105
191: ok 12106
191: ok 12107
191: ok 12108
191: ok 12109
191: ok 12110
191: ok 12111
191: ok 12112
191: ok 12113
191: ok 12114
191: ok 12115
191: ok 12116
191: ok 12117
191: ok 12118
191: ok 12119
191: ok 12120
191: ok 12121
191: ok 12122
191: ok 12123
191: ok 12124
191: ok 12125
191: ok 12126
191: ok 12127
191: ok 12128
191: ok 12129
191: ok 12130
191: ok 12131
191: ok 12132
191: ok 12133
191: ok 12134
191: ok 12135
191: ok 12136
191: ok 12137
191: ok 12138
191: ok 12139
191: ok 12140
191: ok 12141
191: ok 12142
191: ok 12143
191: ok 12144
191: ok 12145
191: ok 12146
191: ok 12147
191: ok 12148
191: ok 12149
191: ok 12150
191: ok 12151
191: ok 12152
191: ok 12153
191: ok 12154
191: ok 12155
191: ok 12156
191: ok 12157
191: ok 12158
191: ok 12159
191: ok 12160
191: ok 12161
191: ok 12162
191: ok 12163
191: ok 12164
191: ok 12165
191: ok 12166
191: ok 12167
191: ok 12168
191: ok 12169
191: ok 12170
191: ok 12171
191: ok 12172
191: ok 12173
191: ok 12174
191: ok 12175
191: ok 12176
191: ok 12177
191: ok 12178
191: ok 12179
191: ok 12180
191: ok 12181
191: ok 12182
191: ok 12183
191: ok 12184
191: ok 12185
191: ok 12186
191: ok 12187
191: ok 12188
191: ok 12189
191: ok 12190
191: ok 12191
191: ok 12192
191: ok 12193
191: ok 12194
191: ok 12195
191: ok 12196
191: ok 12197
191: ok 12198
191: ok 12199
191: ok 12200
191: ok 12201
191: ok 12202
191: ok 12203
191: ok 12204
191: ok 12205
191: ok 12206
191: ok 12207
191: ok 12208
191: ok 12209
191: ok 12210
191: ok 12211
191: ok 12212
191: ok 12213
191: ok 12214
191: ok 12215
191: ok 12216
191: ok 12217
191: ok 12218
191: ok 12219
191: ok 12220
191: ok 12221
191: ok 12222
191: ok 12223
191: ok 12224
191: ok 12225
191: ok 12226
191: ok 12227
191: ok 12228
191: ok 12229
191: ok 12230
191: ok 12231
191: ok 12232
191: ok 12233
191: ok 12234
191: ok 12235
191: ok 12236
191: ok 12237
191: ok 12238
191: ok 12239
191: ok 12240
191: ok 12241
191: ok 12242
191: ok 12243
191: ok 12244
191: ok 12245
191: ok 12246
191: ok 12247
191: ok 12248
191: ok 12249
191: ok 12250
191: ok 12251
191: ok 12252
191: ok 12253
191: ok 12254
191: ok 12255
191: ok 12256
191: ok 12257
191: ok 12258
191: ok 12259
191: ok 12260
191: ok 12261
191: ok 12262
191: ok 12263
191: ok 12264
191: ok 12265
191: ok 12266
191: ok 12267
191: ok 12268
191: ok 12269
191: ok 12270
191: ok 12271
191: ok 12272
191: ok 12273
191: ok 12274
191: ok 12275
191: ok 12276
191: ok 12277
191: ok 12278
191: ok 12279
191: ok 12280
191: ok 12281
191: ok 12282
191: ok 12283
191: ok 12284
191: ok 12285
191: ok 12286
191: ok 12287
191: ok 12288
191: ok 12289
191: ok 12290
191: ok 12291
191: ok 12292
191: ok 12293
191: ok 12294
191: ok 12295
191: ok 12296
191: ok 12297
191: ok 12298
191: ok 12299
191: ok 12300
191: ok 12301
191: ok 12302
191: ok 12303
191: ok 12304
191: ok 12305
191: ok 12306
191: ok 12307
191: ok 12308
191: ok 12309
191: ok 12310
191: ok 12311
191: ok 12312
191: ok 12313
191: ok 12314
191: ok 12315
191: ok 12316
191: ok 12317
191: ok 12318
191: ok 12319
191: ok 12320
191: ok 12321
191: ok 12322
191: ok 12323
191: ok 12324
191: ok 12325
191: ok 12326
191: ok 12327
191: ok 12328
191: ok 12329
191: ok 12330
191: ok 12331
191: ok 12332
191: ok 12333
191: ok 12334
191: ok 12335
191: ok 12336
191: ok 12337
191: ok 12338
191: ok 12339
191: ok 12340
191: ok 12341
191: ok 12342
191: ok 12343
191: ok 12344
191: ok 12345
191: ok 12346
191: ok 12347
191: ok 12348
191: ok 12349
191: ok 12350
191: ok 12351
191: ok 12352
191: ok 12353
191: ok 12354
191: ok 12355
191: ok 12356
191: ok 12357
191: ok 12358
191: ok 12359
191: ok 12360
191: ok 12361
191: ok 12362
191: ok 12363
191: ok 12364
191: ok 12365
191: ok 12366
191: ok 12367
191: ok 12368
191: ok 12369
191: ok 12370
191: ok 12371
191: ok 12372
191: ok 12373
191: ok 12374
191: ok 12375
191: ok 12376
191: ok 12377
191: ok 12378
191: ok 12379
191: ok 12380
191: ok 12381
191: ok 12382
191: ok 12383
191: ok 12384
191: ok 12385
191: ok 12386
191: ok 12387
191: ok 12388
191: ok 12389
191: ok 12390
191: ok 12391
191: ok 12392
191: ok 12393
191: ok 12394
191: ok 12395
191: ok 12396
191: ok 12397
191: ok 12398
191: ok 12399
191: ok 12400
191: ok 12401
191: ok 12402
191: ok 12403
191: ok 12404
191: ok 12405
191: ok 12406
191: ok 12407
191: ok 12408
191: ok 12409
191: ok 12410
191: ok 12411
191: ok 12412
191: ok 12413
191: ok 12414
191: ok 12415
191: ok 12416
191: ok 12417
191: ok 12418
191: ok 12419
191: ok 12420
191: ok 12421
191: ok 12422
191: ok 12423
191: ok 12424
191: ok 12425
191: ok 12426
191: ok 12427
191: ok 12428
191: ok 12429
191: ok 12430
191: ok 12431
191: ok 12432
191: ok 12433
191: ok 12434
191: ok 12435
191: ok 12436
191: ok 12437
191: ok 12438
191: ok 12439
191: ok 12440
191: ok 12441
191: ok 12442
191: ok 12443
191: ok 12444
191: ok 12445
191: ok 12446
191: ok 12447
191: ok 12448
191: ok 12449
191: ok 12450
191: ok 12451
191: ok 12452
191: ok 12453
191: ok 12454
191: ok 12455
191: ok 12456
191: ok 12457
191: ok 12458
191: ok 12459
191: ok 12460
191: ok 12461
191: ok 12462
191: ok 12463
191: ok 12464
191: ok 12465
191: ok 12466
191: ok 12467
191: ok 12468
191: ok 12469
191: ok 12470
191: ok 12471
191: ok 12472
191: ok 12473
191: ok 12474
191: ok 12475
191: ok 12476
191: ok 12477
191: ok 12478
191: ok 12479
191: ok 12480
191: ok 12481
191: ok 12482
191: ok 12483
191: ok 12484
191: ok 12485
191: ok 12486
191: ok 12487
191: ok 12488
191: ok 12489
191: ok 12490
191: ok 12491
191: ok 12492
191: ok 12493
191: ok 12494
191: ok 12495
191: ok 12496
191: ok 12497
191: ok 12498
191: ok 12499
191: ok 12500
191: ok 12501
191: ok 12502
191: ok 12503
191: ok 12504
191: ok 12505
191: ok 12506
191: ok 12507
191: ok 12508
191: ok 12509
191: ok 12510
191: ok 12511
191: ok 12512
191: ok 12513
191: ok 12514
191: ok 12515
191: ok 12516
191: ok 12517
191: ok 12518
191: ok 12519
191: ok 12520
191: ok 12521
191: ok 12522
191: ok 12523
191: ok 12524
191: ok 12525
191: ok 12526
191: ok 12527
191: ok 12528
191: ok 12529
191: ok 12530
191: ok 12531
191: ok 12532
191: ok 12533
191: ok 12534
191: ok 12535
191: ok 12536
191: ok 12537
191: ok 12538
191: ok 12539
191: ok 12540
191: ok 12541
191: ok 12542
191: ok 12543
191: ok 12544
191: ok 12545
191: ok 12546
191: ok 12547
191: ok 12548
191: ok 12549
191: ok 12550
191: ok 12551
191: ok 12552
191: ok 12553
191: ok 12554
191: ok 12555
191: ok 12556
191: ok 12557
191: ok 12558
191: ok 12559
191: ok 12560
191: ok 12561
191: ok 12562
191: ok 12563
191: ok 12564
191: ok 12565
191: ok 12566
191: ok 12567
191: ok 12568
191: ok 12569
191: ok 12570
191: ok 12571
191: ok 12572
191: ok 12573
191: ok 12574
191: ok 12575
191: ok 12576
191: ok 12577
191: ok 12578
191: ok 12579
191: ok 12580
191: ok 12581
191: ok 12582
191: ok 12583
191: ok 12584
191: ok 12585
191: ok 12586
191: ok 12587
191: ok 12588
191: ok 12589
191: ok 12590
191: ok 12591
191: ok 12592
191: ok 12593
191: ok 12594
191: ok 12595
191: ok 12596
191: ok 12597
191: ok 12598
191: ok 12599
191: ok 12600
191: ok 12601
191: ok 12602
191: ok 12603
191: ok 12604
191: ok 12605
191: ok 12606
191: ok 12607
191: ok 12608
191: ok 12609
191: ok 12610
191: ok 12611
191: ok 12612
191: ok 12613
191: ok 12614
191: ok 12615
191: ok 12616
191: ok 12617
191: ok 12618
191: ok 12619
191: ok 12620
191: ok 12621
191: ok 12622
191: ok 12623
191: ok 12624
191: ok 12625
191: ok 12626
191: ok 12627
191: ok 12628
191: ok 12629
191: ok 12630
191: ok 12631
191: ok 12632
191: ok 12633
191: ok 12634
191: ok 12635
191: ok 12636
191: ok 12637
191: ok 12638
191: ok 12639
191: ok 12640
191: ok 12641
191: ok 12642
191: ok 12643
191: ok 12644
191: ok 12645
191: ok 12646
191: ok 12647
191: ok 12648
191: ok 12649
191: ok 12650
191: ok 12651
191: ok 12652
191: ok 12653
191: ok 12654
191: ok 12655
191: ok 12656
191: ok 12657
191: ok 12658
191: ok 12659
191: ok 12660
191: ok 12661
191: ok 12662
191: ok 12663
191: ok 12664
191: ok 12665
191: ok 12666
191: ok 12667
191: ok 12668
191: ok 12669
191: ok 12670
191: ok 12671
191: ok 12672
191: ok 12673
191: ok 12674
191: ok 12675
191: ok 12676
191: ok 12677
191: ok 12678
191: ok 12679
191: ok 12680
191: ok 12681
191: ok 12682
191: ok 12683
191: ok 12684
191: ok 12685
191: ok 12686
191: ok 12687
191: ok 12688
191: ok 12689
191: ok 12690
191: ok 12691
191: ok 12692
191: ok 12693
191: ok 12694
191: ok 12695
191: ok 12696
191: ok 12697
191: ok 12698
191: ok 12699
191: ok 12700
191: ok 12701
191: ok 12702
191: ok 12703
191: ok 12704
191: ok 12705
191: ok 12706
191: ok 12707
191: ok 12708
191: ok 12709
191: ok 12710
191: ok 12711
191: ok 12712
191: ok 12713
191: ok 12714
191: ok 12715
191: ok 12716
191: ok 12717
191: ok 12718
191: ok 12719
191: ok 12720
191: ok 12721
191: ok 12722
191: ok 12723
191: ok 12724
191: ok 12725
191: ok 12726
191: ok 12727
191: ok 12728
191: ok 12729
191: ok 12730
191: ok 12731
191: ok 12732
191: ok 12733
191: ok 12734
191: ok 12735
191: ok 12736
191: ok 12737
191: ok 12738
191: ok 12739
191: ok 12740
191: ok 12741
191: ok 12742
191: ok 12743
191: ok 12744
191: ok 12745
191: ok 12746
191: ok 12747
191: ok 12748
191: ok 12749
191: ok 12750
191: ok 12751
191: ok 12752
191: ok 12753
191: ok 12754
191: ok 12755
191: ok 12756
191: ok 12757
191: ok 12758
191: ok 12759
191: ok 12760
191: ok 12761
191: ok 12762
191: ok 12763
191: ok 12764
191: ok 12765
191: ok 12766
191: ok 12767
191: ok 12768
191: ok 12769
191: ok 12770
191: ok 12771
191: ok 12772
191: ok 12773
191: ok 12774
191: ok 12775
191: ok 12776
191: ok 12777
191: ok 12778
191: ok 12779
191: ok 12780
191: ok 12781
191: ok 12782
191: ok 12783
191: ok 12784
191: ok 12785
191: ok 12786
191: ok 12787
191: ok 12788
191: ok 12789
191: ok 12790
191: ok 12791
191: ok 12792
191: ok 12793
191: ok 12794
191: ok 12795
191: ok 12796
191: ok 12797
191: ok 12798
191: ok 12799
191: ok 12800
191: ok 12801
191: ok 12802
191: ok 12803
191: ok 12804
191: ok 12805
191: ok 12806
191: ok 12807
191: ok 12808
191: ok 12809
191: ok 12810
191: ok 12811
191: ok 12812
191: ok 12813
191: ok 12814
191: ok 12815
191: ok 12816
191: ok 12817
191: ok 12818
191: ok 12819
191: ok 12820
191: ok 12821
191: ok 12822
191: ok 12823
191: ok 12824
191: ok 12825
191: ok 12826
191: ok 12827
191: ok 12828
191: ok 12829
191: ok 12830
191: ok 12831
191: ok 12832
191: ok 12833
191: ok 12834
191: ok 12835
191: ok 12836
191: ok 12837
191: ok 12838
191: ok 12839
191: ok 12840
191: ok 12841
191: ok 12842
191: ok 12843
191: ok 12844
191: ok 12845
191: ok 12846
191: ok 12847
191: ok 12848
191: ok 12849
191: ok 12850
191: ok 12851
191: ok 12852
191: ok 12853
191: ok 12854
191: ok 12855
191: ok 12856
191: ok 12857
191: ok 12858
191: ok 12859
191: ok 12860
191: ok 12861
191: ok 12862
191: ok 12863
191: ok 12864
191: ok 12865
191: ok 12866
191: ok 12867
191: ok 12868
191: ok 12869
191: ok 12870
191: ok 12871
191: ok 12872
191: ok 12873
191: ok 12874
191: ok 12875
191: ok 12876
191: ok 12877
191: ok 12878
191: ok 12879
191: ok 12880
191: ok 12881
191: ok 12882
191: ok 12883
191: ok 12884
191: ok 12885
191: ok 12886
191: ok 12887
191: ok 12888
191: ok 12889
191: ok 12890
191: ok 12891
191: ok 12892
191: ok 12893
191: ok 12894
191: ok 12895
191: ok 12896
191: ok 12897
191: ok 12898
191: ok 12899
191: ok 12900
191: ok 12901
191: ok 12902
191: ok 12903
191: ok 12904
191: ok 12905
191: ok 12906
191: ok 12907
191: ok 12908
191: ok 12909
191: ok 12910
191: ok 12911
191: ok 12912
191: ok 12913
191: ok 12914
191: ok 12915
191: ok 12916
191: ok 12917
191: ok 12918
191: ok 12919
191: ok 12920
191: ok 12921
191: ok 12922
191: ok 12923
191: ok 12924
191: ok 12925
191: ok 12926
191: ok 12927
191: ok 12928
191: ok 12929
191: ok 12930
191: ok 12931
191: ok 12932
191: ok 12933
191: ok 12934
191: ok 12935
191: ok 12936
191: ok 12937
191: ok 12938
191: ok 12939
191: ok 12940
191: ok 12941
191: ok 12942
191: ok 12943
191: ok 12944
191: ok 12945
191: ok 12946
191: ok 12947
191: ok 12948
191: ok 12949
191: ok 12950
191: ok 12951
191: ok 12952
191: ok 12953
191: ok 12954
191: ok 12955
191: ok 12956
191: ok 12957
191: ok 12958
191: ok 12959
191: ok 12960
191: ok 12961
191: ok 12962
191: ok 12963
191: ok 12964
191: ok 12965
191: ok 12966
191: ok 12967
191: ok 12968
191: ok 12969
191: ok 12970
191: ok 12971
191: ok 12972
191: ok 12973
191: ok 12974
191: ok 12975
191: ok 12976
191: ok 12977
191: ok 12978
191: ok 12979
191: ok 12980
191: ok 12981
191: ok 12982
191: ok 12983
191: ok 12984
191: ok 12985
191: ok 12986
191: ok 12987
191: ok 12988
191: ok 12989
191: ok 12990
191: ok 12991
191: ok 12992
191: ok 12993
191: ok 12994
191: ok 12995
191: ok 12996
191: ok 12997
191: ok 12998
191: ok 12999
191: ok 13000
191: ok 13001
191: ok 13002
191: ok 13003
191: ok 13004
191: ok 13005
191: ok 13006
191: ok 13007
191: ok 13008
191: ok 13009
191: ok 13010
191: ok 13011
191: ok 13012
191: ok 13013
191: ok 13014
191: ok 13015
191: ok 13016
191: ok 13017
191: ok 13018
191: ok 13019
191: ok 13020
191: ok 13021
191: ok 13022
191: ok 13023
191: ok 13024
191: ok 13025
191: ok 13026
191: ok 13027
191: ok 13028
191: ok 13029
191: ok 13030
191: ok 13031
191: ok 13032
191: ok 13033
191: ok 13034
191: ok 13035
191: ok 13036
191: ok 13037
191: ok 13038
191: ok 13039
191: ok 13040
191: ok 13041
191: ok 13042
191: ok 13043
191: ok 13044
191: ok 13045
191: ok 13046
191: ok 13047
191: ok 13048
191: ok 13049
191: ok 13050
191: ok 13051
191: ok 13052
191: ok 13053
191: ok 13054
191: ok 13055
191: ok 13056
191: ok 13057
191: ok 13058
191: ok 13059
191: ok 13060
191: ok 13061
191: ok 13062
191: ok 13063
191: ok 13064
191: ok 13065
191: ok 13066
191: ok 13067
191: ok 13068
191: ok 13069
191: ok 13070
191: ok 13071
191: ok 13072
191: ok 13073
191: ok 13074
191: ok 13075
191: ok 13076
191: ok 13077
191: ok 13078
191: ok 13079
191: ok 13080
191: ok 13081
191: ok 13082
191: ok 13083
191: ok 13084
191: ok 13085
191: ok 13086
191: ok 13087
191: ok 13088
191: ok 13089
191: ok 13090
191: ok 13091
191: ok 13092
191: ok 13093
191: ok 13094
191: ok 13095
191: ok 13096
191: ok 13097
191: ok 13098
191: ok 13099
191: ok 13100
191: ok 13101
191: ok 13102
191: ok 13103
191: ok 13104
191: ok 13105
191: ok 13106
191: ok 13107
191: ok 13108
191: ok 13109
191: ok 13110
191: ok 13111
191: ok 13112
191: ok 13113
191: ok 13114
191: ok 13115
191: ok 13116
191: ok 13117
191: ok 13118
191: ok 13119
191: ok 13120
191: ok 13121
191: ok 13122
191: ok 13123
191: ok 13124
191: ok 13125
191: ok 13126
191: ok 13127
191: ok 13128
191: ok 13129
191: ok 13130
191: ok 13131
191: ok 13132
191: ok 13133
191: ok 13134
191: ok 13135
191: ok 13136
191: ok 13137
191: ok 13138
191: ok 13139
191: ok 13140
191: ok 13141
191: ok 13142
191: ok 13143
191: ok 13144
191: ok 13145
191: ok 13146
191: ok 13147
191: ok 13148
191: ok 13149
191: ok 13150
191: ok 13151
191: ok 13152
191: ok 13153
191: ok 13154
191: ok 13155
191: ok 13156
191: ok 13157
191: ok 13158
191: ok 13159
191: ok 13160
191: ok 13161
191: ok 13162
191: ok 13163
191: ok 13164
191: ok 13165
191: ok 13166
191: ok 13167
191: ok 13168
191: ok 13169
191: ok 13170
191: ok 13171
191: ok 13172
191: ok 13173
191: ok 13174
191: ok 13175
191: ok 13176
191: ok 13177
191: ok 13178
191: ok 13179
191: ok 13180
191: ok 13181
191: ok 13182
191: ok 13183
191: ok 13184
191: ok 13185
191: ok 13186
191: ok 13187
191: ok 13188
191: ok 13189
191: ok 13190
191: ok 13191
191: ok 13192
191: ok 13193
191: ok 13194
191: ok 13195
191: ok 13196
191: ok 13197
191: ok 13198
191: ok 13199
191: ok 13200
191: ok 13201
191: ok 13202
191: ok 13203
191: ok 13204
191: ok 13205
191: ok 13206
191: ok 13207
191: ok 13208
191: ok 13209
191: ok 13210
191: ok 13211
191: ok 13212
191: ok 13213
191: ok 13214
191: ok 13215
191: ok 13216
191: ok 13217
191: ok 13218
191: ok 13219
191: ok 13220
191: ok 13221
191: ok 13222
191: ok 13223
191: ok 13224
191: ok 13225
191: ok 13226
191: ok 13227
191: ok 13228
191: ok 13229
191: ok 13230
191: ok 13231
191: ok 13232
191: ok 13233
191: ok 13234
191: ok 13235
191: ok 13236
191: ok 13237
191: ok 13238
191: ok 13239
191: ok 13240
191: ok 13241
191: ok 13242
191: ok 13243
191: ok 13244
191: ok 13245
191: ok 13246
191: ok 13247
191: ok 13248
191: ok 13249
191: ok 13250
191: ok 13251
191: ok 13252
191: ok 13253
191: ok 13254
191: ok 13255
191: ok 13256
191: ok 13257
191: ok 13258
191: ok 13259
191: ok 13260
191: ok 13261
191: ok 13262
191: ok 13263
191: ok 13264
191: ok 13265
191: ok 13266
191: ok 13267
191: ok 13268
191: ok 13269
191: ok 13270
191: ok 13271
191: ok 13272
191: ok 13273
191: ok 13274
191: ok 13275
191: ok 13276
191: ok 13277
191: ok 13278
191: ok 13279
191: ok 13280
191: ok 13281
191: ok 13282
191: ok 13283
191: ok 13284
191: ok 13285
191: ok 13286
191: ok 13287
191: ok 13288
191: ok 13289
191: ok 13290
191: ok 13291
191: ok 13292
191: ok 13293
191: ok 13294
191: ok 13295
191: ok 13296
191: ok 13297
191: ok 13298
191: ok 13299
191: ok 13300
191: ok 13301
191: ok 13302
191: ok 13303
191: ok 13304
191: ok 13305
191: ok 13306
191: ok 13307
191: ok 13308
191: ok 13309
191: ok 13310
191: ok 13311
191: ok 13312
191: ok 13313
191: ok 13314
191: ok 13315
191: ok 13316
191: ok 13317
191: ok 13318
191: ok 13319
191: ok 13320
191: ok 13321
191: ok 13322
191: ok 13323
191: ok 13324
191: ok 13325
191: ok 13326
191: ok 13327
191: ok 13328
191: ok 13329
191: ok 13330
191: ok 13331
191: ok 13332
191: ok 13333
191: ok 13334
191: ok 13335
191: ok 13336
191: ok 13337
191: ok 13338
191: ok 13339
191: ok 13340
191: ok 13341
191: ok 13342
191: ok 13343
191: ok 13344
191: ok 13345
191: ok 13346
191: ok 13347
191: ok 13348
191: ok 13349
191: ok 13350
191: ok 13351
191: ok 13352
191: ok 13353
191: ok 13354
191: ok 13355
191: ok 13356
191: ok 13357
191: ok 13358
191: ok 13359
191: ok 13360
191: ok 13361
191: ok 13362
191: ok 13363
191: ok 13364
191: ok 13365
191: ok 13366
191: ok 13367
191: ok 13368
191: ok 13369
191: ok 13370
191: ok 13371
191: ok 13372
191: ok 13373
191: ok 13374
191: ok 13375
191: ok 13376
191: ok 13377
191: ok 13378
191: ok 13379
191: ok 13380
191: ok 13381
191: ok 13382
191: ok 13383
191: ok 13384
191: ok 13385
191: ok 13386
191: ok 13387
191: ok 13388
191: ok 13389
191: ok 13390
191: ok 13391
191: ok 13392
191: ok 13393
191: ok 13394
191: ok 13395
191: ok 13396
191: ok 13397
191: ok 13398
191: ok 13399
191: ok 13400
191: ok 13401
191: ok 13402
191: ok 13403
191: ok 13404
191: ok 13405
191: ok 13406
191: ok 13407
191: ok 13408
191: ok 13409
191: ok 13410
191: ok 13411
191: ok 13412
191: ok 13413
191: ok 13414
191: ok 13415
191: ok 13416
191: ok 13417
191: ok 13418
191: ok 13419
191: ok 13420
191: ok 13421
191: ok 13422
191: ok 13423
191: ok 13424
191: ok 13425
191: ok 13426
191: ok 13427
191: ok 13428
191: ok 13429
191: ok 13430
191: ok 13431
191: ok 13432
191: ok 13433
191: ok 13434
191: ok 13435
191: ok 13436
191: ok 13437
191: ok 13438
191: ok 13439
191: ok 13440
191: ok 13441
191: ok 13442
191: ok 13443
191: ok 13444
191: ok 13445
191: ok 13446
191: ok 13447
191: ok 13448
191: ok 13449
191: ok 13450
191: ok 13451
191: ok 13452
191: ok 13453
191: ok 13454
191: ok 13455
191: ok 13456
191: ok 13457
191: ok 13458
191: ok 13459
191: ok 13460
191: ok 13461
191: ok 13462
191: ok 13463
191: ok 13464
191: ok 13465
191: ok 13466
191: ok 13467
191: ok 13468
191: ok 13469
191: ok 13470
191: ok 13471
191: ok 13472
191: ok 13473
191: ok 13474
191: ok 13475
191: ok 13476
191: ok 13477
191: ok 13478
191: ok 13479
191: ok 13480
191: ok 13481
191: ok 13482
191: ok 13483
191: ok 13484
191: ok 13485
191: ok 13486
191: ok 13487
191: ok 13488
191: ok 13489
191: ok 13490
191: ok 13491
191: ok 13492
191: ok 13493
191: ok 13494
191: ok 13495
191: ok 13496
191: ok 13497
191: ok 13498
191: ok 13499
191: ok 13500
191: ok 13501
191: ok 13502
191: ok 13503
191: ok 13504
191: ok 13505
191: ok 13506
191: ok 13507
191: ok 13508
191: ok 13509
191: ok 13510
191: ok 13511
191: ok 13512
191: ok 13513
191: ok 13514
191: ok 13515
191: ok 13516
191: ok 13517
191: ok 13518
191: ok 13519
191: ok 13520
191: ok 13521
191: ok 13522
191: ok 13523
191: ok 13524
191: ok 13525
191: ok 13526
191: ok 13527
191: ok 13528
191: ok 13529
191: ok 13530
191: ok 13531
191: ok 13532
191: ok 13533
191: ok 13534
191: ok 13535
191: ok 13536
191: ok 13537
191: ok 13538
191: ok 13539
191: ok 13540
191: ok 13541
191: ok 13542
191: ok 13543
191: ok 13544
191: ok 13545
191: ok 13546
191: ok 13547
191: ok 13548
191: ok 13549
191: ok 13550
191: ok 13551
191: ok 13552
191: ok 13553
191: ok 13554
191: ok 13555
191: ok 13556
191: ok 13557
191: ok 13558
191: ok 13559
191: ok 13560
191: ok 13561
191: ok 13562
191: ok 13563
191: ok 13564
191: ok 13565
191: ok 13566
191: ok 13567
191: ok 13568
191: ok 13569
191: ok 13570
191: ok 13571
191: ok 13572
191: ok 13573
191: ok 13574
191: ok 13575
191: ok 13576
191: ok 13577
191: ok 13578
191: ok 13579
191: ok 13580
191: ok 13581
191: ok 13582
191: ok 13583
191: ok 13584
191: ok 13585
191: ok 13586
191: ok 13587
191: ok 13588
191: ok 13589
191: ok 13590
191: ok 13591
191: ok 13592
191: ok 13593
191: ok 13594
191: ok 13595
191: ok 13596
191: ok 13597
191: ok 13598
191: ok 13599
191: ok 13600
191: ok 13601
191: ok 13602
191: ok 13603
191: ok 13604
191: ok 13605
191: ok 13606
191: ok 13607
191: ok 13608
191: ok 13609
191: ok 13610
191: ok 13611
191: ok 13612
191: ok 13613
191: ok 13614
191: ok 13615
191: ok 13616
191: ok 13617
191: ok 13618
191: ok 13619
191: ok 13620
191: ok 13621
191: ok 13622
191: ok 13623
191: ok 13624
191: ok 13625
191: ok 13626
191: ok 13627
191: ok 13628
191: ok 13629
191: ok 13630
191: ok 13631
191: ok 13632
191: ok 13633
191: ok 13634
191: ok 13635
191: ok 13636
191: ok 13637
191: ok 13638
191: ok 13639
191: ok 13640
191: ok 13641
191: ok 13642
191: ok 13643
191: ok 13644
191: ok 13645
191: ok 13646
191: ok 13647
191: ok 13648
191: ok 13649
191: ok 13650
191: ok 13651
191: ok 13652
191: ok 13653
191: ok 13654
191: ok 13655
191: ok 13656
191: ok 13657
191: ok 13658
191: ok 13659
191: ok 13660
191: ok 13661
191: ok 13662
191: ok 13663
191: ok 13664
191: ok 13665
191: ok 13666
191: ok 13667
191: ok 13668
191: ok 13669
191: ok 13670
191: ok 13671
191: ok 13672
191: ok 13673
191: ok 13674
191: ok 13675
191: ok 13676
191: ok 13677
191: ok 13678
191: ok 13679
191: ok 13680
191: ok 13681
191: ok 13682
191: ok 13683
191: ok 13684
191: ok 13685
191: ok 13686
191: ok 13687
191: ok 13688
191: ok 13689
191: ok 13690
191: ok 13691
191: ok 13692
191: ok 13693
191: ok 13694
191: ok 13695
191: ok 13696
191: ok 13697
191: ok 13698
191: ok 13699
191: ok 13700
191: ok 13701
191: ok 13702
191: ok 13703
191: ok 13704
191: ok 13705
191: ok 13706
191: ok 13707
191: ok 13708
191: ok 13709
191: ok 13710
191: ok 13711
191: ok 13712
191: ok 13713
191: ok 13714
191: ok 13715
191: ok 13716
191: ok 13717
191: ok 13718
191: ok 13719
191: ok 13720
191: ok 13721
191: ok 13722
191: ok 13723
191: ok 13724
191: ok 13725
191: ok 13726
191: ok 13727
191: ok 13728
191: ok 13729
191: ok 13730
191: ok 13731
191: ok 13732
191: ok 13733
191: ok 13734
191: ok 13735
191: ok 13736
191: ok 13737
191: ok 13738
191: ok 13739
191: ok 13740
191: ok 13741
191: ok 13742
191: ok 13743
191: ok 13744
191: ok 13745
191: ok 13746
191: ok 13747
191: ok 13748
191: ok 13749
191: ok 13750
191: ok 13751
191: ok 13752
191: ok 13753
191: ok 13754
191: ok 13755
191: ok 13756
191: ok 13757
191: ok 13758
191: ok 13759
191: ok 13760
191: ok 13761
191: ok 13762
191: ok 13763
191: ok 13764
191: ok 13765
191: ok 13766
191: ok 13767
191: ok 13768
191: ok 13769
191: ok 13770
191: ok 13771
191: ok 13772
191: ok 13773
191: ok 13774
191: ok 13775
191: ok 13776
191: ok 13777
191: ok 13778
191: ok 13779
191: ok 13780
191: ok 13781
191: ok 13782
191: ok 13783
191: ok 13784
191: ok 13785
191: ok 13786
191: ok 13787
191: ok 13788
191: ok 13789
191: ok 13790
191: ok 13791
191: ok 13792
191: ok 13793
191: ok 13794
191: ok 13795
191: ok 13796
191: ok 13797
191: ok 13798
191: ok 13799
191: ok 13800
191: ok 13801
191: ok 13802
191: ok 13803
191: ok 13804
191: ok 13805
191: ok 13806
191: ok 13807
191: ok 13808
191: ok 13809
191: ok 13810
191: ok 13811
191: ok 13812
191: ok 13813
191: ok 13814
191: ok 13815
191: ok 13816
191: ok 13817
191: ok 13818
191: ok 13819
191: ok 13820
191: ok 13821
191: ok 13822
191: ok 13823
191: ok 13824
191: ok 13825
191: ok 13826
191: ok 13827
191: ok 13828
191: ok 13829
191: ok 13830
191: ok 13831
191: ok 13832
191: ok 13833
191: ok 13834
191: ok 13835
191: ok 13836
191: ok 13837
191: ok 13838
191: ok 13839
191: ok 13840
191: ok 13841
191: ok 13842
191: ok 13843
191: ok 13844
191: ok 13845
191: ok 13846
191: ok 13847
191: ok 13848
191: ok 13849
191: ok 13850
191: ok 13851
191: ok 13852
191: ok 13853
191: ok 13854
191: ok 13855
191: ok 13856
191: ok 13857
191: ok 13858
191: ok 13859
191: ok 13860
191: ok 13861
191: ok 13862
191: ok 13863
191: ok 13864
191: ok 13865
191: ok 13866
191: ok 13867
191: ok 13868
191: ok 13869
191: ok 13870
191: ok 13871
191: ok 13872
191: ok 13873
191: ok 13874
191: ok 13875
191: ok 13876
191: ok 13877
191: ok 13878
191: ok 13879
191: ok 13880
191: ok 13881
191: ok 13882
191: ok 13883
191: ok 13884
191: ok 13885
191: ok 13886
191: ok 13887
191: ok 13888
191: ok 13889
191: ok 13890
191: ok 13891
191: ok 13892
191: ok 13893
191: ok 13894
191: ok 13895
191: ok 13896
191: ok 13897
191: ok 13898
191: ok 13899
191: ok 13900
191: ok 13901
191: ok 13902
191: ok 13903
191: ok 13904
191: ok 13905
191: ok 13906
191: ok 13907
191: ok 13908
191: ok 13909
191: ok 13910
191: ok 13911
191: ok 13912
191: ok 13913
191: ok 13914
191: ok 13915
191: ok 13916
191: ok 13917
191: ok 13918
191: ok 13919
191: ok 13920
191: ok 13921
191: ok 13922
191: ok 13923
191: ok 13924
191: ok 13925
191: ok 13926
191: ok 13927
191: ok 13928
191: ok 13929
191: ok 13930
191: ok 13931
191: ok 13932
191: ok 13933
191: ok 13934
191: ok 13935
191: ok 13936
191: ok 13937
191: ok 13938
191: ok 13939
191: ok 13940
191: ok 13941
191: ok 13942
191: ok 13943
191: ok 13944
191: ok 13945
191: ok 13946
191: ok 13947
191: ok 13948
191: ok 13949
191: ok 13950
191: ok 13951
191: ok 13952
191: ok 13953
191: ok 13954
191: ok 13955
191: ok 13956
191: ok 13957
191: ok 13958
191: ok 13959
191: ok 13960
191: ok 13961
191: ok 13962
191: ok 13963
191: ok 13964
191: ok 13965
191: ok 13966
191: ok 13967
191: ok 13968
191: ok 13969
191: ok 13970
191: ok 13971
191: ok 13972
191: ok 13973
191: ok 13974
191: ok 13975
191: ok 13976
191: ok 13977
191: ok 13978
191: ok 13979
191: ok 13980
191: ok 13981
191: ok 13982
191: ok 13983
191: ok 13984
191: ok 13985
191: ok 13986
191: ok 13987
191: ok 13988
191: ok 13989
191: ok 13990
191: ok 13991
191: ok 13992
191: ok 13993
191: ok 13994
191: ok 13995
191: ok 13996
191: ok 13997
191: ok 13998
191: ok 13999
191: ok 14000
191: ok 14001
191: ok 14002
191: ok 14003
191: ok 14004
191: ok 14005
191: ok 14006
191: ok 14007
191: ok 14008
191: ok 14009
191: ok 14010
191: ok 14011
191: ok 14012
191: ok 14013
191: ok 14014
191: ok 14015
191: ok 14016
191: ok 14017
191: ok 14018
191: ok 14019
191: ok 14020
191: ok 14021
191: ok 14022
191: ok 14023
191: ok 14024
191: ok 14025
191: ok 14026
191: ok 14027
191: ok 14028
191: ok 14029
191: ok 14030
191: ok 14031
191: ok 14032
191: ok 14033
191: ok 14034
191: ok 14035
191: ok 14036
191: ok 14037
191: ok 14038
191: ok 14039
191: ok 14040
191: ok 14041
191: ok 14042
191: ok 14043
191: ok 14044
191: ok 14045
191: ok 14046
191: ok 14047
191: ok 14048
191: ok 14049
191: ok 14050
191: ok 14051
191: ok 14052
191: ok 14053
191: ok 14054
191: ok 14055
191: ok 14056
191: ok 14057
191: ok 14058
191: ok 14059
191: ok 14060
191: ok 14061
191: ok 14062
191: ok 14063
191: ok 14064
191: ok 14065
191: ok 14066
191: ok 14067
191: ok 14068
191: ok 14069
191: ok 14070
191: ok 14071
191: ok 14072
191: ok 14073
191: ok 14074
191: ok 14075
191: ok 14076
191: ok 14077
191: ok 14078
191: ok 14079
191: ok 14080
191: ok 14081
191: ok 14082
191: ok 14083
191: ok 14084
191: ok 14085
191: ok 14086
191: ok 14087
191: ok 14088
191: ok 14089
191: ok 14090
191: ok 14091
191: ok 14092
191: ok 14093
191: ok 14094
191: ok 14095
191: ok 14096
191: ok 14097
191: ok 14098
191: ok 14099
191: ok 14100
191: ok 14101
191: ok 14102
191: ok 14103
191: ok 14104
191: ok 14105
191: ok 14106
191: ok 14107
191: ok 14108
191: ok 14109
191: ok 14110
191: ok 14111
191: ok 14112
191: ok 14113
191: ok 14114
191: ok 14115
191: ok 14116
191: ok 14117
191: ok 14118
191: ok 14119
191: ok 14120
191: ok 14121
191: ok 14122
191: ok 14123
191: ok 14124
191: ok 14125
191: ok 14126
191: ok 14127
191: ok 14128
191: ok 14129
191: ok 14130
191: ok 14131
191: ok 14132
191: ok 14133
191: ok 14134
191: ok 14135
191: ok 14136
191: ok 14137
191: ok 14138
191: ok 14139
191: ok 14140
191: ok 14141
191: ok 14142
191: ok 14143
191: ok 14144
191: ok 14145
191: ok 14146
191: ok 14147
191: ok 14148
191: ok 14149
191: ok 14150
191: ok 14151
191: ok 14152
191: ok 14153
191: ok 14154
191: ok 14155
191: ok 14156
191: ok 14157
191: ok 14158
191: ok 14159
191: ok 14160
191: ok 14161
191: ok 14162
191: ok 14163
191: ok 14164
191: ok 14165
191: ok 14166
191: ok 14167
191: ok 14168
191: ok 14169
191: ok 14170
191: ok 14171
191: ok 14172
191: ok 14173
191: ok 14174
191: ok 14175
191: ok 14176
191: ok 14177
191: ok 14178
191: ok 14179
191: ok 14180
191: ok 14181
191: ok 14182
191: ok 14183
191: ok 14184
191: ok 14185
191: ok 14186
191: ok 14187
191: ok 14188
191: ok 14189
191: ok 14190
191: ok 14191
191: ok 14192
191: ok 14193
191: ok 14194
191: ok 14195
191: ok 14196
191: ok 14197
191: ok 14198
191: ok 14199
191: ok 14200
191: ok 14201
191: ok 14202
191: ok 14203
191: ok 14204
191: ok 14205
191: ok 14206
191: ok 14207
191: ok 14208
191: ok 14209
191: ok 14210
191: ok 14211
191: ok 14212
191: ok 14213
191: ok 14214
191: ok 14215
191: ok 14216
191: ok 14217
191: ok 14218
191: ok 14219
191: ok 14220
191: ok 14221
191: ok 14222
191: ok 14223
191: ok 14224
191: ok 14225
191: ok 14226
191: ok 14227
191: ok 14228
191: ok 14229
191: ok 14230
191: ok 14231
191: ok 14232
191: ok 14233
191: ok 14234
191: ok 14235
191: ok 14236
191: ok 14237
191: ok 14238
191: ok 14239
191: ok 14240
191: ok 14241
191: ok 14242
191: ok 14243
191: ok 14244
191: ok 14245
191: ok 14246
191: ok 14247
191: ok 14248
191: ok 14249
191: ok 14250
191: ok 14251
191: ok 14252
191: ok 14253
191: ok 14254
191: ok 14255
191: ok 14256
191: ok 14257
191: ok 14258
191: ok 14259
191: ok 14260
191: ok 14261
191: ok 14262
191: ok 14263
191: ok 14264
191: ok 14265
191: ok 14266
191: ok 14267
191: ok 14268
191: ok 14269
191: ok 14270
191: ok 14271
191: ok 14272
191: ok 14273
191: ok 14274
191: ok 14275
191: ok 14276
191: ok 14277
191: ok 14278
191: ok 14279
191: ok 14280
191: ok 14281
191: ok 14282
191: ok 14283
191: ok 14284
191: ok 14285
191: ok 14286
191: ok 14287
191: ok 14288
191: ok 14289
191: ok 14290
191: ok 14291
191: ok 14292
191: ok 14293
191: ok 14294
191: ok 14295
191: ok 14296
191: ok 14297
191: ok 14298
191: ok 14299
191: ok 14300
191: ok 14301
191: ok 14302
191: ok 14303
191: ok 14304
191: ok 14305
191: ok 14306
191: ok 14307
191: ok 14308
191: ok 14309
191: ok 14310
191: ok 14311
191: ok 14312
191: ok 14313
191: ok 14314
191: ok 14315
191: ok 14316
191: ok 14317
191: ok 14318
191: ok 14319
191: ok 14320
191: ok 14321
191: ok 14322
191: ok 14323
191: ok 14324
191: ok 14325
191: ok 14326
191: ok 14327
191: ok 14328
191: ok 14329
191: ok 14330
191: ok 14331
191: ok 14332
191: ok 14333
191: ok 14334
191: ok 14335
191: ok 14336
191: ok 14337
191: ok 14338
191: ok 14339
191: ok 14340
191: ok 14341
191: ok 14342
191: ok 14343
191: ok 14344
191: ok 14345
191: ok 14346
191: ok 14347
191: ok 14348
191: ok 14349
191: ok 14350
191: ok 14351
191: ok 14352
191: ok 14353
191: ok 14354
191: ok 14355
191: ok 14356
191: ok 14357
191: ok 14358
191: ok 14359
191: ok 14360
191: ok 14361
191: ok 14362
191: ok 14363
191: ok 14364
191: ok 14365
191: ok 14366
191: ok 14367
191: ok 14368
191: ok 14369
191: ok 14370
191: ok 14371
191: ok 14372
191: ok 14373
191: ok 14374
191: ok 14375
191: ok 14376
191: ok 14377
191: ok 14378
191: ok 14379
191: ok 14380
191: ok 14381
191: ok 14382
191: ok 14383
191: ok 14384
191: ok 14385
191: ok 14386
191: ok 14387
191: ok 14388
191: ok 14389
191: ok 14390
191: ok 14391
191: ok 14392
191: ok 14393
191: ok 14394
191: ok 14395
191: ok 14396
191: ok 14397
191: ok 14398
191: ok 14399
191: ok 14400
191: ok 14401
191: ok 14402
191: ok 14403
191: ok 14404
191: ok 14405
191: ok 14406
191: ok 14407
191: ok 14408
191: ok 14409
191: ok 14410
191: ok 14411
191: ok 14412
191: ok 14413
191: ok 14414
191: ok 14415
191: ok 14416
191: ok 14417
191: ok 14418
191: ok 14419
191: ok 14420
191: ok 14421
191: ok 14422
191: ok 14423
191: ok 14424
191: ok 14425
191: ok 14426
191: ok 14427
191: ok 14428
191: ok 14429
191: ok 14430
191: ok 14431
191: ok 14432
191: ok 14433
191: ok 14434
191: ok 14435
191: ok 14436
191: ok 14437
191: ok 14438
191: ok 14439
191: ok 14440
191: ok 14441
191: ok 14442
191: ok 14443
191: ok 14444
191: ok 14445
191: ok 14446
191: ok 14447
191: ok 14448
191: ok 14449
191: ok 14450
191: ok 14451
191: ok 14452
191: ok 14453
191: ok 14454
191: ok 14455
191: ok 14456
191: ok 14457
191: ok 14458
191: ok 14459
191: ok 14460
191: ok 14461
191: ok 14462
191: ok 14463
191: ok 14464
191: ok 14465
191: ok 14466
191: ok 14467
191: ok 14468
191: ok 14469
191: ok 14470
191: ok 14471
191: ok 14472
191: ok 14473
191: ok 14474
191: ok 14475
191: ok 14476
191: ok 14477
191: ok 14478
191: ok 14479
191: ok 14480
191: ok 14481
191: ok 14482
191: ok 14483
191: ok 14484
191: ok 14485
191: ok 14486
191: ok 14487
191: ok 14488
191: ok 14489
191: ok 14490
191: ok 14491
191: ok 14492
191: ok 14493
191: ok 14494
191: ok 14495
191: ok 14496
191: ok 14497
191: ok 14498
191: ok 14499
191: ok 14500
191: ok 14501
191: ok 14502
191: ok 14503
191: ok 14504
191: ok 14505
191: ok 14506
191: ok 14507
191: ok 14508
191: ok 14509
191: ok 14510
191: ok 14511
191: ok 14512
191: ok 14513
191: ok 14514
191: ok 14515
191: ok 14516
191: ok 14517
191: ok 14518
191: ok 14519
191: ok 14520
191: ok 14521
191: ok 14522
191: ok 14523
191: ok 14524
191: ok 14525
191: ok 14526
191: ok 14527
191: ok 14528
191: ok 14529
191: ok 14530
191: ok 14531
191: ok 14532
191: ok 14533
191: ok 14534
191: ok 14535
191: ok 14536
191: ok 14537
191: ok 14538
191: ok 14539
191: ok 14540
191: ok 14541
191: ok 14542
191: ok 14543
191: ok 14544
191: ok 14545
191: ok 14546
191: ok 14547
191: ok 14548
191: ok 14549
191: ok 14550
191: ok 14551
191: ok 14552
191: ok 14553
191: ok 14554
191: ok 14555
191: ok 14556
191: ok 14557
191: ok 14558
191: ok 14559
191: ok 14560
191: ok 14561
191: ok 14562
191: ok 14563
191: ok 14564
191: ok 14565
191: ok 14566
191: ok 14567
191: ok 14568
191: ok 14569
191: ok 14570
191: ok 14571
191: ok 14572
191: ok 14573
191: ok 14574
191: ok 14575
191: ok 14576
191: ok 14577
191: ok 14578
191: ok 14579
191: ok 14580
191: ok 14581
191: ok 14582
191: ok 14583
191: ok 14584
191: ok 14585
191: ok 14586
191: ok 14587
191: ok 14588
191: ok 14589
191: ok 14590
191: ok 14591
191: ok 14592
191: ok 14593
191: ok 14594
191: ok 14595
191: ok 14596
191: ok 14597
191: ok 14598
191: ok 14599
191: ok 14600
191: ok 14601
191: ok 14602
191: ok 14603
191: ok 14604
191: ok 14605
191: ok 14606
191: ok 14607
191: ok 14608
191: ok 14609
191: ok 14610
191: ok 14611
191: ok 14612
191: ok 14613
191: ok 14614
191: ok 14615
191: ok 14616
191: ok 14617
191: ok 14618
191: ok 14619
191: ok 14620
191: ok 14621
191: ok 14622
191: ok 14623
191: ok 14624
191: ok 14625
191: ok 14626
191: ok 14627
191: ok 14628
191: ok 14629
191: ok 14630
191: ok 14631
191: ok 14632
191: ok 14633
191: ok 14634
191: ok 14635
191: ok 14636
191: ok 14637
191: ok 14638
191: ok 14639
191: ok 14640
191: ok 14641
191: ok 14642
191: ok 14643
191: ok 14644
191: ok 14645
191: ok 14646
191: ok 14647
191: ok 14648
191: ok 14649
191: ok 14650
191: ok 14651
191: ok 14652
191: ok 14653
191: ok 14654
191: ok 14655
191: ok 14656
191: ok 14657
191: ok 14658
191: ok 14659
191: ok 14660
191: ok 14661
191: ok 14662
191: ok 14663
191: ok 14664
191: ok 14665
191: ok 14666
191: ok 14667
191: ok 14668
191: ok 14669
191: ok 14670
191: ok 14671
191: ok 14672
191: ok 14673
191: ok 14674
191: ok 14675
191: ok 14676
191: ok 14677
191: ok 14678
191: ok 14679
191: ok 14680
191: ok 14681
191: ok 14682
191: ok 14683
191: ok 14684
191: ok 14685
191: ok 14686
191: ok 14687
191: ok 14688
191: ok 14689
191: ok 14690
191: ok 14691
191: ok 14692
191: ok 14693
191: ok 14694
191: ok 14695
191: ok 14696
191: ok 14697
191: ok 14698
191: ok 14699
191: ok 14700
191: ok 14701
191: ok 14702
191: ok 14703
191: ok 14704
191: ok 14705
191: ok 14706
191: ok 14707
191: ok 14708
191: ok 14709
191: ok 14710
191: ok 14711
191: ok 14712
191: ok 14713
191: ok 14714
191: ok 14715
191: ok 14716
191: ok 14717
191: ok 14718
191: ok 14719
191: ok 14720
191: ok 14721
191: ok 14722
191: ok 14723
191: ok 14724
191: ok 14725
191: ok 14726
191: ok 14727
191: ok 14728
191: ok 14729
191: ok 14730
191: ok 14731
191: ok 14732
191: ok 14733
191: ok 14734
191: ok 14735
191: ok 14736
191: ok 14737
191: ok 14738
191: ok 14739
191: ok 14740
191: ok 14741
191: ok 14742
191: ok 14743
191: ok 14744
191: ok 14745
191: ok 14746
191: ok 14747
191: ok 14748
191: ok 14749
191: ok 14750
191: ok 14751
191: ok 14752
191: ok 14753
191: ok 14754
191: ok 14755
191: ok 14756
191: ok 14757
191: ok 14758
191: ok 14759
191: ok 14760
191: ok 14761
191: ok 14762
191: ok 14763
191: ok 14764
191: ok 14765
191: ok 14766
191: ok 14767
191: ok 14768
191: ok 14769
191: ok 14770
191: ok 14771
191: ok 14772
191: ok 14773
191: ok 14774
191: ok 14775
191: ok 14776
191: ok 14777
191: ok 14778
191: ok 14779
191: ok 14780
191: ok 14781
191: ok 14782
191: ok 14783
191: ok 14784
191: ok 14785
191: ok 14786
191: ok 14787
191: ok 14788
191: ok 14789
191: ok 14790
191: ok 14791
191: ok 14792
191: ok 14793
191: ok 14794
191: ok 14795
191: ok 14796
191: ok 14797
191: ok 14798
191: ok 14799
191: ok 14800
191: ok 14801
191: ok 14802
191: ok 14803
191: ok 14804
191: ok 14805
191: ok 14806
191: ok 14807
191: ok 14808
191: ok 14809
191: ok 14810
191: ok 14811
191: ok 14812
191: ok 14813
191: ok 14814
191: ok 14815
191: ok 14816
191: ok 14817
191: ok 14818
191: ok 14819
191: ok 14820
191: ok 14821
191: ok 14822
191: ok 14823
191: ok 14824
191: ok 14825
191: ok 14826
191: ok 14827
191: ok 14828
191: ok 14829
191: ok 14830
191: ok 14831
191: ok 14832
191: ok 14833
191: ok 14834
191: ok 14835
191: ok 14836
191: ok 14837
191: ok 14838
191: ok 14839
191: ok 14840
191: ok 14841
191: ok 14842
191: ok 14843
191: ok 14844
191: ok 14845
191: ok 14846
191: ok 14847
191: ok 14848
191: ok 14849
191: ok 14850
191: ok 14851
191: ok 14852
191: ok 14853
191: ok 14854
191: ok 14855
191: ok 14856
191: ok 14857
191: ok 14858
191: ok 14859
191: ok 14860
191: ok 14861
191: ok 14862
191: ok 14863
191: ok 14864
191: ok 14865
191: ok 14866
191: ok 14867
191: ok 14868
191: ok 14869
191: ok 14870
191: ok 14871
191: ok 14872
191: ok 14873
191: ok 14874
191: ok 14875
191: ok 14876
191: ok 14877
191: ok 14878
191: ok 14879
191: ok 14880
191: ok 14881
191: ok 14882
191: ok 14883
191: ok 14884
191: ok 14885
191: ok 14886
191: ok 14887
191: ok 14888
191: ok 14889
191: ok 14890
191: ok 14891
191: ok 14892
191: ok 14893
191: ok 14894
191: ok 14895
191: ok 14896
191: ok 14897
191: ok 14898
191: ok 14899
191: ok 14900
191: ok 14901
191: ok 14902
191: ok 14903
191: ok 14904
191: ok 14905
191: ok 14906
191: ok 14907
191: ok 14908
191: ok 14909
191: ok 14910
191: ok 14911
191: ok 14912
191: ok 14913
191: ok 14914
191: ok 14915
191: ok 14916
191: ok 14917
191: ok 14918
191: ok 14919
191: ok 14920
191: ok 14921
191: ok 14922
191: ok 14923
191: ok 14924
191: ok 14925
191: ok 14926
191: ok 14927
191: ok 14928
191: ok 14929
191: ok 14930
191: ok 14931
191: ok 14932
191: ok 14933
191: ok 14934
191: ok 14935
191: ok 14936
191: ok 14937
191: ok 14938
191: ok 14939
191: ok 14940
191: ok 14941
191: ok 14942
191: ok 14943
191: ok 14944
191: ok 14945
191: ok 14946
191: ok 14947
191: ok 14948
191: ok 14949
191: ok 14950
191: ok 14951
191: ok 14952
191: ok 14953
191: ok 14954
191: ok 14955
191: ok 14956
191: ok 14957
191: ok 14958
191: ok 14959
191: ok 14960
191: ok 14961
191: ok 14962
191: ok 14963
191: ok 14964
191: ok 14965
191: ok 14966
191: ok 14967
191: ok 14968
191: ok 14969
191: ok 14970
191: ok 14971
191: ok 14972
191: ok 14973
191: ok 14974
191: ok 14975
191: ok 14976
191: ok 14977
191: ok 14978
191: ok 14979
191: ok 14980
191: ok 14981
191: ok 14982
191: ok 14983
191: ok 14984
191: ok 14985
191: ok 14986
191: ok 14987
191: ok 14988
191: ok 14989
191: ok 14990
191: ok 14991
191: ok 14992
191: ok 14993
191: ok 14994
191: ok 14995
191: ok 14996
191: ok 14997
191: ok 14998
191: ok 14999
191: ok 15000
191: ok 15001
191: ok 15002
191: ok 15003
191: ok 15004
191: ok 15005
191: ok 15006
191: ok 15007
191: ok 15008
191: ok 15009
191: ok 15010
191: ok 15011
191: ok 15012
191: ok 15013
191: ok 15014
191: ok 15015
191: ok 15016
191: ok 15017
191: ok 15018
191: ok 15019
191: ok 15020
191: ok 15021
191: ok 15022
191: ok 15023
191: ok 15024
191: ok 15025
191: ok 15026
191: ok 15027
191: ok 15028
191: ok 15029
191: ok 15030
191: ok 15031
191: ok 15032
191: ok 15033
191: ok 15034
191: ok 15035
191: ok 15036
191: ok 15037
191: ok 15038
191: ok 15039
191: ok 15040
191: ok 15041
191: ok 15042
191: ok 15043
191: ok 15044
191: ok 15045
191: ok 15046
191: ok 15047
191: ok 15048
191: ok 15049
191: ok 15050
191: ok 15051
191: ok 15052
191: ok 15053
191: ok 15054
191: ok 15055
191: ok 15056
191: ok 15057
191: ok 15058
191: ok 15059
191: ok 15060
191: ok 15061
191: ok 15062
191: ok 15063
191: ok 15064
191: ok 15065
191: ok 15066
191: ok 15067
191: ok 15068
191: ok 15069
191: ok 15070
191: ok 15071
191: ok 15072
191: ok 15073
191: ok 15074
191: ok 15075
191: ok 15076
191: ok 15077
191: ok 15078
191: ok 15079
191: ok 15080
191: ok 15081
191: ok 15082
191: ok 15083
191: ok 15084
191: ok 15085
191: ok 15086
191: ok 15087
191: ok 15088
191: ok 15089
191: ok 15090
191: ok 15091
191: ok 15092
191: ok 15093
191: ok 15094
191: ok 15095
191: ok 15096
191: ok 15097
191: ok 15098
191: ok 15099
191: ok 15100
191: ok 15101
191: ok 15102
191: ok 15103
191: ok 15104
191: ok 15105
191: ok 15106
191: ok 15107
191: ok 15108
191: ok 15109
191: ok 15110
191: ok 15111
191: ok 15112
191: ok 15113
191: ok 15114
191: ok 15115
191: ok 15116
191: ok 15117
191: ok 15118
191: ok 15119
191: ok 15120
191: ok 15121
191: ok 15122
191: ok 15123
191: ok 15124
191: ok 15125
191: ok 15126
191: ok 15127
191: ok 15128
191: ok 15129
191: ok 15130
191: ok 15131
191: ok 15132
191: ok 15133
191: ok 15134
191: ok 15135
191: ok 15136
191: ok 15137
191: ok 15138
191: ok 15139
191: ok 15140
191: ok 15141
191: ok 15142
191: ok 15143
191: ok 15144
191: ok 15145
191: ok 15146
191: ok 15147
191: ok 15148
191: ok 15149
191: ok 15150
191: ok 15151
191: ok 15152
191: ok 15153
191: ok 15154
191: ok 15155
191: ok 15156
191: ok 15157
191: ok 15158
191: ok 15159
191: ok 15160
191: ok 15161
191: ok 15162
191: ok 15163
191: ok 15164
191: ok 15165
191: ok 15166
191: ok 15167
191: ok 15168
191: ok 15169
191: ok 15170
191: ok 15171
191: ok 15172
191: ok 15173
191: ok 15174
191: ok 15175
191: ok 15176
191: ok 15177
191: ok 15178
191: ok 15179
191: ok 15180
191: ok 15181
191: ok 15182
191: ok 15183
191: ok 15184
191: ok 15185
191: ok 15186
191: ok 15187
191: ok 15188
191: ok 15189
191: ok 15190
191: ok 15191
191: ok 15192
191: ok 15193
191: ok 15194
191: ok 15195
191: ok 15196
191: ok 15197
191: ok 15198
191: ok 15199
191: ok 15200
191: ok 15201
191: ok 15202
191: ok 15203
191: ok 15204
191: ok 15205
191: ok 15206
191: ok 15207
191: ok 15208
191: ok 15209
191: ok 15210
191: ok 15211
191: ok 15212
191: ok 15213
191: ok 15214
191: ok 15215
191: ok 15216
191: ok 15217
191: ok 15218
191: ok 15219
191: ok 15220
191: ok 15221
191: ok 15222
191: ok 15223
191: ok 15224
191: ok 15225
191: ok 15226
191: ok 15227
191: ok 15228
191: ok 15229
191: ok 15230
191: ok 15231
191: ok 15232
191: ok 15233
191: ok 15234
191: ok 15235
191: ok 15236
191: ok 15237
191: ok 15238
191: ok 15239
191: ok 15240
191: ok 15241
191: ok 15242
191: ok 15243
191: ok 15244
191: ok 15245
191: ok 15246
191: ok 15247
191: ok 15248
191: ok 15249
191: ok 15250
191: ok 15251
191: ok 15252
191: ok 15253
191: ok 15254
191: ok 15255
191: ok 15256
191: ok 15257
191: ok 15258
191: ok 15259
191: ok 15260
191: ok 15261
191: ok 15262
191: ok 15263
191: ok 15264
191: ok 15265
191: ok 15266
191: ok 15267
191: ok 15268
191: ok 15269
191: ok 15270
191: ok 15271
191: ok 15272
191: ok 15273
191: ok 15274
191: ok 15275
191: ok 15276
191: ok 15277
191: ok 15278
191: ok 15279
191: ok 15280
191: ok 15281
191: ok 15282
191: ok 15283
191: ok 15284
191: ok 15285
191: ok 15286
191: ok 15287
191: ok 15288
191: ok 15289
191: ok 15290
191: ok 15291
191: ok 15292
191: ok 15293
191: ok 15294
191: ok 15295
191: ok 15296
191: ok 15297
191: ok 15298
191: ok 15299
191: ok 15300
191: ok 15301
191: ok 15302
191: ok 15303
191: ok 15304
191: ok 15305
191: ok 15306
191: ok 15307
191: ok 15308
191: ok 15309
191: ok 15310
191: ok 15311
191: ok 15312
191: ok 15313
191: ok 15314
191: ok 15315
191: ok 15316
191: ok 15317
191: ok 15318
191: ok 15319
191: ok 15320
191: ok 15321
191: ok 15322
191: ok 15323
191: ok 15324
191: ok 15325
191: ok 15326
191: ok 15327
191: ok 15328
191: ok 15329
191: ok 15330
191: ok 15331
191: ok 15332
191: ok 15333
191: ok 15334
191: ok 15335
191: ok 15336
191: ok 15337
191: ok 15338
191: ok 15339
191: ok 15340
191: ok 15341
191: ok 15342
191: ok 15343
191: ok 15344
191: ok 15345
191: ok 15346
191: ok 15347
191: ok 15348
191: ok 15349
191: ok 15350
191: ok 15351
191: ok 15352
191: ok 15353
191: ok 15354
191: ok 15355
191: ok 15356
191: ok 15357
191: ok 15358
191: ok 15359
191: ok 15360
191: ok 15361
191: ok 15362
191: ok 15363
191: ok 15364
191: ok 15365
191: ok 15366
191: ok 15367
191: ok 15368
191: ok 15369
191: ok 15370
191: ok 15371
191: ok 15372
191: ok 15373
191: ok 15374
191: ok 15375
191: ok 15376
191: ok 15377
191: ok 15378
191: ok 15379
191: ok 15380
191: ok 15381
191: ok 15382
191: ok 15383
191: ok 15384
191: ok 15385
191: ok 15386
191: ok 15387
191: ok 15388
191: ok 15389
191: ok 15390
191: ok 15391
191: ok 15392
191: ok 15393
191: ok 15394
191: ok 15395
191: ok 15396
191: ok 15397
191: ok 15398
191: ok 15399
191: ok 15400
191: ok 15401
191: ok 15402
191: ok 15403
191: ok 15404
191: ok 15405
191: ok 15406
191: ok 15407
191: ok 15408
191: ok 15409
191: ok 15410
191: ok 15411
191: ok 15412
191: ok 15413
191: ok 15414
191: ok 15415
191: ok 15416
191: ok 15417
191: ok 15418
191: ok 15419
191: ok 15420
191: ok 15421
191: ok 15422
191: ok 15423
191: ok 15424
191: ok 15425
191: ok 15426
191: ok 15427
191: ok 15428
191: ok 15429
191: ok 15430
191: ok 15431
191: ok 15432
191: ok 15433
191: ok 15434
191: ok 15435
191: ok 15436
191: ok 15437
191: ok 15438
191: ok 15439
191: ok 15440
191: ok 15441
191: ok 15442
191: ok 15443
191: ok 15444
191: ok 15445
191: ok 15446
191: ok 15447
191: ok 15448
191: ok 15449
191: ok 15450
191: ok 15451
191: ok 15452
191: ok 15453
191: ok 15454
191: ok 15455
191: ok 15456
191: ok 15457
191: ok 15458
191: ok 15459
191: ok 15460
191: ok 15461
191: ok 15462
191: ok 15463
191: ok 15464
191: ok 15465
191: ok 15466
191: ok 15467
191: ok 15468
191: ok 15469
191: ok 15470
191: ok 15471
191: ok 15472
191: ok 15473
191: ok 15474
191: ok 15475
191: ok 15476
191: ok 15477
191: ok 15478
191: ok 15479
191: ok 15480
191: ok 15481
191: ok 15482
191: ok 15483
191: ok 15484
191: ok 15485
191: ok 15486
191: ok 15487
191: ok 15488
191: ok 15489
191: ok 15490
191: ok 15491
191: ok 15492
191: ok 15493
191: ok 15494
191: ok 15495
191: ok 15496
191: ok 15497
191: ok 15498
191: ok 15499
191: ok 15500
191: ok 15501
191: ok 15502
191: ok 15503
191: ok 15504
191: ok 15505
191: ok 15506
191: ok 15507
191: ok 15508
191: ok 15509
191: ok 15510
191: ok 15511
191: ok 15512
191: ok 15513
191: ok 15514
191: ok 15515
191: ok 15516
191: ok 15517
191: ok 15518
191: ok 15519
191: ok 15520
191: ok 15521
191: ok 15522
191: ok 15523
191: ok 15524
191: ok 15525
191: ok 15526
191: ok 15527
191: ok 15528
191: ok 15529
191: ok 15530
191: ok 15531
191: ok 15532
191: ok 15533
191: ok 15534
191: ok 15535
191: ok 15536
191: ok 15537
191: ok 15538
191: ok 15539
191: ok 15540
191: ok 15541
191: ok 15542
191: ok 15543
191: ok 15544
191: ok 15545
191: ok 15546
191: ok 15547
191: ok 15548
191: ok 15549
191: ok 15550
191: ok 15551
191: ok 15552
191: ok 15553
191: ok 15554
191: ok 15555
191: ok 15556
191: ok 15557
191: ok 15558
191: ok 15559
191: ok 15560
191: ok 15561
191: ok 15562
191: ok 15563
191: ok 15564
191: ok 15565
191: ok 15566
191: ok 15567
191: ok 15568
191: ok 15569
191: ok 15570
191: ok 15571
191: ok 15572
191: ok 15573
191: ok 15574
191: ok 15575
191: ok 15576
191: ok 15577
191: ok 15578
191: ok 15579
191: ok 15580
191: ok 15581
191: ok 15582
191: ok 15583
191: ok 15584
191: ok 15585
191: ok 15586
191: ok 15587
191: ok 15588
191: ok 15589
191: ok 15590
191: ok 15591
191: ok 15592
191: ok 15593
191: ok 15594
191: ok 15595
191: ok 15596
191: ok 15597
191: ok 15598
191: ok 15599
191: ok 15600
191: ok 15601
191: ok 15602
191: ok 15603
191: ok 15604
191: ok 15605
191: ok 15606
191: ok 15607
191: ok 15608
191: ok 15609
191: ok 15610
191: ok 15611
191: ok 15612
191: ok 15613
191: ok 15614
191: ok 15615
191: ok 15616
191: ok 15617
191: ok 15618
191: ok 15619
191: ok 15620
191: ok 15621
191: ok 15622
191: ok 15623
191: ok 15624
191: ok 15625
191: ok 15626
191: ok 15627
191: ok 15628
191: ok 15629
191: ok 15630
191: ok 15631
191: ok 15632
191: ok 15633
191: ok 15634
191: ok 15635
191: ok 15636
191: ok 15637
191: ok 15638
191: ok 15639
191: ok 15640
191: ok 15641
191: ok 15642
191: ok 15643
191: ok 15644
191: ok 15645
191: ok 15646
191: ok 15647
191: ok 15648
191: ok 15649
191: ok 15650
191: ok 15651
191: ok 15652
191: ok 15653
191: ok 15654
191: ok 15655
191: ok 15656
191: ok 15657
191: ok 15658
191: ok 15659
191: ok 15660
191: ok 15661
191: ok 15662
191: ok 15663
191: ok 15664
191: ok 15665
191: ok 15666
191: ok 15667
191: ok 15668
191: ok 15669
191: ok 15670
191: ok 15671
191: ok 15672
191: ok 15673
191: ok 15674
191: ok 15675
191: ok 15676
191: ok 15677
191: ok 15678
191: ok 15679
191: ok 15680
191: ok 15681
191: ok 15682
191: ok 15683
191: ok 15684
191: ok 15685
191: ok 15686
191: ok 15687
191: ok 15688
191: ok 15689
191: ok 15690
191: ok 15691
191: ok 15692
191: ok 15693
191: ok 15694
191: ok 15695
191: ok 15696
191: ok 15697
191: ok 15698
191: ok 15699
191: ok 15700
191: ok 15701
191: ok 15702
191: ok 15703
191: ok 15704
191: ok 15705
191: ok 15706
191: ok 15707
191: ok 15708
191: ok 15709
191: ok 15710
191: ok 15711
191: ok 15712
191: ok 15713
191: ok 15714
191: ok 15715
191: ok 15716
191: ok 15717
191: ok 15718
191: ok 15719
191: ok 15720
191: ok 15721
191: ok 15722
191: ok 15723
191: ok 15724
191: ok 15725
191: ok 15726
191: ok 15727
191: ok 15728
191: ok 15729
191: ok 15730
191: ok 15731
191: ok 15732
191: ok 15733
191: ok 15734
191: ok 15735
191: ok 15736
191: ok 15737
191: ok 15738
191: ok 15739
191: ok 15740
191: ok 15741
191: ok 15742
191: ok 15743
191: ok 15744
191: ok 15745
191: ok 15746
191: ok 15747
191: ok 15748
191: ok 15749
191: ok 15750
191: ok 15751
191: ok 15752
191: ok 15753
191: ok 15754
191: ok 15755
191: ok 15756
191: ok 15757
191: ok 15758
191: ok 15759
191: ok 15760
191: ok 15761
191: ok 15762
191: ok 15763
191: ok 15764
191: ok 15765
191: ok 15766
191: ok 15767
191: ok 15768
191: ok 15769
191: ok 15770
191: ok 15771
191: ok 15772
191: ok 15773
191: ok 15774
191: ok 15775
191: ok 15776
191: ok 15777
191: ok 15778
191: ok 15779
191: ok 15780
191: ok 15781
191: ok 15782
191: ok 15783
191: ok 15784
191: ok 15785
191: ok 15786
191: ok 15787
191: ok 15788
191: ok 15789
191: ok 15790
191: ok 15791
191: ok 15792
191: ok 15793
191: ok 15794
191: ok 15795
191: ok 15796
191: ok 15797
191: ok 15798
191: ok 15799
191: ok 15800
191: ok 15801
191: ok 15802
191: ok 15803
191: ok 15804
191: ok 15805
191: ok 15806
191: ok 15807
191: ok 15808
191: ok 15809
191: ok 15810
191: ok 15811
191: ok 15812
191: ok 15813
191: ok 15814
191: ok 15815
191: ok 15816
191: ok 15817
191: ok 15818
191: ok 15819
191: ok 15820
191: ok 15821
191: ok 15822
191: ok 15823
191: ok 15824
191: ok 15825
191: ok 15826
191: ok 15827
191: ok 15828
191: ok 15829
191: ok 15830
191: ok 15831
191: ok 15832
191: ok 15833
191: ok 15834
191: ok 15835
191: ok 15836
191: ok 15837
191: ok 15838
191: ok 15839
191: ok 15840
191: ok 15841
191: ok 15842
191: ok 15843
191: ok 15844
191: ok 15845
191: ok 15846
191: ok 15847
191: ok 15848
191: ok 15849
191: ok 15850
191: ok 15851
191: ok 15852
191: ok 15853
191: ok 15854
191: ok 15855
191: ok 15856
191: ok 15857
191: ok 15858
191: ok 15859
191: ok 15860
191: ok 15861
191: ok 15862
191: ok 15863
191: ok 15864
191: ok 15865
191: ok 15866
191: ok 15867
191: ok 15868
191: ok 15869
191: ok 15870
191: ok 15871
191: ok 15872
191: ok 15873
191: ok 15874
191: ok 15875
191: ok 15876
191: ok 15877
191: ok 15878
191: ok 15879
191: ok 15880
191: ok 15881
191: ok 15882
191: ok 15883
191: ok 15884
191: ok 15885
191: ok 15886
191: ok 15887
191: ok 15888
191: ok 15889
191: ok 15890
191: ok 15891
191: ok 15892
191: ok 15893
191: ok 15894
191: ok 15895
191: ok 15896
191: ok 15897
191: ok 15898
191: ok 15899
191: ok 15900
191: ok 15901
191: ok 15902
191: ok 15903
191: ok 15904
191: ok 15905
191: ok 15906
191: ok 15907
191: ok 15908
191: ok 15909
191: ok 15910
191: ok 15911
191: ok 15912
191: ok 15913
191: ok 15914
191: ok 15915
191: ok 15916
191: ok 15917
191: ok 15918
191: ok 15919
191: ok 15920
191: ok 15921
191: ok 15922
191: ok 15923
191: ok 15924
191: ok 15925
191: ok 15926
191: ok 15927
191: ok 15928
191: ok 15929
191: ok 15930
191: ok 15931
191: ok 15932
191: ok 15933
191: ok 15934
191: ok 15935
191: ok 15936
191: ok 15937
191: ok 15938
191: ok 15939
191: ok 15940
191: ok 15941
191: ok 15942
191: ok 15943
191: ok 15944
191: ok 15945
191: ok 15946
191: ok 15947
191: ok 15948
191: ok 15949
191: ok 15950
191: ok 15951
191: ok 15952
191: ok 15953
191: ok 15954
191: ok 15955
191: ok 15956
191: ok 15957
191: ok 15958
191: ok 15959
191: ok 15960
191: ok 15961
191: ok 15962
191: ok 15963
191: ok 15964
191: ok 15965
191: ok 15966
191: ok 15967
191: ok 15968
191: ok 15969
191: ok 15970
191: ok 15971
191: ok 15972
191: ok 15973
191: ok 15974
191: ok 15975
191: ok 15976
191: ok 15977
191: ok 15978
191: ok 15979
191: ok 15980
191: ok 15981
191: ok 15982
191: ok 15983
191: ok 15984
191: ok 15985
191: ok 15986
191: ok 15987
191: ok 15988
191: ok 15989
191: ok 15990
191: ok 15991
191: ok 15992
191: ok 15993
191: ok 15994
191: ok 15995
191: ok 15996
191: ok 15997
191: ok 15998
191: ok 15999
191: ok 16000
191: # math: passed testEigenvectors
191: 1..16000
191: # math: all tests are successful
192: # Unit tests for OBMol 
192: ok 1
192: ok 2
192: ok 3
192: ok 4
192: ok 5
192: ok 6
192: ok 7
192: ok 8
192: ok 9
192: ok 10
192: ok 11
192: ok 12
192: ok 13
192: ==============================
192: *** Open Babel Warning  in GetSpacedFormula
192:   Skipping unknown element with atomic number 200
192: ok 14
192: ok 15 0
192: 1..15
169: ok 1 # dipole
169: ok 2 # charge
169: ok 3 # charge
169: ok 4 # charge
169: ok 5 # charge
169: ok 6 # charge
169: ok 7 # charge
169: ok 8 # charge
169: ok 9 # charge
169: ok 10 # charge
169: ok 11 # charge
169: ok 12 # charge
169: ok 13 # charge
169: ok 14 # charge
169: ok 15 # charge
169: ok 16 # charge
169: ok 17 # charge
169: ok 18 # charge
169: ok 19 # charge
169: ok 20 # charge
169: ok 21 # charge
169: ok 22 # charge
169: ok 23 # charge
169: ok 24 # charge
169: ok 25 # charge
169: ok 26 # charge
169: ok 27 # charge
169: ok 28 # charge
169: ok 29 # charge
169: ok 30 # charge
169: ok 31 # charge
169: ok 32 # charge
169: ok 33 # charge
169: ok 34 # charge
169: ok 35 # charge
169: ok 36 # charge
169: ok 37 # charge
169: ok 38 # charge
169: ok 39 # charge
169: ok 40 # charge
169: ok 41 # dipole
169: ok 42 # charge
169: ok 43 # charge
169: ok 44 # charge
169: ok 45 # charge
169: ok 46 # charge
169: ok 47 # charge
169: ok 48 # charge
169: ok 49 # dipole
169: ok 50 # charge
169: ok 51 # charge
169: ok 52 # charge
169: ok 53 # charge
169: ok 54 # charge
169: ok 55 # charge
169: ok 56 # charge
169: ok 57 # charge
169: ok 58 # charge
169: ok 59 # dipole
169: ok 60 # charge
169: ok 61 # charge
169: ok 62 # charge
169: ok 63 # charge
169: ok 64 # charge
169: ok 65 # charge
169: ok 66 # charge
169: ok 67 # charge
169: ok 68 # dipole
169: ok 69 # charge
169: ok 70 # charge
169: ok 71 # charge
169: ok 72 # charge
169: ok 73 # charge
169: ok 74 # charge
169: ok 75 # charge
169: ok 76 # charge
169: ok 77 # charge
169: ok 78 # charge
169: ok 79 # charge
169: ok 80 # charge
169: ok 81 # charge
169: ok 82 # dipole
169: ok 83 # charge
169: ok 84 # charge
169: ok 85 # charge
169: ok 86 # charge
169: ok 87 # charge
169: ok 88 # charge
169: ok 89 # charge
169: ok 90 # charge
169: ok 91 # charge
169: ok 92 # charge
169: ok 93 # charge
169: ok 94 # charge
169: ok 95 # charge
169: ok 96 # dipole
169: ok 97 # charge
169: ok 98 # charge
169: ok 99 # charge
169: ok 100 # charge
169: ok 101 # charge
169: ok 102 # charge
169: ok 103 # charge
169: ok 104 # charge
169: ok 105 # charge
169: ok 106 # charge
169: ok 107 # charge
169: ok 108 # charge
169: ok 109 # charge
169: ok 110 # charge
169: ok 111 # charge
169: ok 112 # charge
169: ok 113 # charge
169: ok 114 # charge
169: ok 115 # charge
169: ok 116 # charge
169: ok 117 # charge
169: ok 118 # charge
169: ok 119 # charge
169: ok 120 # charge
169: ok 121 # charge
169: ok 122 # charge
169: ok 123 # charge
169: ok 124 # charge
169: ok 125 # charge
169: ok 126 # charge
169: ok 127 # charge
169: ok 128 # charge
169: ok 129 # charge
169: ok 130 # charge
169: ok 131 # charge
169: ok 132 # charge
169: ok 133 # charge
169: ok 134 # charge
169: ok 135 # charge
169: ok 136 # charge
169: ok 137 # charge
169: ok 138 # charge
169: ok 139 # charge
169: ok 140 # charge
169: ok 141 # charge
169: ok 142 # charge
169: ok 143 # charge
169: ok 144 # charge
169: ok 145 # charge
169: ok 146 # charge
169: ok 147 # charge
169: ok 148 # charge
169: ok 149 # charge
169: ok 150 # charge
169: ok 151 # charge
169: ok 152 # charge
169: ok 153 # charge
169: ok 154 # charge
169: ok 155 # charge
169: ok 156 # charge
169: ok 157 # charge
169: ok 158 # charge
169: ok 159 # charge
169: ok 160 # charge
169: ok 161 # charge
169: ok 162 # dipole
169: ok 163 # charge
169: ok 164 # charge
169: ok 165 # charge
169: ok 166 # charge
169: ok 167 # charge
169: ok 168 # charge
169: ok 169 # charge
169: ok 170 # charge
169: ok 171 # charge
169: ok 172 # charge
169: ok 173 # charge
169: ok 174 # charge
169: ok 175 # charge
169: ok 176 # charge
169: ok 177 # charge
169: ok 178 # charge
169: ok 179 # charge
169: ok 180 # charge
169: ok 181 # charge
169: ok 182 # charge
169: ok 183 # charge
169: ok 184 # charge
169: ok 185 # charge
169: ok 186 # charge
169: ok 187 # dipole
169: ok 188 # charge
169: ok 189 # charge
169: ok 190 # charge
169: ok 191 # charge
169: ok 192 # charge
169: ok 193 # charge
169: ok 194 # charge
169: ok 195 # charge
169: ok 196 # charge
169: ok 197 # charge
169: ok 198 # charge
169: ok 199 # charge
169: ok 200 # charge
169: ok 201 # charge
169: ok 202 # charge
169: ok 203 # charge
169: ok 204 # charge
169: ok 205 # charge
169: ok 206 # charge
169: ok 207 # charge
169: ok 208 # charge
169: ok 209 # charge
169: ok 210 # charge
169: ok 211 # charge
169: ok 212 # charge
169: ok 213 # charge
169: ok 214 # charge
169: ok 215 # charge
169: ok 216 # charge
169: ok 217 # charge
169: ok 218 # charge
169: ok 219 # charge
169: ok 220 # charge
169: ok 221 # charge
169: ok 222 # charge
169: ok 223 # charge
169: ok 224 # charge
169: ok 225 # charge
169: ok 226 # charge
169: ok 227 # charge
169: ok 228 # charge
169: ok 229 # charge
169: ok 230 # charge
169: ok 231 # charge
169: ok 232 # charge
169: ok 233 # charge
169: ok 234 # charge
169: ok 235 # charge
169: ok 236 # charge
169: ok 237 # charge
169: ok 238 # charge
169: ok 239 # charge
169: ok 240 # charge
169: ok 241 # charge
169: ok 242 # charge
169: ok 243 # charge
169: ok 244 # charge
169: ok 245 # charge
169: ok 246 # charge
169: ok 247 # charge
169: ok 248 # dipole
169: ok 249 # charge
169: ok 250 # charge
169: ok 251 # charge
169: ok 252 # charge
169: ok 253 # charge
169: ok 254 # charge
169: ok 255 # charge
169: ok 256 # charge
169: ok 257 # charge
169: ok 258 # charge
169: ok 259 # charge
169: ok 260 # charge
169: ok 261 # charge
169: ok 262 # charge
169: ok 263 # charge
169: ok 264 # charge
169: ok 265 # charge
169: ok 266 # charge
169: ok 267 # charge
169: ok 268 # charge
169: ok 269 # charge
169: ok 270 # charge
169: ok 271 # charge
169: ok 272 # charge
169: ok 273 # dipole
169: ok 274 # charge
169: ok 275 # charge
169: ok 276 # charge
169: ok 277 # charge
169: ok 278 # charge
169: ok 279 # charge
169: ok 280 # charge
169: ok 281 # charge
169: ok 282 # charge
169: ok 283 # charge
169: ok 284 # charge
169: ok 285 # charge
169: ok 286 # charge
169: ok 287 # charge
169: ok 288 # charge
169: ok 289 # charge
169: ok 290 # charge
169: ok 291 # charge
169: ok 292 # charge
169: ok 293 # charge
169: ok 294 # charge
169: ok 295 # charge
169: ok 296 # charge
169: ok 297 # charge
169: ok 298 # charge
169: ok 299 # charge
169: ok 300 # charge
169: ok 301 # charge
169: ok 302 # charge
169: ok 303 # charge
169: ok 304 # charge
169: ok 305 # charge
169: ok 306 # charge
169: ok 307 # charge
169: ok 308 # charge
169: ok 309 # charge
169: ok 310 # charge
169: ok 311 # charge
169: ok 312 # charge
169: ok 313 # charge
169: ok 314 # charge
169: ok 315 # charge
169: ok 316 # charge
169: ok 317 # charge
169: ok 318 # charge
169: ok 319 # charge
169: ok 320 # charge
169: ok 321 # charge
169: ok 322 # charge
169: ok 323 # charge
169: ok 324 # charge
169: ok 325 # charge
169: ok 326 # charge
169: ok 327 # charge
169: ok 328 # charge
169: ok 329 # charge
169: ok 330 # charge
169: ok 331 # charge
169: ok 332 # charge
169: ok 333 # charge
169: ok 334 # charge
169: ok 335 # charge
169: ok 336 # charge
169: ok 337 # charge
169: ok 338 # charge
169: ok 339 # charge
169: ok 340 # charge
169: ok 341 # charge
169: ok 342 # charge
169: ok 343 # charge
169: ok 344 # charge
169: ok 345 # charge
169: ok 346 # charge
169: ok 347 # charge
169: ok 348 # dipole
169: ok 349 # charge
169: ok 350 # charge
169: ok 351 # charge
169: ok 352 # charge
169: ok 353 # charge
169: ok 354 # charge
169: ok 355 # charge
169: ok 356 # charge
169: ok 357 # charge
169: ok 358 # charge
169: ok 359 # charge
169: ok 360 # charge
169: ok 361 # charge
169: ok 362 # charge
169: ok 363 # charge
169: ok 364 # charge
169: ok 365 # charge
169: ok 366 # charge
169: ok 367 # charge
169: ok 368 # charge
169: ok 369 # charge
169: ok 370 # charge
169: ok 371 # charge
169: ok 372 # charge
169: ok 373 # charge
169: ok 374 # charge
169: ok 375 # charge
169: ok 376 # charge
169: ok 377 # charge
169: ok 378 # charge
169: ok 379 # charge
169: ok 380 # charge
169: ok 381 # charge
169: ok 382 # charge
169: ok 383 # charge
169: ok 384 # charge
169: ok 385 # charge
169: ok 386 # charge
169: ok 387 # charge
169: ok 388 # charge
169: ok 389 # charge
169: ok 390 # charge
169: ok 391 # dipole
169: ok 392 # charge
169: ok 393 # charge
169: ok 394 # charge
169: ok 395 # charge
169: ok 396 # charge
169: ok 397 # charge
169: ok 398 # charge
169: ok 399 # charge
169: ok 400 # charge
169: ok 401 # charge
169: ok 402 # charge
169: ok 403 # charge
169: ok 404 # charge
169: ok 405 # charge
169: ok 406 # charge
169: ok 407 # charge
169: ok 408 # charge
169: ok 409 # charge
169: ok 410 # charge
169: ok 411 # charge
169: ok 412 # charge
169: ok 413 # charge
169: ok 414 # charge
169: ok 415 # charge
169: ok 416 # charge
169: ok 417 # charge
169: ok 418 # charge
169: ok 419 # charge
169: ok 420 # charge
169: ok 421 # charge
169: ok 422 # charge
169: ok 423 # charge
169: ok 424 # charge
169: ok 425 # charge
169: ok 426 # charge
169: ok 427 # charge
169: ok 428 # charge
169: ok 429 # dipole
169: ok 430 # charge
169: ok 431 # charge
169: ok 432 # charge
169: ok 433 # charge
169: ok 434 # charge
169: ok 435 # charge
169: ok 436 # charge
169: ok 437 # charge
169: ok 438 # charge
169: ok 439 # charge
169: ok 440 # charge
169: ok 441 # charge
169: ok 442 # charge
169: ok 443 # charge
169: ok 444 # charge
169: ok 445 # charge
169: ok 446 # charge
169: ok 447 # charge
169: ok 448 # charge
169: ok 449 # charge
169: ok 450 # charge
169: ok 451 # charge
169: ok 452 # charge
169: ok 453 # charge
169: ok 454 # charge
169: ok 455 # charge
169: ok 456 # charge
169: ok 457 # charge
169: ok 458 # charge
169: ok 459 # charge
169: ok 460 # charge
169: ok 461 # charge
169: ok 462 # charge
169: ok 463 # charge
169: ok 464 # charge
169: ok 465 # charge
169: ok 466 # charge
169: ok 467 # charge
169: ok 468 # charge
169: ok 469 # dipole
169: ok 470 # charge
169: ok 471 # charge
169: ok 472 # charge
169: ok 473 # charge
169: ok 474 # charge
169: ok 475 # charge
169: ok 476 # charge
169: ok 477 # charge
169: ok 478 # charge
169: ok 479 # charge
169: ok 480 # charge
169: ok 481 # charge
169: ok 482 # charge
169: ok 483 # charge
169: ok 484 # charge
169: ok 485 # charge
169: ok 486 # charge
169: ok 487 # charge
169: ok 488 # charge
169: ok 489 # charge
169: ok 490 # charge
169: ok 491 # charge
169: ok 492 # charge
169: ok 493 # charge
169: ok 494 # charge
169: ok 495 # charge
169: ok 496 # charge
169: ok 497 # charge
169: ok 498 # charge
169: ok 499 # charge
169: ok 500 # charge
169: ok 501 # charge
169: ok 502 # charge
169: ok 503 # dipole
169: ok 504 # charge
169: ok 505 # charge
169: ok 506 # charge
169: ok 507 # charge
169: ok 508 # charge
169: ok 509 # charge
169: ok 510 # charge
169: ok 511 # charge
169: ok 512 # charge
169: ok 513 # charge
169: ok 514 # charge
169: ok 515 # charge
169: ok 516 # charge
169: ok 517 # charge
169: ok 518 # charge
169: ok 519 # charge
169: ok 520 # charge
169: ok 521 # charge
169: ok 522 # charge
169: ok 523 # charge
169: ok 524 # charge
169: ok 525 # charge
169: ok 526 # charge
169: ok 527 # charge
169: ok 528 # charge
169: ok 529 # charge
169: ok 530 # charge
169: ok 531 # charge
169: ok 532 # charge
169: ok 533 # charge
169: ok 534 # charge
169: ok 535 # dipole
169: ok 536 # charge
169: ok 537 # charge
169: ok 538 # charge
169: ok 539 # charge
169: ok 540 # charge
169: ok 541 # charge
169: ok 542 # charge
169: ok 543 # charge
169: ok 544 # charge
169: ok 545 # charge
169: ok 546 # charge
169: ok 547 # charge
169: ok 548 # charge
169: ok 549 # charge
169: ok 550 # charge
169: ok 551 # charge
169: ok 552 # charge
169: ok 553 # charge
169: ok 554 # charge
169: ok 555 # charge
169: ok 556 # charge
169: ok 557 # charge
169: ok 558 # charge
169: ok 559 # charge
169: ok 560 # charge
169: ok 561 # charge
169: ok 562 # charge
169: ok 563 # dipole
169: ok 564 # charge
169: ok 565 # charge
169: ok 566 # charge
169: ok 567 # charge
169: ok 568 # charge
169: ok 569 # charge
169: ok 570 # charge
169: ok 571 # charge
169: ok 572 # charge
169: ok 573 # charge
169: ok 574 # charge
169: ok 575 # charge
169: ok 576 # charge
169: ok 577 # charge
169: ok 578 # charge
169: ok 579 # charge
169: ok 580 # charge
169: ok 581 # charge
169: ok 582 # charge
169: ok 583 # charge
169: ok 584 # charge
169: ok 585 # charge
169: ok 586 # charge
169: ok 587 # charge
169: ok 588 # charge
169: ok 589 # charge
169: ok 590 # charge
169: ok 591 # charge
169: ok 592 # charge
169: ok 593 # charge
169: ok 594 # charge
169: ok 595 # charge
169: ok 596 # charge
169: ok 597 # charge
169: ok 598 # charge
169: ok 599 # charge
169: ok 600 # charge
169: ok 601 # charge
169: ok 602 # charge
169: ok 603 # charge
169: ok 604 # charge
169: ok 605 # charge
169: ok 606 # charge
169: ok 607 # charge
169: ok 608 # charge
169: ok 609 # charge
169: ok 610 # charge
169: ok 611 # charge
169: ok 612 # charge
169: ok 613 # charge
169: ok 614 # charge
169: ok 615 # charge
169: ok 616 # charge
169: ok 617 # charge
169: ok 618 # charge
169: ok 619 # charge
169: ok 620 # charge
169: ok 621 # charge
169: ok 622 # charge
169: ok 623 # charge
169: ok 624 # charge
169: ok 625 # charge
169: ok 626 # charge
168: ok 1 # dipole
168: ok 2 # charge
168: ok 3 # charge
168: ok 4 # charge
168: ok 5 # charge
168: ok 6 # charge
168: ok 7 # charge
168: ok 8 # charge
168: ok 9 # charge
168: ok 10 # charge
168: ok 11 # charge
168: ok 12 # charge
168: ok 13 # charge
168: ok 14 # charge
168: ok 15 # charge
168: ok 16 # charge
168: ok 17 # charge
168: ok 18 # charge
168: ok 19 # charge
168: ok 20 # charge
168: ok 21 # charge
168: ok 22 # charge
168: ok 23 # charge
168: ok 24 # charge
168: ok 25 # charge
168: ok 26 # charge
168: ok 27 # charge
168: ok 28 # charge
168: ok 29 # charge
168: ok 30 # charge
168: ok 31 # charge
168: ok 32 # charge
168: ok 33 # charge
168: ok 34 # charge
168: ok 35 # charge
168: ok 36 # charge
168: ok 37 # charge
168: ok 38 # charge
168: ok 39 # charge
168: ok 40 # charge
168: ok 41 # dipole
168: ok 42 # charge
168: ok 43 # charge
168: ok 44 # charge
168: ok 45 # charge
168: ok 46 # charge
168: ok 47 # charge
168: ok 48 # charge
168: ok 49 # dipole
168: ok 50 # charge
168: ok 51 # charge
168: ok 52 # charge
168: ok 53 # charge
168: ok 54 # charge
168: ok 55 # charge
168: ok 56 # charge
168: ok 57 # charge
168: ok 58 # charge
168: ok 59 # dipole
168: ok 60 # charge
168: ok 61 # charge
168: ok 62 # charge
168: ok 63 # charge
168: ok 64 # charge
168: ok 65 # charge
168: ok 66 # charge
168: ok 67 # charge
168: ok 68 # dipole
168: ok 69 # charge
168: ok 70 # charge
168: ok 71 # charge
168: ok 72 # charge
168: ok 73 # charge
168: ok 74 # charge
168: ok 75 # charge
168: ok 76 # charge
168: ok 77 # charge
168: ok 78 # charge
168: ok 79 # charge
168: ok 80 # charge
168: ok 81 # charge
168: ok 82 # dipole
168: ok 83 # charge
168: ok 84 # charge
168: ok 85 # charge
168: ok 86 # charge
168: ok 87 # charge
168: ok 88 # charge
168: ok 89 # charge
168: ok 90 # charge
168: ok 91 # charge
168: ok 92 # charge
168: ok 93 # charge
168: ok 94 # charge
168: ok 95 # charge
168: ok 96 # dipole
168: ok 97 # charge
168: ok 98 # charge
168: ok 99 # charge
168: ok 100 # charge
168: ok 101 # charge
168: ok 102 # charge
168: ok 103 # charge
168: ok 104 # charge
168: ok 105 # charge
168: ok 106 # charge
168: ok 107 # charge
168: ok 108 # charge
168: ok 109 # charge
168: ok 110 # charge
168: ok 111 # charge
168: ok 112 # charge
168: ok 113 # charge
168: ok 114 # charge
168: ok 115 # charge
168: ok 116 # charge
168: ok 117 # charge
168: ok 118 # charge
168: ok 119 # charge
168: ok 120 # charge
168: ok 121 # charge
168: ok 122 # charge
168: ok 123 # charge
168: ok 124 # charge
168: ok 125 # charge
168: ok 126 # charge
168: ok 127 # charge
168: ok 128 # charge
168: ok 129 # charge
168: ok 130 # charge
168: ok 131 # charge
168: ok 132 # charge
168: ok 133 # charge
168: ok 134 # charge
168: ok 135 # charge
168: ok 136 # charge
168: ok 137 # charge
168: ok 138 # charge
168: ok 139 # charge
168: ok 140 # charge
168: ok 141 # charge
168: ok 142 # charge
168: ok 143 # charge
168: ok 144 # charge
168: ok 145 # charge
168: ok 146 # charge
168: ok 147 # charge
168: ok 148 # charge
168: ok 149 # charge
168: ok 150 # charge
168: ok 151 # charge
168: ok 152 # charge
168: ok 153 # charge
168: ok 154 # charge
168: ok 155 # charge
168: ok 156 # charge
168: ok 157 # charge
168: ok 158 # charge
168: ok 159 # charge
168: ok 160 # charge
168: ok 161 # charge
168: ok 162 # dipole
168: ok 163 # charge
168: ok 164 # charge
168: ok 165 # charge
168: ok 166 # charge
168: ok 167 # charge
168: ok 168 # charge
168: ok 169 # charge
168: ok 170 # charge
168: ok 171 # charge
168: ok 172 # charge
168: ok 173 # charge
168: ok 174 # charge
168: ok 175 # charge
168: ok 176 # charge
168: ok 177 # charge
168: ok 178 # charge
168: ok 179 # charge
168: ok 180 # charge
168: ok 181 # charge
168: ok 182 # charge
168: ok 183 # charge
168: ok 184 # charge
168: ok 185 # charge
168: ok 186 # charge
168: ok 187 # dipole
168: ok 188 # charge
168: ok 189 # charge
168: ok 190 # charge
168: ok 191 # charge
168: ok 192 # charge
168: ok 193 # charge
168: ok 194 # charge
168: ok 195 # charge
168: ok 196 # charge
168: ok 197 # charge
168: ok 198 # charge
168: ok 199 # charge
168: ok 200 # charge
168: ok 201 # charge
168: ok 202 # charge
168: ok 203 # charge
168: ok 204 # charge
168: ok 205 # charge
168: ok 206 # charge
168: ok 207 # charge
168: ok 208 # charge
168: ok 209 # charge
168: ok 210 # charge
168: ok 211 # charge
168: ok 212 # charge
168: ok 213 # charge
168: ok 214 # charge
168: ok 215 # charge
168: ok 216 # charge
168: ok 217 # charge
168: ok 218 # charge
168: ok 219 # charge
168: ok 220 # charge
168: ok 221 # charge
168: ok 222 # charge
168: ok 223 # charge
168: ok 224 # charge
168: ok 225 # charge
168: ok 226 # charge
168: ok 227 # charge
168: ok 228 # charge
168: ok 229 # charge
168: ok 230 # charge
168: ok 231 # charge
168: ok 232 # charge
168: ok 233 # charge
168: ok 234 # charge
168: ok 235 # charge
168: ok 236 # charge
168: ok 237 # charge
168: ok 238 # charge
168: ok 239 # charge
168: ok 240 # charge
168: ok 241 # charge
168: ok 242 # charge
168: ok 243 # charge
168: ok 244 # charge
168: ok 245 # charge
168: ok 246 # charge
168: ok 247 # charge
168: ok 248 # dipole
168: ok 249 # charge
168: ok 250 # charge
168: ok 251 # charge
168: ok 252 # charge
168: ok 253 # charge
168: ok 254 # charge
168: ok 255 # charge
168: ok 256 # charge
168: ok 257 # charge
168: ok 258 # charge
168: ok 259 # charge
168: ok 260 # charge
168: ok 261 # charge
168: ok 262 # charge
168: ok 263 # charge
168: ok 264 # charge
168: ok 265 # charge
168: ok 266 # charge
168: ok 267 # charge
168: ok 268 # charge
168: ok 269 # charge
168: ok 270 # charge
168: ok 271 # charge
168: ok 272 # charge
168: ok 273 # dipole
168: ok 274 # charge
168: ok 275 # charge
168: ok 276 # charge
168: ok 277 # charge
168: ok 278 # charge
168: ok 279 # charge
168: ok 280 # charge
168: ok 281 # charge
168: ok 282 # charge
168: ok 283 # charge
168: ok 284 # charge
168: ok 285 # charge
168: ok 286 # charge
168: ok 287 # charge
168: ok 288 # charge
168: ok 289 # charge
168: ok 290 # charge
168: ok 291 # charge
168: ok 292 # charge
168: ok 293 # charge
168: ok 294 # charge
168: ok 295 # charge
168: ok 296 # charge
168: ok 297 # charge
168: ok 298 # charge
168: ok 299 # charge
168: ok 300 # charge
168: ok 301 # charge
168: ok 302 # charge
168: ok 303 # charge
168: ok 304 # charge
168: ok 305 # charge
168: ok 306 # charge
168: ok 307 # charge
168: ok 308 # charge
168: ok 309 # charge
168: ok 310 # charge
168: ok 311 # charge
168: ok 312 # charge
168: ok 313 # charge
168: ok 314 # charge
168: ok 315 # charge
168: ok 316 # charge
168: ok 317 # charge
168: ok 318 # charge
168: ok 319 # charge
168: ok 320 # charge
168: ok 321 # charge
168: ok 322 # charge
168: ok 323 # charge
168: ok 324 # charge
168: ok 325 # charge
168: ok 326 # charge
168: ok 327 # charge
168: ok 328 # charge
168: ok 329 # charge
168: ok 330 # charge
168: ok 331 # charge
168: ok 332 # charge
168: ok 333 # charge
168: ok 334 # charge
168: ok 335 # charge
168: ok 336 # charge
168: ok 337 # charge
168: ok 338 # charge
168: ok 339 # charge
168: ok 340 # charge
168: ok 341 # charge
168: ok 342 # charge
168: ok 343 # charge
168: ok 344 # charge
168: ok 345 # charge
168: ok 346 # charge
168: ok 347 # charge
168: ok 348 # dipole
168: ok 349 # charge
168: ok 350 # charge
168: ok 351 # charge
168: ok 352 # charge
168: ok 353 # charge
168: ok 354 # charge
168: ok 355 # charge
168: ok 356 # charge
168: ok 357 # charge
168: ok 358 # charge
168: ok 359 # charge
168: ok 360 # charge
168: ok 361 # charge
168: ok 362 # charge
168: ok 363 # charge
168: ok 364 # charge
168: ok 365 # charge
168: ok 366 # charge
168: ok 367 # charge
168: ok 368 # charge
168: ok 369 # charge
168: ok 370 # charge
168: ok 371 # charge
168: ok 372 # charge
168: ok 373 # charge
168: ok 374 # charge
168: ok 375 # charge
168: ok 376 # charge
168: ok 377 # charge
168: ok 378 # charge
168: ok 379 # charge
168: ok 380 # charge
168: ok 381 # charge
168: ok 382 # charge
168: ok 383 # charge
168: ok 384 # charge
168: ok 385 # charge
168: ok 386 # charge
168: ok 387 # charge
168: ok 388 # charge
168: ok 389 # charge
168: ok 390 # charge
168: ok 391 # dipole
168: ok 392 # charge
168: ok 393 # charge
168: ok 394 # charge
168: ok 395 # charge
168: ok 396 # charge
168: ok 397 # charge
168: ok 398 # charge
168: ok 399 # charge
168: ok 400 # charge
168: ok 401 # charge
168: ok 402 # charge
168: ok 403 # charge
168: ok 404 # charge
168: ok 405 # charge
168: ok 406 # charge
168: ok 407 # charge
168: ok 408 # charge
168: ok 409 # charge
168: ok 410 # charge
168: ok 411 # charge
168: ok 412 # charge
168: ok 413 # charge
168: ok 414 # charge
168: ok 415 # charge
168: ok 416 # charge
168: ok 417 # charge
168: ok 418 # charge
168: ok 419 # charge
168: ok 420 # charge
168: ok 421 # charge
168: ok 422 # charge
168: ok 423 # charge
168: ok 424 # charge
168: ok 425 # charge
168: ok 426 # charge
168: ok 427 # charge
168: ok 428 # charge
168: ok 429 # dipole
168: ok 430 # charge
168: ok 431 # charge
168: ok 432 # charge
168: ok 433 # charge
168: ok 434 # charge
168: ok 435 # charge
168: ok 436 # charge
168: ok 437 # charge
168: ok 438 # charge
168: ok 439 # charge
168: ok 440 # charge
168: ok 441 # charge
168: ok 442 # charge
168: ok 443 # charge
168: ok 444 # charge
168: ok 445 # charge
168: ok 446 # charge
168: ok 447 # charge
168: ok 448 # charge
168: ok 449 # charge
168: ok 450 # charge
168: ok 451 # charge
168: ok 452 # charge
168: ok 453 # charge
168: ok 454 # charge
168: ok 455 # charge
168: ok 456 # charge
168: ok 457 # charge
168: ok 458 # charge
168: ok 459 # charge
168: ok 460 # charge
168: ok 461 # charge
168: ok 462 # charge
168: ok 463 # charge
168: ok 464 # charge
168: ok 465 # charge
168: ok 466 # charge
168: ok 467 # charge
168: ok 468 # charge
168: ok 469 # dipole
168: ok 470 # charge
168: ok 471 # charge
168: ok 472 # charge
168: ok 473 # charge
168: ok 474 # charge
168: ok 475 # charge
168: ok 476 # charge
168: ok 477 # charge
168: ok 478 # charge
168: ok 479 # charge
168: ok 480 # charge
168: ok 481 # charge
168: ok 482 # charge
168: ok 483 # charge
168: ok 484 # charge
168: ok 485 # charge
168: ok 486 # charge
168: ok 487 # charge
168: ok 488 # charge
168: ok 489 # charge
168: ok 490 # charge
168: ok 491 # charge
168: ok 492 # charge
168: ok 493 # charge
168: ok 494 # charge
168: ok 495 # charge
168: ok 496 # charge
168: ok 497 # charge
168: ok 498 # charge
168: ok 499 # charge
168: ok 500 # charge
168: ok 501 # charge
168: ok 502 # charge
168: ok 503 # dipole
168: ok 504 # charge
168: ok 505 # charge
168: ok 506 # charge
168: ok 507 # charge
168: ok 508 # charge
168: ok 509 # charge
168: ok 510 # charge
168: ok 511 # charge
168: ok 512 # charge
168: ok 513 # charge
168: ok 514 # charge
168: ok 515 # charge
168: ok 516 # charge
168: ok 517 # charge
168: ok 518 # charge
168: ok 519 # charge
168: ok 520 # charge
168: ok 521 # charge
168: ok 522 # charge
168: ok 523 # charge
168: ok 524 # charge
168: ok 525 # charge
168: ok 526 # charge
168: ok 527 # charge
168: ok 528 # charge
168: ok 529 # charge
168: ok 530 # charge
168: ok 531 # charge
168: ok 532 # charge
168: ok 533 # charge
168: ok 534 # charge
168: ok 535 # dipole
168: ok 536 # charge
168: ok 537 # charge
168: ok 538 # charge
168: ok 539 # charge
168: ok 540 # charge
168: ok 541 # charge
168: ok 542 # charge
168: ok 543 # charge
168: ok 544 # charge
168: ok 545 # charge
168: ok 546 # charge
168: ok 547 # charge
168: ok 548 # charge
168: ok 549 # charge
168: ok 550 # charge
168: ok 551 # charge
168: ok 552 # charge
168: ok 553 # charge
168: ok 554 # charge
168: ok 555 # charge
168: ok 556 # charge
168: ok 557 # charge
168: ok 558 # charge
168: ok 559 # charge
168: ok 560 # charge
168: ok 561 # charge
168: ok 562 # charge
168: ok 563 # dipole
168: ok 564 # charge
168: ok 565 # charge
168: ok 566 # charge
168: ok 567 # charge
168: ok 568 # charge
168: ok 569 # charge
168: ok 570 # charge
168: ok 571 # charge
168: ok 572 # charge
168: ok 573 # charge
168: ok 574 # charge
168: ok 575 # charge
168: ok 576 # charge
168: ok 577 # charge
168: ok 578 # charge
168: ok 579 # charge
168: ok 580 # charge
168: ok 581 # charge
168: ok 582 # charge
168: ok 583 # charge
168: ok 584 # charge
168: ok 585 # charge
168: ok 586 # charge
168: ok 587 # charge
168: ok 588 # charge
168: ok 589 # charge
168: ok 590 # charge
168: ok 591 # charge
168: ok 592 # charge
168: ok 593 # charge
168: ok 594 # charge
168: ok 595 # charge
168: ok 596 # charge
168: ok 597 # charge
168: ok 598 # charge
168: ok 599 # charge
168: ok 600 # charge
168: ok 601 # charge
168: ok 602 # charge
168: ok 603 # charge
168: ok 604 # charge
168: ok 605 # charge
168: ok 606 # charge
168: ok 607 # charge
168: ok 608 # charge
168: ok 609 # charge
168: ok 610 # charge
168: ok 611 # charge
168: ok 612 # charge
168: ok 613 # charge
168: ok 614 # charge
168: ok 615 # charge
168: ok 616 # charge
168: ok 617 # charge
168: ok 618 # charge
168: ok 619 # charge
168: ok 620 # charge
168: ok 621 # charge
168: ok 622 # charge
168: ok 623 # charge
168: ok 624 # charge
168: ok 625 # charge
168: ok 626 # charge
168: 1..626
193: # Unit tests for OBMol 
193: ok 1
193: ok 2!
193: ok 3!
193: ok 4!
193: ok 5!
193: ok 6!
193: ok 7!
193: ok 8!
193: 1..6
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 1)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 2)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 3)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 4)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 5)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 6)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 7)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 8)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 9)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 10)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 11)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 12)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 13)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 14)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 15)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 16)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 17)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 18)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 19)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 20)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 21)
194: ==============================
194: *** Open Babel Warning  in parseAtomRecord
194:   WARNING: Problems reading a PDB file
194:   Problems reading a HETATM or ATOM record.
194:   According to the PDB specification,
194:   columns 77-78 should contain the element symbol of an atom.
194:   but OpenBabel found '  ' (atom 22)
194: # Unit tests for OBMol 
194: ok 1
194: ok 2!
194: ok 3!
194: ok 4!
194: ok 5!
194: ok 6!
194: ok 7!
194: ok 8!
194: 1..6
195: # Unit tests for OBMol 
195: ok 1
195: ok 2!
195: ok 3!
195: ok 4!
195: ok 5!
195: ok 6!
195: ok 7!
195: ok 8!
195: 1..6
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 1)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 2)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 3)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 4)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 5)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 6)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 7)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 8)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 9)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 10)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 11)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 12)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 13)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 14)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 15)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 16)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 17)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 18)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 19)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 20)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 21)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 22)
196: # Unit tests for OBMol 
196: ok 1
196: ok 2!
196: ok 3!
196: ok 4!
196: ok 5!
196: ok 6!
196: ok 7!
196: ok 8!
196: 1..6
197: # Asp
197: #pH = 1.0 : [NH3+]C(CC(=O)O)C(=O)O	
197: ok 1
197: #pH = 3.9 : [NH3+]C(CC(=O)[O-])C(=O)O	
197: ok 2
197: #pH = 7.4 : [NH3+]C(CC(=O)[O-])C(=O)[O-]	
197: ok 3
197: #pH = 13.0 : NC(CC(=O)[O-])C(=O)[O-]	
197: ok 4
197: # Glu
197: #pH = 1.0 : [NH3+]C(CCC(=O)O)C(=O)O	
197: ok 5
197: #pH = 4.15 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
197: #pH = 7.4 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
197: ok 6
197: #pH = 13.0 : NC(CCC(=O)[O-])C(=O)[O-]	
197: ok 7
197: # His
197: #pH = 1.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)O	
197: ok 8
197: #pH = 5.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)[O-]	
197: ok 9
197: #pH = 7.4 : [NH3+]C(Cc1nc[nH]c1)C(=O)[O-]	
197: ok 10
197: #pH = 13.0 : NC(Cc1nc[nH]c1)C(=O)[O-]	
197: ok 11
197: # Lys
197: #pH = 1.0 : [NH3+]C(CCCC[NH3+])C(=O)O	
197: ok 12
197: #pH = 7.4 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
197: ok 13
197: #pH = 9.0 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
197: #pH = 13.0 : NC(CCCCN)C(=O)[O-]	
197: ok 14
197: # Tyr
197: #pH = 1.0 : [NH3+]C(Cc1ccc(O)cc1)C(=O)O	
197: ok 15
197: #pH = 7.4 : [NH3+]C(Cc1ccc(O)cc1)C(=O)[O-]	
197: ok 16
197: #pH = 10.05 : NC(Cc1ccc(O)cc1)C(=O)[O-]	
197: ok 17
197: #pH = 13.0 : NC(Cc1ccc([O-])cc1)C(=O)[O-]	
197: ok 18
197: # Arg
197: #pH = 1.0 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)O	
197: ok 19
197: #pH = 7.4 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)[O-]	
197: ok 20
197: #pH = 11.0 : NC(CCCNC(=[NH2+])N)C(=O)[O-]	
197: ok 21
197: #pH = 13.0 : NC(CCCNC(=N)N)C(=O)[O-]	
197: ok 22
197: # Gly-Gly
197: #pH = 1.0 : [NH3+]CC(=O)NCC(=O)O	
197: ok 23
197: #pH = 7.4 : [NH3+]CC(=O)NCC(=O)[O-]	
197: ok 24
197: #pH = 13.0 : NCC(=O)NCC(=O)[O-]	
197: ok 25
197: 1..25
198: # Unit tests for OBResidue 
198: ok 1
198: ok 2
198: ok 3
198: ok 4 # ALA
198: ok 5 # ARG
198: ok 6 # ASN
198: ok 7 # ASP
198: ok 8 # CYS
198: ok 9 # GLU
198: ok 10 # GLN
198: ok 11 # GLY
198: ok 12 # HIS
198: ok 13 # ILE
198: ok 14 # LEU
198: ok 15 # LYS
198: ok 16 # MET
198: ok 17 # PHE
198: ok 18 # PRO
198: ok 19 # SER
198: ok 20 # THR
198: ok 21 # TRP
198: ok 22 # TYR
198: ok 23 # VAL
198: ok 24 #   A
198: ok 25 #   C
198: ok 26 #   G
198: ok 27 #   T
198: ok 28 #   U
198: ==============================
198: *** Open Babel Warning  in ParseSmiles
198:   Failed to kekulize aromatic SMILES
198: 
198: ok 29 # found ligand, not residue c1ccccc1
198: ok 30 # found ligand, not residue c1cccn[H]1
198: ok 31 # found ligand, not residue CC(=O)CCN
198: ok 32 # ALA VAL
198: ok 33 # CYS LEU
198: 1..33
199: # Testing ring perception...
199: ok 1 # correct ring bond data
199: ok 2 # correct ring bond data
199: ok 3 # correct ring bond data
199: ok 4 # correct ring bond data
199: ok 5 # correct ring bond data
199: ok 6 # correct ring bond data
199: ok 7 # correct ring bond data
199: ok 8 # correct ring bond data
199: ok 9 # correct ring bond data
199: ok 10 # correct ring bond data
199: ok 11 # correct ring bond data
199: ok 12 # correct ring bond data
199: ok 13 # correct ring bond data
199: ok 14 # SSSR size matches reference
199: ok 15 # correct SSSR count
199: ok 16 # ring membership passed
199: ok 17 # correct SSSR count
199: ok 18 # ring membership passed
199: ok 19 # correct SSSR count
199: ok 20 # ring membership passed
199: ok 21 # correct SSSR count
199: ok 22 # ring membership passed
199: ok 23 # correct SSSR count
199: ok 24 # ring membership passed
199: ok 25 # correct SSSR count
199: ok 26 # ring membership passed
199: ok 27 # correct SSSR count
199: ok 28 # ring membership passed
199: ok 29 # correct SSSR count
199: ok 30 # ring membership passed
199: ok 31 # correct SSSR count
199: ok 32 # ring membership passed
199: ok 33 # correct SSSR count
199: ok 34 # ring membership passed
199: ok 35 # correct SSSR count
199: ok 36 # ring membership passed
199: ok 37 # correct SSSR count
199: ok 38 # ring membership passed
199: ok 39 # correct ring bond data
199: ok 40 # correct ring bond data
199: ok 41 # correct ring bond data
199: ok 42 # correct ring bond data
199: ok 43 # correct ring bond data
199: ok 44 # correct ring bond data
199: ok 45 # correct ring bond data
199: ok 46 # correct ring bond data
199: ok 47 # correct ring bond data
199: ok 48 # correct ring bond data
199: ok 49 # correct ring bond data
199: ok 50 # correct ring bond data
199: ok 51 # correct ring bond data
199: ok 52 # correct ring bond data
199: ok 53 # correct ring bond data
199: ok 54 # SSSR size matches reference
199: ok 55 # correct SSSR count
199: ok 56 # ring membership passed
199: ok 57 # correct SSSR count
199: ok 58 # ring membership passed
199: ok 59 # correct SSSR count
199: ok 60 # ring membership passed
199: ok 61 # correct SSSR count
199: ok 62 # ring membership passed
199: ok 63 # correct SSSR count
199: ok 64 # ring membership passed
199: ok 65 # correct SSSR count
199: ok 66 # ring membership passed
199: ok 67 # correct SSSR count
199: ok 68 # ring membership passed
199: ok 69 # correct SSSR count
199: ok 70 # ring membership passed
199: ok 71 # correct SSSR count
199: ok 72 # ring membership passed
199: ok 73 # correct SSSR count
199: ok 74 # ring membership passed
199: ok 75 # correct SSSR count
199: ok 76 # ring membership passed
199: ok 77 # correct SSSR count
199: ok 78 # ring membership passed
199: ok 79 # correct SSSR count
199: ok 80 # ring membership passed
199: ok 81 # correct SSSR count
199: ok 82 # ring membership passed
199: ok 83 # correct ring bond data
199: ok 84 # correct ring bond data
199: ok 85 # correct ring bond data
199: ok 86 # correct ring bond data
199: ok 87 # correct ring bond data
199: ok 88 # correct ring bond data
199: ok 89 # correct ring bond data
199: ok 90 # correct ring bond data
199: ok 91 # correct ring bond data
199: ok 92 # correct ring bond data
199: ok 93 # SSSR size matches reference
199: ok 94 # correct SSSR count
199: ok 95 # ring membership passed
199: ok 96 # correct SSSR count
199: ok 97 # ring membership passed
199: ok 98 # correct SSSR count
199: ok 99 # ring membership passed
199: ok 100 # correct SSSR count
199: ok 101 # ring membership passed
199: ok 102 # correct SSSR count
199: ok 103 # ring membership passed
199: ok 104 # correct SSSR count
199: ok 105 # ring membership passed
199: ok 106 # correct SSSR count
199: ok 107 # ring membership passed
199: ok 108 # correct SSSR count
199: ok 109 # ring membership passed
199: ok 110 # correct SSSR count
199: ok 111 # ring membership passed
199: ok 112 # correct SSSR count
199: ok 113 # ring membership passed
199: ok 114 # correct ring bond data
199: ok 115 # correct ring bond data
199: ok 116 # correct ring bond data
199: ok 117 # correct ring bond data
199: ok 118 # correct ring bond data
199: ok 119 # correct ring bond data
199: ok 120 # correct ring bond data
199: ok 121 # correct ring bond data
199: ok 122 # correct ring bond data
199: ok 123 # correct ring bond data
199: ok 124 # correct ring bond data
199: ok 125 # correct ring bond data
199: ok 126 # correct ring bond data
199: ok 127 # correct ring bond data
199: ok 128 # correct ring bond data
199: ok 129 # correct ring bond data
199: ok 130 # correct ring bond data
199: ok 131 # correct ring bond data
199: ok 132 # correct ring bond data
199: ok 133 # correct ring bond data
199: ok 134 # correct ring bond data
199: ok 135 # correct ring bond data
199: ok 136 # correct ring bond data
199: ok 137 # correct ring bond data
199: ok 138 # SSSR size matches reference
199: ok 139 # correct SSSR count
199: ok 140 # ring membership passed
199: ok 141 # correct SSSR count
199: ok 142 # ring membership passed
199: ok 143 # correct SSSR count
199: ok 144 # ring membership passed
199: ok 145 # correct SSSR count
199: ok 146 # ring membership passed
199: ok 147 # correct SSSR count
199: ok 148 # ring membership passed
199: ok 149 # correct SSSR count
199: ok 150 # ring membership passed
199: ok 151 # correct SSSR count
199: ok 152 # ring membership passed
199: ok 153 # correct SSSR count
199: ok 154 # ring membership passed
199: ok 155 # correct SSSR count
199: ok 156 # ring membership passed
199: ok 157 # correct SSSR count
199: ok 158 # ring membership passed
199: ok 159 # correct SSSR count
199: ok 160 # ring membership passed
199: ok 161 # correct SSSR count
199: ok 162 # ring membership passed
199: ok 163 # correct SSSR count
199: ok 164 # ring membership passed
199: ok 165 # correct SSSR count
199: ok 166 # ring membership passed
199: ok 167 # correct SSSR count
199: ok 168 # ring membership passed
199: ok 169 # correct SSSR count
199: ok 170 # ring membership passed
199: ok 171 # correct SSSR count
199: ok 172 # ring membership passed
199: ok 173 # correct SSSR count
199: ok 174 # ring membership passed
199: ok 175 # correct SSSR count
199: ok 176 # ring membership passed
199: ok 177 # correct SSSR count
199: ok 178 # ring membership passed
199: ok 179 # correct SSSR count
199: ok 180 # ring membership passed
199: ok 181 # correct SSSR count
199: ok 182 # ring membership passed
199: ok 183 # correct ring bond data
199: ok 184 # correct ring bond data
199: ok 185 # correct ring bond data
199: ok 186 # correct ring bond data
199: ok 187 # correct ring bond data
199: ok 188 # correct ring bond data
199: ok 189 # correct ring bond data
199: ok 190 # correct ring bond data
199: ok 191 # correct ring bond data
199: ok 192 # correct ring bond data
199: ok 193 # correct ring bond data
199: ok 194 # correct ring bond data
199: ok 195 # correct ring bond data
199: ok 196 # correct ring bond data
199: ok 197 # correct ring bond data
199: ok 198 # correct ring bond data
199: ok 199 # correct ring bond data
199: ok 200 # correct ring bond data
199: ok 201 # correct ring bond data
199: ok 202 # correct ring bond data
199: ok 203 # correct ring bond data
199: ok 204 # correct ring bond data
199: ok 205 # correct ring bond data
199: ok 206 # correct ring bond data
199: ok 207 # SSSR size matches reference
199: ok 208 # correct SSSR count
199: ok 209 # ring membership passed
199: ok 210 # correct SSSR count
199: ok 211 # ring membership passed
199: ok 212 # correct SSSR count
199: ok 213 # ring membership passed
199: ok 214 # correct SSSR count
199: ok 215 # ring membership passed
199: ok 216 # correct SSSR count
199: ok 217 # ring membership passed
199: ok 218 # correct SSSR count
199: ok 219 # ring membership passed
199: ok 220 # correct SSSR count
199: ok 221 # ring membership passed
199: ok 222 # correct SSSR count
199: ok 223 # ring membership passed
199: ok 224 # correct SSSR count
199: ok 225 # ring membership passed
199: ok 226 # correct SSSR count
199: ok 227 # ring membership passed
199: ok 228 # correct SSSR count
199: ok 229 # ring membership passed
199: ok 230 # correct SSSR count
199: ok 231 # ring membership passed
199: ok 232 # correct SSSR count
199: ok 233 # ring membership passed
199: ok 234 # correct SSSR count
199: ok 235 # ring membership passed
199: ok 236 # correct SSSR count
199: ok 237 # ring membership passed
199: ok 238 # correct SSSR count
199: ok 239 # ring membership passed
199: ok 240 # correct SSSR count
199: ok 241 # ring membership passed
199: ok 242 # correct SSSR count
199: ok 243 # ring membership passed
199: ok 244 # correct SSSR count
199: ok 245 # ring membership passed
199: ok 246 # correct SSSR count
199: ok 247 # ring membership passed
199: ok 248 # correct SSSR count
199: ok 249 # ring membership passed
199: ok 250 # correct SSSR count
199: ok 251 # ring membership passed
199: ok 252 # correct ring bond data
199: ok 253 # correct ring bond data
199: ok 254 # correct ring bond data
199: ok 255 # correct ring bond data
199: ok 256 # correct ring bond data
199: ok 257 # correct ring bond data
199: ok 258 # correct ring bond data
199: ok 259 # correct ring bond data
199: ok 260 # correct ring bond data
199: ok 261 # correct ring bond data
199: ok 262 # correct ring bond data
199: ok 263 # correct ring bond data
199: ok 264 # correct ring bond data
199: ok 265 # correct ring bond data
199: ok 266 # correct ring bond data
199: ok 267 # correct ring bond data
199: ok 268 # correct ring bond data
199: ok 269 # correct ring bond data
199: ok 270 # correct ring bond data
199: ok 271 # correct ring bond data
199: ok 272 # correct ring bond data
199: ok 273 # correct ring bond data
199: ok 274 # correct ring bond data
199: ok 275 # correct ring bond data
199: ok 276 # correct ring bond data
199: ok 277 # SSSR size matches reference
199: ok 278 # correct SSSR count
199: ok 279 # ring membership passed
199: ok 280 # correct SSSR count
199: ok 281 # ring membership passed
199: ok 282 # correct SSSR count
199: ok 283 # ring membership passed
199: ok 284 # correct SSSR count
199: ok 285 # ring membership passed
199: ok 286 # correct SSSR count
199: ok 287 # ring membership passed
199: ok 288 # correct SSSR count
199: ok 289 # ring membership passed
199: ok 290 # correct SSSR count
199: ok 291 # ring membership passed
199: ok 292 # correct SSSR count
199: ok 293 # ring membership passed
199: ok 294 # correct SSSR count
199: ok 295 # ring membership passed
199: ok 296 # correct SSSR count
199: ok 297 # ring membership passed
199: ok 298 # correct SSSR count
199: ok 299 # ring membership passed
199: ok 300 # correct SSSR count
199: ok 301 # ring membership passed
199: ok 302 # correct SSSR count
199: ok 303 # ring membership passed
199: ok 304 # correct SSSR count
199: ok 305 # ring membership passed
199: ok 306 # correct SSSR count
199: ok 307 # ring membership passed
199: ok 308 # correct SSSR count
199: ok 309 # ring membership passed
199: ok 310 # correct SSSR count
199: ok 311 # ring membership passed
199: ok 312 # correct SSSR count
199: ok 313 # ring membership passed
199: ok 314 # correct SSSR count
199: ok 315 # ring membership passed
199: ok 316 # correct SSSR count
199: ok 317 # ring membership passed
199: ok 318 # correct SSSR count
199: ok 319 # ring membership passed
199: ok 320 # correct SSSR count
199: ok 321 # ring membership passed
199: ok 322 # correct SSSR count
199: ok 323 # ring membership passed
199: ok 324 # correct ring bond data
199: ok 325 # correct ring bond data
199: ok 326 # correct ring bond data
199: ok 327 # correct ring bond data
199: ok 328 # correct ring bond data
199: ok 329 # correct ring bond data
199: ok 330 # correct ring bond data
199: ok 331 # SSSR size matches reference
199: ok 332 # correct SSSR count
199: ok 333 # ring membership passed
199: ok 334 # correct SSSR count
199: ok 335 # ring membership passed
199: ok 336 # correct SSSR count
199: ok 337 # ring membership passed
199: ok 338 # correct SSSR count
199: ok 339 # ring membership passed
199: ok 340 # correct SSSR count
199: ok 341 # ring membership passed
199: ok 342 # correct SSSR count
199: ok 343 # ring membership passed
199: ok 344 # correct SSSR count
199: ok 345 # ring membership passed
199: ok 346 # correct SSSR count
199: ok 347 # ring membership passed
199: ok 348 # correct ring bond data
199: ok 349 # correct ring bond data
199: ok 350 # correct ring bond data
199: ok 351 # correct ring bond data
199: ok 352 # correct ring bond data
199: ok 353 # correct ring bond data
199: ok 354 # correct ring bond data
199: ok 355 # correct ring bond data
199: ok 356 # correct ring bond data
199: ok 357 # correct ring bond data
199: ok 358 # correct ring bond data
199: ok 359 # correct ring bond data
199: ok 360 # correct ring bond data
199: ok 361 # correct ring bond data
199: ok 362 # correct ring bond data
199: ok 363 # correct ring bond data
199: ok 364 # correct ring bond data
199: ok 365 # correct ring bond data
199: ok 366 # correct ring bond data
199: ok 367 # correct ring bond data
199: ok 368 # correct ring bond data
199: ok 369 # correct ring bond data
199: ok 370 # correct ring bond data
199: ok 371 # SSSR size matches reference
199: ok 372 # correct SSSR count
199: ok 373 # ring membership passed
199: ok 374 # correct SSSR count
199: ok 375 # ring membership passed
199: ok 376 # correct SSSR count
199: ok 377 # ring membership passed
199: ok 378 # correct SSSR count
199: ok 379 # ring membership passed
199: ok 380 # correct SSSR count
199: ok 381 # ring membership passed
199: ok 382 # correct SSSR count
199: ok 383 # ring membership passed
199: ok 384 # correct SSSR count
199: ok 385 # ring membership passed
199: ok 386 # correct SSSR count
199: ok 387 # ring membership passed
199: ok 388 # correct SSSR count
199: ok 389 # ring membership passed
199: ok 390 # correct SSSR count
199: ok 391 # ring membership passed
199: ok 392 # correct SSSR count
199: ok 393 # ring membership passed
199: ok 394 # correct SSSR count
199: ok 395 # ring membership passed
199: ok 396 # correct SSSR count
199: ok 397 # ring membership passed
199: ok 398 # correct SSSR count
199: ok 399 # ring membership passed
199: ok 400 # correct SSSR count
199: ok 401 # ring membership passed
199: ok 402 # correct SSSR count
199: ok 403 # ring membership passed
199: ok 404 # correct SSSR count
199: ok 405 # ring membership passed
199: ok 406 # correct SSSR count
199: ok 407 # ring membership passed
199: ok 408 # correct SSSR count
199: ok 409 # ring membership passed
199: ok 410 # correct SSSR count
199: ok 411 # ring membership passed
199: ok 412 # correct SSSR count
199: ok 413 # ring membership passed
199: ok 414 # correct ring bond data
199: ok 415 # correct ring bond data
199: ok 416 # correct ring bond data
199: ok 417 # correct ring bond data
199: ok 418 # correct ring bond data
199: ok 419 # correct ring bond data
199: ok 420 # correct ring bond data
199: ok 421 # correct ring bond data
199: ok 422 # correct ring bond data
199: ok 423 # correct ring bond data
199: ok 424 # SSSR size matches reference
199: ok 425 # correct SSSR count
199: ok 426 # ring membership passed
199: ok 427 # correct SSSR count
199: ok 428 # ring membership passed
199: ok 429 # correct SSSR count
199: ok 430 # ring membership passed
199: ok 431 # correct SSSR count
199: ok 432 # ring membership passed
199: ok 433 # correct SSSR count
199: ok 434 # ring membership passed
199: ok 435 # correct SSSR count
199: ok 436 # ring membership passed
199: ok 437 # correct SSSR count
199: ok 438 # ring membership passed
199: ok 439 # correct SSSR count
199: ok 440 # ring membership passed
199: ok 441 # correct SSSR count
199: ok 442 # ring membership passed
199: ok 443 # correct SSSR count
199: ok 444 # ring membership passed
199: ok 445 # correct ring bond data
199: ok 446 # correct ring bond data
199: ok 447 # correct ring bond data
199: ok 448 # correct ring bond data
199: ok 449 # correct ring bond data
199: ok 450 # correct ring bond data
199: ok 451 # correct ring bond data
199: ok 452 # correct ring bond data
199: ok 453 # correct ring bond data
199: ok 454 # correct ring bond data
199: ok 455 # correct ring bond data
199: ok 456 # correct ring bond data
199: ok 457 # correct ring bond data
199: ok 458 # correct ring bond data
199: ok 459 # SSSR size matches reference
199: ok 460 # correct SSSR count
199: ok 461 # ring membership passed
199: ok 462 # correct SSSR count
199: ok 463 # ring membership passed
199: ok 464 # correct SSSR count
199: ok 465 # ring membership passed
199: ok 466 # correct SSSR count
199: ok 467 # ring membership passed
199: ok 468 # correct SSSR count
199: ok 469 # ring membership passed
199: ok 470 # correct SSSR count
199: ok 471 # ring membership passed
199: ok 472 # correct SSSR count
199: ok 473 # ring membership passed
199: ok 474 # correct SSSR count
199: ok 475 # ring membership passed
199: ok 476 # correct SSSR count
199: ok 477 # ring membership passed
199: ok 478 # correct SSSR count
199: ok 479 # ring membership passed
199: ok 480 # correct SSSR count
199: ok 481 # ring membership passed
199: ok 482 # correct SSSR count
199: ok 483 # ring membership passed
199: ok 484 # correct SSSR count
199: ok 485 # ring membership passed
199: ok 486 # correct ring bond data
199: ok 487 # correct ring bond data
199: ok 488 # correct ring bond data
199: ok 489 # correct ring bond data
199: ok 490 # correct ring bond data
199: ok 491 # correct ring bond data
199: ok 492 # correct ring bond data
199: ok 493 # correct ring bond data
199: ok 494 # correct ring bond data
199: ok 495 # correct ring bond data
199: ok 496 # correct ring bond data
199: ok 497 # correct ring bond data
199: ok 498 # correct ring bond data
199: ok 499 # correct ring bond data
199: ok 500 # correct ring bond data
199: ok 501 # correct ring bond data
199: ok 502 # SSSR size matches reference
199: ok 503 # correct SSSR count
199: ok 504 # ring membership passed
199: ok 505 # correct SSSR count
199: ok 506 # ring membership passed
199: ok 507 # correct SSSR count
199: ok 508 # ring membership passed
199: ok 509 # correct SSSR count
199: ok 510 # ring membership passed
199: ok 511 # correct SSSR count
199: ok 512 # ring membership passed
199: ok 513 # correct SSSR count
199: ok 514 # ring membership passed
199: ok 515 # correct SSSR count
199: ok 516 # ring membership passed
199: ok 517 # correct SSSR count
199: ok 518 # ring membership passed
199: ok 519 # correct SSSR count
199: ok 520 # ring membership passed
199: ok 521 # correct SSSR count
199: ok 522 # ring membership passed
199: ok 523 # correct SSSR count
199: ok 524 # ring membership passed
199: ok 525 # correct SSSR count
199: ok 526 # ring membership passed
199: ok 527 # correct SSSR count
199: ok 528 # ring membership passed
199: ok 529 # correct SSSR count
199: ok 530 # ring membership passed
199: ok 531 # correct SSSR count
199: ok 532 # ring membership passed
199: ok 533 # correct ring bond data
199: ok 534 # correct ring bond data
199: ok 535 # correct ring bond data
199: ok 536 # correct ring bond data
199: ok 537 # correct ring bond data
199: ok 538 # correct ring bond data
199: ok 539 # correct ring bond data
199: ok 540 # correct ring bond data
199: ok 541 # correct ring bond data
199: ok 542 # correct ring bond data
199: ok 543 # correct ring bond data
199: ok 544 # correct ring bond data
199: ok 545 # correct ring bond data
199: ok 546 # correct ring bond data
199: ok 547 # correct ring bond data
199: ok 548 # SSSR size matches reference
199: ok 549 # correct SSSR count
199: ok 550 # ring membership passed
199: ok 551 # correct SSSR count
199: ok 552 # ring membership passed
199: ok 553 # correct SSSR count
199: ok 554 # ring membership passed
199: ok 555 # correct SSSR count
199: ok 556 # ring membership passed
199: ok 557 # correct SSSR count
199: ok 558 # ring membership passed
199: ok 559 # correct SSSR count
199: ok 560 # ring membership passed
199: ok 561 # correct SSSR count
199: ok 562 # ring membership passed
199: ok 563 # correct SSSR count
199: ok 564 # ring membership passed
199: ok 565 # correct SSSR count
199: ok 566 # ring membership passed
199: ok 567 # correct SSSR count
199: ok 568 # ring membership passed
199: ok 569 # correct SSSR count
199: ok 570 # ring membership passed
199: ok 571 # correct SSSR count
199: ok 572 # ring membership passed
199: ok 573 # correct SSSR count
199: ok 574 # ring membership passed
199: ok 575 # correct SSSR count
199: ok 576 # ring membership passed
199: ok 577 # correct ring bond data
199: ok 578 # correct ring bond data
199: ok 579 # correct ring bond data
199: ok 580 # correct ring bond data
199: ok 581 # correct ring bond data
199: ok 582 # correct ring bond data
199: ok 583 # correct ring bond data
199: ok 584 # correct ring bond data
199: ok 585 # correct ring bond data
199: ok 586 # correct ring bond data
199: ok 587 # correct ring bond data
199: ok 588 # correct ring bond data
199: ok 589 # correct ring bond data
199: ok 590 # correct ring bond data
199: ok 591 # correct ring bond data
199: ok 592 # correct ring bond data
199: ok 593 # SSSR size matches reference
199: ok 594 # correct SSSR count
199: ok 595 # ring membership passed
199: ok 596 # correct SSSR count
199: ok 597 # ring membership passed
199: ok 598 # correct SSSR count
199: ok 599 # ring membership passed
199: ok 600 # correct SSSR count
199: ok 601 # ring membership passed
199: ok 602 # correct SSSR count
199: ok 603 # ring membership passed
199: ok 604 # correct SSSR count
199: ok 605 # ring membership passed
199: ok 606 # correct SSSR count
199: ok 607 # ring membership passed
199: ok 608 # correct SSSR count
199: ok 609 # ring membership passed
199: ok 610 # correct SSSR count
199: ok 611 # ring membership passed
199: ok 612 # correct SSSR count
199: ok 613 # ring membership passed
199: ok 614 # correct SSSR count
199: ok 615 # ring membership passed
199: ok 616 # correct SSSR count
199: ok 617 # ring membership passed
199: ok 618 # correct SSSR count
199: ok 619 # ring membership passed
199: ok 620 # correct SSSR count
199: ok 621 # ring membership passed
199: ok 622 # correct SSSR count
199: ok 623 # ring membership passed
199: ok 624 # correct ring bond data
199: ok 625 # correct ring bond data
199: ok 626 # correct ring bond data
199: ok 627 # correct ring bond data
199: ok 628 # correct ring bond data
199: ok 629 # correct ring bond data
199: ok 630 # correct ring bond data
199: ok 631 # correct ring bond data
199: ok 632 # correct ring bond data
199: ok 633 # correct ring bond data
199: ok 634 # correct ring bond data
199: ok 635 # correct ring bond data
199: ok 636 # correct ring bond data
199: ok 637 # correct ring bond data
199: ok 638 # correct ring bond data
199: ok 639 # correct ring bond data
199: ok 640 # correct ring bond data
199: ok 641 # SSSR size matches reference
199: ok 642 # correct SSSR count
199: ok 643 # ring membership passed
199: ok 644 # correct SSSR count
199: ok 645 # ring membership passed
199: ok 646 # correct SSSR count
199: ok 647 # ring membership passed
199: ok 648 # correct SSSR count
199: ok 649 # ring membership passed
199: ok 650 # correct SSSR count
199: ok 651 # ring membership passed
199: ok 652 # correct SSSR count
199: ok 653 # ring membership passed
199: ok 654 # correct SSSR count
199: ok 655 # ring membership passed
199: ok 656 # correct SSSR count
199: ok 657 # ring membership passed
199: ok 658 # correct SSSR count
199: ok 659 # ring membership passed
199: ok 660 # correct SSSR count
199: ok 661 # ring membership passed
199: ok 662 # correct SSSR count
199: ok 663 # ring membership passed
199: ok 664 # correct SSSR count
199: ok 665 # ring membership passed
199: ok 666 # correct SSSR count
199: ok 667 # ring membership passed
199: ok 668 # correct SSSR count
199: ok 669 # ring membership passed
199: ok 670 # correct SSSR count
199: ok 671 # ring membership passed
199: ok 672 # correct SSSR count
199: ok 673 # ring membership passed
199: ok 674 # correct ring bond data
199: ok 675 # correct ring bond data
199: ok 676 # correct ring bond data
199: ok 677 # correct ring bond data
199: ok 678 # correct ring bond data
199: ok 679 # correct ring bond data
199: ok 680 # correct ring bond data
199: ok 681 # correct ring bond data
199: ok 682 # correct ring bond data
199: ok 683 # correct ring bond data
199: ok 684 # correct ring bond data
199: ok 685 # correct ring bond data
199: ok 686 # correct ring bond data
199: ok 687 # correct ring bond data
199: ok 688 # correct ring bond data
199: ok 689 # correct ring bond data
199: ok 690 # correct ring bond data
199: ok 691 # correct ring bond data
199: ok 692 # correct ring bond data
199: ok 693 # SSSR size matches reference
199: ok 694 # correct SSSR count
199: ok 695 # ring membership passed
199: ok 696 # correct SSSR count
199: ok 697 # ring membership passed
199: ok 698 # correct SSSR count
199: ok 699 # ring membership passed
199: ok 700 # correct SSSR count
199: ok 701 # ring membership passed
199: ok 702 # correct SSSR count
199: ok 703 # ring membership passed
199: ok 704 # correct SSSR count
199: ok 705 # ring membership passed
199: ok 706 # correct SSSR count
199: ok 707 # ring membership passed
199: ok 708 # correct SSSR count
199: ok 709 # ring membership passed
199: ok 710 # correct SSSR count
199: ok 711 # ring membership passed
199: ok 712 # correct SSSR count
199: ok 713 # ring membership passed
199: ok 714 # correct SSSR count
199: ok 715 # ring membership passed
199: ok 716 # correct SSSR count
199: ok 717 # ring membership passed
199: ok 718 # correct SSSR count
199: ok 719 # ring membership passed
199: ok 720 # correct SSSR count
199: ok 721 # ring membership passed
199: ok 722 # correct SSSR count
199: ok 723 # ring membership passed
199: ok 724 # correct SSSR count
199: ok 725 # ring membership passed
199: ok 726 # correct SSSR count
199: ok 727 # ring membership passed
199: ok 728 # correct SSSR count
199: ok 729 # ring membership passed
199: ok 730 # correct ring bond data
199: ok 731 # correct ring bond data
199: ok 732 # correct ring bond data
199: ok 733 # correct ring bond data
199: ok 734 # correct ring bond data
199: ok 735 # correct ring bond data
199: ok 736 # correct ring bond data
199: ok 737 # correct ring bond data
199: ok 738 # correct ring bond data
199: ok 739 # correct ring bond data
199: ok 740 # correct ring bond data
199: ok 741 # correct ring bond data
199: ok 742 # correct ring bond data
199: ok 743 # correct ring bond data
199: ok 744 # correct ring bond data
199: ok 745 # correct ring bond data
199: ok 746 # SSSR size matches reference
199: ok 747 # correct SSSR count
199: ok 748 # ring membership passed
199: ok 749 # correct SSSR count
199: ok 750 # ring membership passed
199: ok 751 # correct SSSR count
199: ok 752 # ring membership passed
199: ok 753 # correct SSSR count
199: ok 754 # ring membership passed
199: ok 755 # correct SSSR count
199: ok 756 # ring membership passed
199: ok 757 # correct SSSR count
199: ok 758 # ring membership passed
199: ok 759 # correct SSSR count
199: ok 760 # ring membership passed
199: ok 761 # correct SSSR count
199: ok 762 # ring membership passed
199: ok 763 # correct SSSR count
199: ok 764 # ring membership passed
199: ok 765 # correct SSSR count
199: ok 766 # ring membership passed
199: ok 767 # correct SSSR count
199: ok 768 # ring membership passed
199: ok 769 # correct SSSR count
199: ok 770 # ring membership passed
199: ok 771 # correct SSSR count
199: ok 772 # ring membership passed
199: ok 773 # correct SSSR count
199: ok 774 # ring membership passed
199: ok 775 # correct SSSR count
199: ok 776 # ring membership passed
199: ok 777 # correct ring bond data
199: ok 778 # correct ring bond data
199: ok 779 # correct ring bond data
199: ok 780 # correct ring bond data
199: ok 781 # correct ring bond data
199: ok 782 # correct ring bond data
199: ok 783 # correct ring bond data
199: ok 784 # correct ring bond data
199: ok 785 # correct ring bond data
199: ok 786 # correct ring bond data
199: ok 787 # correct ring bond data
199: ok 788 # correct ring bond data
199: ok 789 # correct ring bond data
199: ok 790 # correct ring bond data
199: ok 791 # correct ring bond data
199: ok 792 # correct ring bond data
199: ok 793 # correct ring bond data
199: ok 794 # SSSR size matches reference
199: ok 795 # correct SSSR count
199: ok 796 # ring membership passed
199: ok 797 # correct SSSR count
199: ok 798 # ring membership passed
199: ok 799 # correct SSSR count
199: ok 800 # ring membership passed
199: ok 801 # correct SSSR count
199: ok 802 # ring membership passed
199: ok 803 # correct SSSR count
199: ok 804 # ring membership passed
199: ok 805 # correct SSSR count
199: ok 806 # ring membership passed
199: ok 807 # correct SSSR count
199: ok 808 # ring membership passed
199: ok 809 # correct SSSR count
199: ok 810 # ring membership passed
199: ok 811 # correct SSSR count
199: ok 812 # ring membership passed
199: ok 813 # correct SSSR count
199: ok 814 # ring membership passed
199: ok 815 # correct SSSR count
199: ok 816 # ring membership passed
199: ok 817 # correct SSSR count
199: ok 818 # ring membership passed
199: ok 819 # correct SSSR count
199: ok 820 # ring membership passed
199: ok 821 # correct SSSR count
199: ok 822 # ring membership passed
199: ok 823 # correct SSSR count
199: ok 824 # ring membership passed
199: ok 825 # correct SSSR count
199: ok 826 # ring membership passed
199: ok 827 # correct ring bond data
199: ok 828 # correct ring bond data
199: ok 829 # correct ring bond data
199: ok 830 # correct ring bond data
199: ok 831 # correct ring bond data
199: ok 832 # correct ring bond data
199: ok 833 # correct ring bond data
199: ok 834 # correct ring bond data
199: ok 835 # correct ring bond data
199: ok 836 # correct ring bond data
199: ok 837 # correct ring bond data
199: ok 838 # correct ring bond data
199: ok 839 # correct ring bond data
199: ok 840 # correct ring bond data
199: ok 841 # correct ring bond data
199: ok 842 # correct ring bond data
199: ok 843 # correct ring bond data
199: ok 844 # correct ring bond data
199: ok 845 # correct ring bond data
199: ok 846 # correct ring bond data
199: ok 847 # correct ring bond data
199: ok 848 # correct ring bond data
199: ok 849 # SSSR size matches reference
199: ok 850 # correct SSSR count
199: ok 851 # ring membership passed
199: ok 852 # correct SSSR count
199: ok 853 # ring membership passed
199: ok 854 # correct SSSR count
199: ok 855 # ring membership passed
199: ok 856 # correct SSSR count
199: ok 857 # ring membership passed
199: ok 858 # correct SSSR count
199: ok 859 # ring membership passed
199: ok 860 # correct SSSR count
199: ok 861 # ring membership passed
199: ok 862 # correct SSSR count
199: ok 863 # ring membership passed
199: ok 864 # correct SSSR count
199: ok 865 # ring membership passed
199: ok 866 # correct SSSR count
199: ok 867 # ring membership passed
199: ok 868 # correct SSSR count
199: ok 869 # ring membership passed
199: ok 870 # correct SSSR count
199: ok 871 # ring membership passed
199: ok 872 # correct SSSR count
199: ok 873 # ring membership passed
199: ok 874 # correct SSSR count
199: ok 875 # ring membership passed
199: ok 876 # correct SSSR count
199: ok 877 # ring membership passed
199: ok 878 # correct SSSR count
199: ok 879 # ring membership passed
199: ok 880 # correct SSSR count
199: ok 881 # ring membership passed
199: ok 882 # correct SSSR count
199: ok 883 # ring membership passed
199: ok 884 # correct SSSR count
199: ok 885 # ring membership passed
199: ok 886 # correct SSSR count
199: ok 887 # ring membership passed
199: ok 888 # correct SSSR count
199: ok 889 # ring membership passed
199: ok 890 # correct ring bond data
199: ok 891 # correct ring bond data
199: ok 892 # correct ring bond data
199: ok 893 # correct ring bond data
199: ok 894 # correct ring bond data
199: ok 895 # correct ring bond data
199: ok 896 # correct ring bond data
199: ok 897 # correct ring bond data
199: ok 898 # correct ring bond data
199: ok 899 # correct ring bond data
199: ok 900 # correct ring bond data
199: ok 901 # correct ring bond data
199: ok 902 # correct ring bond data
199: ok 903 # correct ring bond data
199: ok 904 # correct ring bond data
199: ok 905 # correct ring bond data
199: ok 906 # correct ring bond data
199: ok 907 # correct ring bond data
199: ok 908 # correct ring bond data
199: ok 909 # correct ring bond data
199: ok 910 # correct ring bond data
199: ok 911 # correct ring bond data
199: ok 912 # correct ring bond data
199: ok 913 # SSSR size matches reference
199: ok 914 # correct SSSR count
199: ok 915 # ring membership passed
199: ok 916 # correct SSSR count
199: ok 917 # ring membership passed
199: ok 918 # correct SSSR count
199: ok 919 # ring membership passed
199: ok 920 # correct SSSR count
199: ok 921 # ring membership passed
199: ok 922 # correct SSSR count
199: ok 923 # ring membership passed
199: ok 924 # correct SSSR count
199: ok 925 # ring membership passed
199: ok 926 # correct SSSR count
199: ok 927 # ring membership passed
199: ok 928 # correct SSSR count
199: ok 929 # ring membership passed
199: ok 930 # correct SSSR count
199: ok 931 # ring membership passed
199: ok 932 # correct SSSR count
199: ok 933 # ring membership passed
199: ok 934 # correct SSSR count
199: ok 935 # ring membership passed
199: ok 936 # correct SSSR count
199: ok 937 # ring membership passed
199: ok 938 # correct SSSR count
199: ok 939 # ring membership passed
199: ok 940 # correct SSSR count
199: ok 941 # ring membership passed
199: ok 942 # correct SSSR count
199: ok 943 # ring membership passed
199: ok 944 # correct SSSR count
199: ok 945 # ring membership passed
199: ok 946 # correct SSSR count
199: ok 947 # ring membership passed
199: ok 948 # correct SSSR count
199: ok 949 # ring membership passed
199: ok 950 # correct SSSR count
199: ok 951 # ring membership passed
199: ok 952 # correct SSSR count
199: ok 953 # ring membership passed
199: ok 954 # correct SSSR count
199: ok 955 # ring membership passed
199: ok 956 # correct ring bond data
199: ok 957 # correct ring bond data
199: ok 958 # correct ring bond data
199: ok 959 # correct ring bond data
199: ok 960 # correct ring bond data
199: ok 961 # correct ring bond data
199: ok 962 # correct ring bond data
199: ok 963 # correct ring bond data
199: ok 964 # correct ring bond data
199: ok 965 # correct ring bond data
199: ok 966 # correct ring bond data
199: ok 967 # correct ring bond data
199: ok 968 # correct ring bond data
199: ok 969 # correct ring bond data
199: ok 970 # correct ring bond data
199: ok 971 # correct ring bond data
199: ok 972 # correct ring bond data
199: ok 973 # correct ring bond data
199: ok 974 # correct ring bond data
199: ok 975 # correct ring bond data
199: ok 976 # correct ring bond data
199: ok 977 # correct ring bond data
199: ok 978 # correct ring bond data
199: ok 979 # SSSR size matches reference
199: ok 980 # correct SSSR count
199: ok 981 # ring membership passed
199: ok 982 # correct SSSR count
199: ok 983 # ring membership passed
199: ok 984 # correct SSSR count
199: ok 985 # ring membership passed
199: ok 986 # correct SSSR count
199: ok 987 # ring membership passed
199: ok 988 # correct SSSR count
199: ok 989 # ring membership passed
199: ok 990 # correct SSSR count
199: ok 991 # ring membership passed
199: ok 992 # correct SSSR count
199: ok 993 # ring membership passed
199: ok 994 # correct SSSR count
199: ok 995 # ring membership passed
199: ok 996 # correct SSSR count
199: ok 997 # ring membership passed
199: ok 998 # correct SSSR count
199: ok 999 # ring membership passed
199: ok 1000 # correct SSSR count
199: ok 1001 # ring membership passed
199: ok 1002 # correct SSSR count
199: ok 1003 # ring membership passed
199: ok 1004 # correct SSSR count
199: ok 1005 # ring membership passed
199: ok 1006 # correct SSSR count
199: ok 1007 # ring membership passed
199: ok 1008 # correct SSSR count
199: ok 1009 # ring membership passed
199: ok 1010 # correct SSSR count
199: ok 1011 # ring membership passed
199: ok 1012 # correct SSSR count
199: ok 1013 # ring membership passed
199: ok 1014 # correct SSSR count
199: ok 1015 # ring membership passed
199: ok 1016 # correct SSSR count
199: ok 1017 # ring membership passed
199: ok 1018 # correct SSSR count
199: ok 1019 # ring membership passed
199: ok 1020 # correct SSSR count
199: ok 1021 # ring membership passed
199: ok 1022 # correct ring bond data
199: ok 1023 # correct ring bond data
199: ok 1024 # correct ring bond data
199: ok 1025 # correct ring bond data
199: ok 1026 # correct ring bond data
199: ok 1027 # correct ring bond data
199: ok 1028 # correct ring bond data
199: ok 1029 # correct ring bond data
199: ok 1030 # correct ring bond data
199: ok 1031 # correct ring bond data
199: ok 1032 # correct ring bond data
199: ok 1033 # correct ring bond data
199: ok 1034 # correct ring bond data
199: ok 1035 # correct ring bond data
199: ok 1036 # correct ring bond data
199: ok 1037 # correct ring bond data
199: ok 1038 # correct ring bond data
199: ok 1039 # correct ring bond data
199: ok 1040 # correct ring bond data
199: ok 1041 # correct ring bond data
199: ok 1042 # correct ring bond data
199: ok 1043 # correct ring bond data
199: ok 1044 # correct ring bond data
199: ok 1045 # SSSR size matches reference
199: ok 1046 # correct SSSR count
199: ok 1047 # ring membership passed
199: ok 1048 # correct SSSR count
199: ok 1049 # ring membership passed
199: ok 1050 # correct SSSR count
199: ok 1051 # ring membership passed
199: ok 1052 # correct SSSR count
199: ok 1053 # ring membership passed
199: ok 1054 # correct SSSR count
199: ok 1055 # ring membership passed
199: ok 1056 # correct SSSR count
199: ok 1057 # ring membership passed
199: ok 1058 # correct SSSR count
199: ok 1059 # ring membership passed
199: ok 1060 # correct SSSR count
199: ok 1061 # ring membership passed
199: ok 1062 # correct SSSR count
199: ok 1063 # ring membership passed
199: ok 1064 # correct SSSR count
199: ok 1065 # ring membership passed
199: ok 1066 # correct SSSR count
199: ok 1067 # ring membership passed
199: ok 1068 # correct SSSR count
199: ok 1069 # ring membership passed
199: ok 1070 # correct SSSR count
199: ok 1071 # ring membership passed
199: ok 1072 # correct SSSR count
199: ok 1073 # ring membership passed
199: ok 1074 # correct SSSR count
199: ok 1075 # ring membership passed
199: ok 1076 # correct SSSR count
199: ok 1077 # ring membership passed
199: ok 1078 # correct SSSR count
199: ok 1079 # ring membership passed
199: ok 1080 # correct SSSR count
199: ok 1081 # ring membership passed
199: ok 1082 # correct SSSR count
199: ok 1083 # ring membership passed
199: ok 1084 # correct SSSR count
199: ok 1085 # ring membership passed
199: ok 1086 # correct SSSR count
199: ok 1087 # ring membership passed
199: ok 1088 # correct ring bond data
199: ok 1089 # correct ring bond data
199: ok 1090 # correct ring bond data
199: ok 1091 # correct ring bond data
199: ok 1092 # correct ring bond data
199: ok 1093 # correct ring bond data
199: ok 1094 # correct ring bond data
199: ok 1095 # correct ring bond data
199: ok 1096 # correct ring bond data
199: ok 1097 # correct ring bond data
199: ok 1098 # correct ring bond data
199: ok 1099 # correct ring bond data
199: ok 1100 # correct ring bond data
199: ok 1101 # correct ring bond data
199: ok 1102 # correct ring bond data
199: ok 1103 # correct ring bond data
199: ok 1104 # correct ring bond data
199: ok 1105 # correct ring bond data
199: ok 1106 # SSSR size matches reference
199: ok 1107 # correct SSSR count
199: ok 1108 # ring membership passed
199: ok 1109 # correct SSSR count
199: ok 1110 # ring membership passed
199: ok 1111 # correct SSSR count
199: ok 1112 # ring membership passed
199: ok 1113 # correct SSSR count
199: ok 1114 # ring membership passed
199: ok 1115 # correct SSSR count
199: ok 1116 # ring membership passed
199: ok 1117 # correct SSSR count
199: ok 1118 # ring membership passed
199: ok 1119 # correct SSSR count
199: ok 1120 # ring membership passed
199: ok 1121 # correct SSSR count
199: ok 1122 # ring membership passed
199: ok 1123 # correct SSSR count
199: ok 1124 # ring membership passed
199: ok 1125 # correct SSSR count
199: ok 1126 # ring membership passed
199: ok 1127 # correct SSSR count
199: ok 1128 # ring membership passed
199: ok 1129 # correct SSSR count
199: ok 1130 # ring membership passed
199: ok 1131 # correct SSSR count
199: ok 1132 # ring membership passed
199: ok 1133 # correct SSSR count
199: ok 1134 # ring membership passed
199: ok 1135 # correct SSSR count
199: ok 1136 # ring membership passed
199: ok 1137 # correct SSSR count
199: ok 1138 # ring membership passed
199: ok 1139 # correct ring bond data
199: ok 1140 # correct ring bond data
199: ok 1141 # correct ring bond data
199: ok 1142 # correct ring bond data
199: ok 1143 # correct ring bond data
199: ok 1144 # correct ring bond data
199: ok 1145 # correct ring bond data
199: ok 1146 # correct ring bond data
199: ok 1147 # correct ring bond data
199: ok 1148 # correct ring bond data
199: ok 1149 # correct ring bond data
199: ok 1150 # correct ring bond data
199: ok 1151 # correct ring bond data
199: ok 1152 # correct ring bond data
199: ok 1153 # correct ring bond data
199: ok 1154 # correct ring bond data
199: ok 1155 # correct ring bond data
199: ok 1156 # correct ring bond data
199: ok 1157 # correct ring bond data
199: ok 1158 # correct ring bond data
199: ok 1159 # SSSR size matches reference
199: ok 1160 # correct SSSR count
199: ok 1161 # ring membership passed
199: ok 1162 # correct SSSR count
199: ok 1163 # ring membership passed
199: ok 1164 # correct SSSR count
199: ok 1165 # ring membership passed
199: ok 1166 # correct SSSR count
199: ok 1167 # ring membership passed
199: ok 1168 # correct SSSR count
199: ok 1169 # ring membership passed
199: ok 1170 # correct SSSR count
199: ok 1171 # ring membership passed
199: ok 1172 # correct SSSR count
199: ok 1173 # ring membership passed
199: ok 1174 # correct SSSR count
199: ok 1175 # ring membership passed
199: ok 1176 # correct SSSR count
199: ok 1177 # ring membership passed
199: ok 1178 # correct SSSR count
199: ok 1179 # ring membership passed
199: ok 1180 # correct SSSR count
199: ok 1181 # ring membership passed
199: ok 1182 # correct SSSR count
199: ok 1183 # ring membership passed
199: ok 1184 # correct SSSR count
199: ok 1185 # ring membership passed
199: ok 1186 # correct SSSR count
199: ok 1187 # ring membership passed
199: ok 1188 # correct SSSR count
199: ok 1189 # ring membership passed
199: ok 1190 # correct SSSR count
199: ok 1191 # ring membership passed
199: ok 1192 # correct SSSR count
199: ok 1193 # ring membership passed
199: ok 1194 # correct SSSR count
199: ok 1195 # ring membership passed
199: ok 1196 # correct ring bond data
199: ok 1197 # correct ring bond data
199: ok 1198 # correct ring bond data
199: ok 1199 # correct ring bond data
199: ok 1200 # correct ring bond data
199: ok 1201 # correct ring bond data
199: ok 1202 # correct ring bond data
199: ok 1203 # correct ring bond data
199: ok 1204 # correct ring bond data
199: ok 1205 # correct ring bond data
199: ok 1206 # SSSR size matches reference
199: ok 1207 # correct SSSR count
199: ok 1208 # ring membership passed
199: ok 1209 # correct SSSR count
199: ok 1210 # ring membership passed
199: ok 1211 # correct SSSR count
199: ok 1212 # ring membership passed
199: ok 1213 # correct SSSR count
199: ok 1214 # ring membership passed
199: ok 1215 # correct SSSR count
199: ok 1216 # ring membership passed
199: ok 1217 # correct SSSR count
199: ok 1218 # ring membership passed
199: ok 1219 # correct SSSR count
199: ok 1220 # ring membership passed
199: ok 1221 # correct SSSR count
199: ok 1222 # ring membership passed
199: ok 1223 # correct SSSR count
199: ok 1224 # ring membership passed
199: ok 1225 # correct SSSR count
199: ok 1226 # ring membership passed
199: ok 1227 # correct SSSR count
199: ok 1228 # ring membership passed
199: ok 1229 # correct ring bond data
199: ok 1230 # correct ring bond data
199: ok 1231 # correct ring bond data
199: ok 1232 # correct ring bond data
199: ok 1233 # correct ring bond data
199: ok 1234 # correct ring bond data
199: ok 1235 # correct ring bond data
199: ok 1236 # correct ring bond data
199: ok 1237 # correct ring bond data
199: ok 1238 # correct ring bond data
199: ok 1239 # correct ring bond data
199: ok 1240 # correct ring bond data
199: ok 1241 # correct ring bond data
199: ok 1242 # correct ring bond data
199: ok 1243 # correct ring bond data
199: ok 1244 # correct ring bond data
199: ok 1245 # correct ring bond data
199: ok 1246 # correct ring bond data
199: ok 1247 # correct ring bond data
199: ok 1248 # correct ring bond data
199: ok 1249 # correct ring bond data
199: ok 1250 # correct ring bond data
199: ok 1251 # SSSR size matches reference
199: ok 1252 # correct SSSR count
199: ok 1253 # ring membership passed
199: ok 1254 # correct SSSR count
199: ok 1255 # ring membership passed
199: ok 1256 # correct SSSR count
199: ok 1257 # ring membership passed
199: ok 1258 # correct SSSR count
199: ok 1259 # ring membership passed
199: ok 1260 # correct SSSR count
199: ok 1261 # ring membership passed
199: ok 1262 # correct SSSR count
199: ok 1263 # ring membership passed
199: ok 1264 # correct SSSR count
199: ok 1265 # ring membership passed
199: ok 1266 # correct SSSR count
199: ok 1267 # ring membership passed
199: ok 1268 # correct SSSR count
199: ok 1269 # ring membership passed
199: ok 1270 # correct SSSR count
199: ok 1271 # ring membership passed
199: ok 1272 # correct SSSR count
199: ok 1273 # ring membership passed
199: ok 1274 # correct SSSR count
199: ok 1275 # ring membership passed
199: ok 1276 # correct SSSR count
199: ok 1277 # ring membership passed
199: ok 1278 # correct SSSR count
199: ok 1279 # ring membership passed
199: ok 1280 # correct SSSR count
199: ok 1281 # ring membership passed
199: ok 1282 # correct SSSR count
199: ok 1283 # ring membership passed
199: ok 1284 # correct SSSR count
199: ok 1285 # ring membership passed
199: ok 1286 # correct SSSR count
199: ok 1287 # ring membership passed
199: ok 1288 # correct SSSR count
199: ok 1289 # ring membership passed
199: ok 1290 # correct SSSR count
199: ok 1291 # ring membership passed
199: ok 1292 # correct ring bond data
199: ok 1293 # correct ring bond data
199: ok 1294 # correct ring bond data
199: ok 1295 # correct ring bond data
199: ok 1296 # correct ring bond data
199: ok 1297 # correct ring bond data
199: ok 1298 # correct ring bond data
199: ok 1299 # correct ring bond data
199: ok 1300 # correct ring bond data
199: ok 1301 # correct ring bond data
199: ok 1302 # correct ring bond data
199: ok 1303 # correct ring bond data
199: ok 1304 # correct ring bond data
199: ok 1305 # correct ring bond data
199: ok 1306 # SSSR size matches reference
199: ok 1307 # correct SSSR count
199: ok 1308 # ring membership passed
199: ok 1309 # correct SSSR count
199: ok 1310 # ring membership passed
199: ok 1311 # correct SSSR count
199: ok 1312 # ring membership passed
199: ok 1313 # correct SSSR count
199: ok 1314 # ring membership passed
199: ok 1315 # correct SSSR count
199: ok 1316 # ring membership passed
199: ok 1317 # correct SSSR count
199: ok 1318 # ring membership passed
199: ok 1319 # correct SSSR count
199: ok 1320 # ring membership passed
199: ok 1321 # correct SSSR count
199: ok 1322 # ring membership passed
199: ok 1323 # correct SSSR count
199: ok 1324 # ring membership passed
199: ok 1325 # correct SSSR count
199: ok 1326 # ring membership passed
199: ok 1327 # correct SSSR count
199: ok 1328 # ring membership passed
199: ok 1329 # correct SSSR count
199: ok 1330 # ring membership passed
199: ok 1331 # correct SSSR count
199: ok 1332 # ring membership passed
199: ok 1333 # correct ring bond data
199: ok 1334 # correct ring bond data
199: ok 1335 # correct ring bond data
199: ok 1336 # correct ring bond data
199: ok 1337 # correct ring bond data
199: ok 1338 # correct ring bond data
199: ok 1339 # correct ring bond data
199: ok 1340 # correct ring bond data
199: ok 1341 # correct ring bond data
199: ok 1342 # correct ring bond data
199: ok 1343 # correct ring bond data
199: ok 1344 # correct ring bond data
199: ok 1345 # correct ring bond data
199: ok 1346 # correct ring bond data
199: ok 1347 # correct ring bond data
199: ok 1348 # correct ring bond data
199: ok 1349 # correct ring bond data
199: ok 1350 # correct ring bond data
199: ok 1351 # correct ring bond data
199: ok 1352 # correct ring bond data
199: ok 1353 # correct ring bond data
199: ok 1354 # correct ring bond data
199: ok 1355 # correct ring bond data
199: ok 1356 # correct ring bond data
199: ok 1357 # SSSR size matches reference
199: ok 1358 # correct SSSR count
199: ok 1359 # ring membership passed
199: ok 1360 # correct SSSR count
199: ok 1361 # ring membership passed
199: ok 1362 # correct SSSR count
199: ok 1363 # ring membership passed
199: ok 1364 # correct SSSR count
199: ok 1365 # ring membership passed
199: ok 1366 # correct SSSR count
199: ok 1367 # ring membership passed
199: ok 1368 # correct SSSR count
199: ok 1369 # ring membership passed
199: ok 1370 # correct SSSR count
199: ok 1371 # ring membership passed
199: ok 1372 # correct SSSR count
199: ok 1373 # ring membership passed
199: ok 1374 # correct SSSR count
199: ok 1375 # ring membership passed
199: ok 1376 # correct SSSR count
199: ok 1377 # ring membership passed
199: ok 1378 # correct SSSR count
199: ok 1379 # ring membership passed
199: ok 1380 # correct SSSR count
199: ok 1381 # ring membership passed
199: ok 1382 # correct SSSR count
199: ok 1383 # ring membership passed
199: ok 1384 # correct SSSR count
199: ok 1385 # ring membership passed
199: ok 1386 # correct SSSR count
199: ok 1387 # ring membership passed
199: ok 1388 # correct SSSR count
199: ok 1389 # ring membership passed
199: ok 1390 # correct SSSR count
199: ok 1391 # ring membership passed
199: ok 1392 # correct SSSR count
199: ok 1393 # ring membership passed
199: ok 1394 # correct SSSR count
199: ok 1395 # ring membership passed
199: ok 1396 # correct SSSR count
199: ok 1397 # ring membership passed
199: ok 1398 # correct SSSR count
199: ok 1399 # ring membership passed
199: ok 1400 # correct SSSR count
199: ok 1401 # ring membership passed
199: ok 1402 # correct ring bond data
199: ok 1403 # correct ring bond data
199: ok 1404 # correct ring bond data
199: ok 1405 # correct ring bond data
199: ok 1406 # correct ring bond data
199: ok 1407 # correct ring bond data
199: ok 1408 # correct ring bond data
199: ok 1409 # correct ring bond data
199: ok 1410 # correct ring bond data
199: ok 1411 # correct ring bond data
199: ok 1412 # correct ring bond data
199: ok 1413 # correct ring bond data
199: ok 1414 # correct ring bond data
199: ok 1415 # correct ring bond data
199: ok 1416 # correct ring bond data
199: ok 1417 # correct ring bond data
199: ok 1418 # correct ring bond data
199: ok 1419 # SSSR size matches reference
199: ok 1420 # correct SSSR count
199: ok 1421 # ring membership passed
199: ok 1422 # correct SSSR count
199: ok 1423 # ring membership passed
199: ok 1424 # correct SSSR count
199: ok 1425 # ring membership passed
199: ok 1426 # correct SSSR count
199: ok 1427 # ring membership passed
199: ok 1428 # correct SSSR count
199: ok 1429 # ring membership passed
199: ok 1430 # correct SSSR count
199: ok 1431 # ring membership passed
199: ok 1432 # correct SSSR count
199: ok 1433 # ring membership passed
199: ok 1434 # correct SSSR count
199: ok 1435 # ring membership passed
199: ok 1436 # correct SSSR count
199: ok 1437 # ring membership passed
199: ok 1438 # correct SSSR count
199: ok 1439 # ring membership passed
199: ok 1440 # correct SSSR count
199: ok 1441 # ring membership passed
199: ok 1442 # correct SSSR count
199: ok 1443 # ring membership passed
199: ok 1444 # correct SSSR count
199: ok 1445 # ring membership passed
199: ok 1446 # correct SSSR count
199: ok 1447 # ring membership passed
199: ok 1448 # correct SSSR count
199: ok 1449 # ring membership passed
199: ok 1450 # correct SSSR count
199: ok 1451 # ring membership passed
199: ok 1452 # correct SSSR count
199: ok 1453 # ring membership passed
199: ok 1454 # correct ring bond data
199: ok 1455 # correct ring bond data
199: ok 1456 # correct ring bond data
199: ok 1457 # correct ring bond data
199: ok 1458 # correct ring bond data
199: ok 1459 # correct ring bond data
199: ok 1460 # correct ring bond data
199: ok 1461 # correct ring bond data
199: ok 1462 # correct ring bond data
199: ok 1463 # correct ring bond data
199: ok 1464 # correct ring bond data
199: ok 1465 # correct ring bond data
199: ok 1466 # correct ring bond data
199: ok 1467 # correct ring bond data
199: ok 1468 # correct ring bond data
199: ok 1469 # correct ring bond data
199: ok 1470 # SSSR size matches reference
199: ok 1471 # correct SSSR count
199: ok 1472 # ring membership passed
199: ok 1473 # correct SSSR count
199: ok 1474 # ring membership passed
199: ok 1475 # correct SSSR count
199: ok 1476 # ring membership passed
199: ok 1477 # correct SSSR count
199: ok 1478 # ring membership passed
199: ok 1479 # correct SSSR count
199: ok 1480 # ring membership passed
199: ok 1481 # correct SSSR count
199: ok 1482 # ring membership passed
199: ok 1483 # correct SSSR count
199: ok 1484 # ring membership passed
199: ok 1485 # correct SSSR count
199: ok 1486 # ring membership passed
199: ok 1487 # correct SSSR count
199: ok 1488 # ring membership passed
199: ok 1489 # correct SSSR count
199: ok 1490 # ring membership passed
199: ok 1491 # correct SSSR count
199: ok 1492 # ring membership passed
199: ok 1493 # correct SSSR count
199: ok 1494 # ring membership passed
199: ok 1495 # correct SSSR count
199: ok 1496 # ring membership passed
199: ok 1497 # correct SSSR count
199: ok 1498 # ring membership passed
199: ok 1499 # correct SSSR count
199: ok 1500 # ring membership passed
199: ok 1501 # correct ring bond data
199: ok 1502 # correct ring bond data
199: ok 1503 # correct ring bond data
199: ok 1504 # correct ring bond data
199: ok 1505 # correct ring bond data
199: ok 1506 # correct ring bond data
199: ok 1507 # correct ring bond data
199: ok 1508 # correct ring bond data
199: ok 1509 # correct ring bond data
199: ok 1510 # correct ring bond data
199: ok 1511 # correct ring bond data
199: ok 1512 # correct ring bond data
199: ok 1513 # correct ring bond data
199: ok 1514 # correct ring bond data
199: ok 1515 # correct ring bond data
199: ok 1516 # correct ring bond data
199: ok 1517 # correct ring bond data
199: ok 1518 # correct ring bond data
199: ok 1519 # correct ring bond data
199: ok 1520 # SSSR size matches reference
199: ok 1521 # correct SSSR count
199: ok 1522 # ring membership passed
199: ok 1523 # correct SSSR count
199: ok 1524 # ring membership passed
199: ok 1525 # correct SSSR count
199: ok 1526 # ring membership passed
199: ok 1527 # correct SSSR count
199: ok 1528 # ring membership passed
199: ok 1529 # correct SSSR count
199: ok 1530 # ring membership passed
199: ok 1531 # correct SSSR count
199: ok 1532 # ring membership passed
199: ok 1533 # correct SSSR count
199: ok 1534 # ring membership passed
199: ok 1535 # correct SSSR count
199: ok 1536 # ring membership passed
199: ok 1537 # correct SSSR count
199: ok 1538 # ring membership passed
199: ok 1539 # correct SSSR count
199: ok 1540 # ring membership passed
199: ok 1541 # correct SSSR count
199: ok 1542 # ring membership passed
199: ok 1543 # correct SSSR count
199: ok 1544 # ring membership passed
199: ok 1545 # correct SSSR count
199: ok 1546 # ring membership passed
199: ok 1547 # correct SSSR count
199: ok 1548 # ring membership passed
199: ok 1549 # correct SSSR count
199: ok 1550 # ring membership passed
199: ok 1551 # correct SSSR count
199: ok 1552 # ring membership passed
199: ok 1553 # correct SSSR count
199: ok 1554 # ring membership passed
199: ok 1555 # correct SSSR count
199: ok 1556 # ring membership passed
199: ok 1557 # correct ring bond data
199: ok 1558 # correct ring bond data
199: ok 1559 # correct ring bond data
199: ok 1560 # correct ring bond data
199: ok 1561 # correct ring bond data
199: ok 1562 # correct ring bond data
199: ok 1563 # correct ring bond data
199: ok 1564 # correct ring bond data
199: ok 1565 # correct ring bond data
199: ok 1566 # correct ring bond data
199: ok 1567 # correct ring bond data
199: ok 1568 # SSSR size matches reference
199: ok 1569 # correct SSSR count
199: ok 1570 # ring membership passed
199: ok 1571 # correct SSSR count
199: ok 1572 # ring membership passed
199: ok 1573 # correct SSSR count
199: ok 1574 # ring membership passed
199: ok 1575 # correct SSSR count
199: ok 1576 # ring membership passed
199: ok 1577 # correct SSSR count
199: ok 1578 # ring membership passed
199: ok 1579 # correct SSSR count
199: ok 1580 # ring membership passed
199: ok 1581 # correct SSSR count
199: ok 1582 # ring membership passed
199: ok 1583 # correct SSSR count
199: ok 1584 # ring membership passed
199: ok 1585 # correct SSSR count
199: ok 1586 # ring membership passed
199: ok 1587 # correct SSSR count
199: ok 1588 # ring membership passed
199: ok 1589 # correct SSSR count
199: ok 1590 # ring membership passed
199: ok 1591 # correct SSSR count
199: ok 1592 # ring membership passed
199: ok 1593 # correct ring bond data
199: ok 1594 # correct ring bond data
199: ok 1595 # correct ring bond data
199: ok 1596 # correct ring bond data
199: ok 1597 # correct ring bond data
199: ok 1598 # correct ring bond data
199: ok 1599 # correct ring bond data
199: ok 1600 # correct ring bond data
199: ok 1601 # correct ring bond data
199: ok 1602 # correct ring bond data
199: ok 1603 # correct ring bond data
199: ok 1604 # correct ring bond data
199: ok 1605 # correct ring bond data
199: ok 1606 # correct ring bond data
199: ok 1607 # correct ring bond data
199: ok 1608 # correct ring bond data
199: ok 1609 # correct ring bond data
199: ok 1610 # correct ring bond data
199: ok 1611 # correct ring bond data
199: ok 1612 # SSSR size matches reference
199: ok 1613 # correct SSSR count
199: ok 1614 # ring membership passed
199: ok 1615 # correct SSSR count
199: ok 1616 # ring membership passed
199: ok 1617 # correct SSSR count
199: ok 1618 # ring membership passed
199: ok 1619 # correct SSSR count
199: ok 1620 # ring membership passed
199: ok 1621 # correct SSSR count
199: ok 1622 # ring membership passed
199: ok 1623 # correct SSSR count
199: ok 1624 # ring membership passed
199: ok 1625 # correct SSSR count
199: ok 1626 # ring membership passed
199: ok 1627 # correct SSSR count
199: ok 1628 # ring membership passed
199: ok 1629 # correct SSSR count
199: ok 1630 # ring membership passed
199: ok 1631 # correct SSSR count
199: ok 1632 # ring membership passed
199: ok 1633 # correct SSSR count
199: ok 1634 # ring membership passed
199: ok 1635 # correct SSSR count
199: ok 1636 # ring membership passed
199: ok 1637 # correct SSSR count
199: ok 1638 # ring membership passed
199: ok 1639 # correct SSSR count
199: ok 1640 # ring membership passed
199: ok 1641 # correct SSSR count
199: ok 1642 # ring membership passed
199: ok 1643 # correct SSSR count
199: ok 1644 # ring membership passed
199: ok 1645 # correct SSSR count
199: ok 1646 # ring membership passed
199: ok 1647 # correct SSSR count
199: ok 1648 # ring membership passed
199: ok 1649 # correct SSSR count
199: ok 1650 # ring membership passed
199: ok 1651 # correct ring bond data
199: ok 1652 # correct ring bond data
199: ok 1653 # correct ring bond data
199: ok 1654 # correct ring bond data
199: ok 1655 # correct ring bond data
199: ok 1656 # correct ring bond data
199: ok 1657 # correct ring bond data
199: ok 1658 # correct ring bond data
199: ok 1659 # correct ring bond data
199: ok 1660 # correct ring bond data
199: ok 1661 # correct ring bond data
199: ok 1662 # correct ring bond data
199: ok 1663 # correct ring bond data
199: ok 1664 # correct ring bond data
199: ok 1665 # correct ring bond data
199: ok 1666 # correct ring bond data
199: ok 1667 # correct ring bond data
199: ok 1668 # correct ring bond data
199: ok 1669 # correct ring bond data
199: ok 1670 # SSSR size matches reference
199: ok 1671 # correct SSSR count
199: ok 1672 # ring membership passed
199: ok 1673 # correct SSSR count
199: ok 1674 # ring membership passed
199: ok 1675 # correct SSSR count
199: ok 1676 # ring membership passed
199: ok 1677 # correct SSSR count
199: ok 1678 # ring membership passed
199: ok 1679 # correct SSSR count
199: ok 1680 # ring membership passed
199: ok 1681 # correct SSSR count
199: ok 1682 # ring membership passed
199: ok 1683 # correct SSSR count
199: ok 1684 # ring membership passed
199: ok 1685 # correct SSSR count
199: ok 1686 # ring membership passed
199: ok 1687 # correct SSSR count
199: ok 1688 # ring membership passed
199: ok 1689 # correct SSSR count
199: ok 1690 # ring membership passed
199: ok 1691 # correct SSSR count
199: ok 1692 # ring membership passed
199: ok 1693 # correct SSSR count
199: ok 1694 # ring membership passed
199: ok 1695 # correct SSSR count
199: ok 1696 # ring membership passed
199: ok 1697 # correct SSSR count
199: ok 1698 # ring membership passed
199: ok 1699 # correct SSSR count
199: ok 1700 # ring membership passed
199: ok 1701 # correct SSSR count
199: ok 1702 # ring membership passed
199: ok 1703 # correct SSSR count
199: ok 1704 # ring membership passed
199: ok 1705 # correct SSSR count
199: ok 1706 # ring membership passed
199: ok 1707 # correct SSSR count
199: ok 1708 # ring membership passed
199: ok 1709 # correct ring bond data
199: ok 1710 # correct ring bond data
199: ok 1711 # correct ring bond data
199: ok 1712 # correct ring bond data
199: ok 1713 # correct ring bond data
199: ok 1714 # correct ring bond data
199: ok 1715 # correct ring bond data
199: ok 1716 # correct ring bond data
199: ok 1717 # correct ring bond data
199: ok 1718 # correct ring bond data
199: ok 1719 # correct ring bond data
199: ok 1720 # correct ring bond data
199: ok 1721 # correct ring bond data
199: ok 1722 # correct ring bond data
199: ok 1723 # correct ring bond data
199: ok 1724 # correct ring bond data
199: ok 1725 # correct ring bond data
199: ok 1726 # correct ring bond data
199: ok 1727 # correct ring bond data
199: ok 1728 # correct ring bond data
199: ok 1729 # correct ring bond data
199: ok 1730 # correct ring bond data
199: ok 1731 # correct ring bond data
199: ok 1732 # SSSR size matches reference
199: ok 1733 # correct SSSR count
199: ok 1734 # ring membership passed
199: ok 1735 # correct SSSR count
199: ok 1736 # ring membership passed
199: ok 1737 # correct SSSR count
199: ok 1738 # ring membership passed
199: ok 1739 # correct SSSR count
199: ok 1740 # ring membership passed
199: ok 1741 # correct SSSR count
199: ok 1742 # ring membership passed
199: ok 1743 # correct SSSR count
199: ok 1744 # ring membership passed
199: ok 1745 # correct SSSR count
199: ok 1746 # ring membership passed
199: ok 1747 # correct SSSR count
199: ok 1748 # ring membership passed
199: ok 1749 # correct SSSR count
199: ok 1750 # ring membership passed
199: ok 1751 # correct SSSR count
199: ok 1752 # ring membership passed
199: ok 1753 # correct SSSR count
199: ok 1754 # ring membership passed
199: ok 1755 # correct SSSR count
199: ok 1756 # ring membership passed
199: ok 1757 # correct SSSR count
199: ok 1758 # ring membership passed
199: ok 1759 # correct SSSR count
199: ok 1760 # ring membership passed
199: ok 1761 # correct SSSR count
199: ok 1762 # ring membership passed
199: ok 1763 # correct SSSR count
199: ok 1764 # ring membership passed
199: ok 1765 # correct SSSR count
199: ok 1766 # ring membership passed
199: ok 1767 # correct SSSR count
199: ok 1768 # ring membership passed
199: ok 1769 # correct SSSR count
199: ok 1770 # ring membership passed
199: ok 1771 # correct SSSR count
199: ok 1772 # ring membership passed
199: ok 1773 # correct SSSR count
199: ok 1774 # ring membership passed
199: ok 1775 # correct ring bond data
199: ok 1776 # correct ring bond data
199: ok 1777 # correct ring bond data
199: ok 1778 # correct ring bond data
199: ok 1779 # correct ring bond data
199: ok 1780 # correct ring bond data
199: ok 1781 # correct ring bond data
199: ok 1782 # correct ring bond data
199: ok 1783 # correct ring bond data
199: ok 1784 # correct ring bond data
199: ok 1785 # correct ring bond data
199: ok 1786 # correct ring bond data
199: ok 1787 # correct ring bond data
199: ok 1788 # correct ring bond data
199: ok 1789 # correct ring bond data
199: ok 1790 # correct ring bond data
199: ok 1791 # SSSR size matches reference
199: ok 1792 # correct SSSR count
199: ok 1793 # ring membership passed
199: ok 1794 # correct SSSR count
199: ok 1795 # ring membership passed
199: ok 1796 # correct SSSR count
199: ok 1797 # ring membership passed
199: ok 1798 # correct SSSR count
199: ok 1799 # ring membership passed
199: ok 1800 # correct SSSR count
199: ok 1801 # ring membership passed
199: ok 1802 # correct SSSR count
199: ok 1803 # ring membership passed
199: ok 1804 # correct SSSR count
199: ok 1805 # ring membership passed
199: ok 1806 # correct SSSR count
199: ok 1807 # ring membership passed
199: ok 1808 # correct SSSR count
199: ok 1809 # ring membership passed
199: ok 1810 # correct SSSR count
199: ok 1811 # ring membership passed
199: ok 1812 # correct SSSR count
199: ok 1813 # ring membership passed
199: ok 1814 # correct SSSR count
199: ok 1815 # ring membership passed
199: ok 1816 # correct SSSR count
199: ok 1817 # ring membership passed
199: ok 1818 # correct SSSR count
199: ok 1819 # ring membership passed
199: ok 1820 # correct SSSR count
199: ok 1821 # ring membership passed
199: ok 1822 # correct SSSR count
199: ok 1823 # ring membership passed
199: ok 1824 # correct ring bond data
199: ok 1825 # correct ring bond data
199: ok 1826 # correct ring bond data
199: ok 1827 # correct ring bond data
199: ok 1828 # correct ring bond data
199: ok 1829 # correct ring bond data
199: ok 1830 # correct ring bond data
199: ok 1831 # correct ring bond data
199: ok 1832 # correct ring bond data
199: ok 1833 # correct ring bond data
199: ok 1834 # correct ring bond data
199: ok 1835 # correct ring bond data
199: ok 1836 # correct ring bond data
199: ok 1837 # correct ring bond data
199: ok 1838 # correct ring bond data
199: ok 1839 # correct ring bond data
199: ok 1840 # SSSR size matches reference
199: ok 1841 # correct SSSR count
199: ok 1842 # ring membership passed
199: ok 1843 # correct SSSR count
199: ok 1844 # ring membership passed
199: ok 1845 # correct SSSR count
199: ok 1846 # ring membership passed
199: ok 1847 # correct SSSR count
199: ok 1848 # ring membership passed
199: ok 1849 # correct SSSR count
199: ok 1850 # ring membership passed
199: ok 1851 # correct SSSR count
199: ok 1852 # ring membership passed
199: ok 1853 # correct SSSR count
199: ok 1854 # ring membership passed
199: ok 1855 # correct SSSR count
199: ok 1856 # ring membership passed
199: ok 1857 # correct SSSR count
199: ok 1858 # ring membership passed
199: ok 1859 # correct SSSR count
199: ok 1860 # ring membership passed
199: ok 1861 # correct SSSR count
199: ok 1862 # ring membership passed
199: ok 1863 # correct SSSR count
199: ok 1864 # ring membership passed
199: ok 1865 # correct SSSR count
199: ok 1866 # ring membership passed
199: ok 1867 # correct SSSR count
199: ok 1868 # ring membership passed
199: ok 1869 # correct SSSR count
199: ok 1870 # ring membership passed
199: ok 1871 # correct SSSR count
199: ok 1872 # ring membership passed
199: ok 1873 # correct ring bond data
199: ok 1874 # correct ring bond data
199: ok 1875 # correct ring bond data
199: ok 1876 # correct ring bond data
199: ok 1877 # correct ring bond data
199: ok 1878 # correct ring bond data
199: ok 1879 # correct ring bond data
199: ok 1880 # correct ring bond data
199: ok 1881 # correct ring bond data
199: ok 1882 # correct ring bond data
199: ok 1883 # correct ring bond data
199: ok 1884 # correct ring bond data
199: ok 1885 # correct ring bond data
199: ok 1886 # correct ring bond data
199: ok 1887 # correct ring bond data
199: ok 1888 # correct ring bond data
199: ok 1889 # SSSR size matches reference
199: ok 1890 # correct SSSR count
199: ok 1891 # ring membership passed
199: ok 1892 # correct SSSR count
199: ok 1893 # ring membership passed
199: ok 1894 # correct SSSR count
199: ok 1895 # ring membership passed
199: ok 1896 # correct SSSR count
199: ok 1897 # ring membership passed
199: ok 1898 # correct SSSR count
199: ok 1899 # ring membership passed
199: ok 1900 # correct SSSR count
199: ok 1901 # ring membership passed
199: ok 1902 # correct SSSR count
199: ok 1903 # ring membership passed
199: ok 1904 # correct SSSR count
199: ok 1905 # ring membership passed
199: ok 1906 # correct SSSR count
199: ok 1907 # ring membership passed
199: ok 1908 # correct SSSR count
199: ok 1909 # ring membership passed
199: ok 1910 # correct SSSR count
199: ok 1911 # ring membership passed
199: ok 1912 # correct SSSR count
199: ok 1913 # ring membership passed
199: ok 1914 # correct SSSR count
199: ok 1915 # ring membership passed
199: ok 1916 # correct SSSR count
199: ok 1917 # ring membership passed
199: ok 1918 # correct SSSR count
199: ok 1919 # ring membership passed
199: ok 1920 # correct SSSR count
199: ok 1921 # ring membership passed
199: ok 1922 # correct ring bond data
199: ok 1923 # correct ring bond data
199: ok 1924 # correct ring bond data
199: ok 1925 # correct ring bond data
199: ok 1926 # correct ring bond data
199: ok 1927 # correct ring bond data
199: ok 1928 # correct ring bond data
199: ok 1929 # correct ring bond data
199: ok 1930 # correct ring bond data
199: ok 1931 # correct ring bond data
199: ok 1932 # correct ring bond data
199: ok 1933 # correct ring bond data
199: ok 1934 # correct ring bond data
199: ok 1935 # correct ring bond data
199: ok 1936 # correct ring bond data
199: ok 1937 # correct ring bond data
199: ok 1938 # SSSR size matches reference
199: ok 1939 # correct SSSR count
199: ok 1940 # ring membership passed
199: ok 1941 # correct SSSR count
199: ok 1942 # ring membership passed
199: ok 1943 # correct SSSR count
199: ok 1944 # ring membership passed
199: ok 1945 # correct SSSR count
199: ok 1946 # ring membership passed
199: ok 1947 # correct SSSR count
199: ok 1948 # ring membership passed
199: ok 1949 # correct SSSR count
199: ok 1950 # ring membership passed
199: ok 1951 # correct SSSR count
199: ok 1952 # ring membership passed
199: ok 1953 # correct SSSR count
199: ok 1954 # ring membership passed
199: ok 1955 # correct SSSR count
199: ok 1956 # ring membership passed
199: ok 1957 # correct SSSR count
199: ok 1958 # ring membership passed
199: ok 1959 # correct SSSR count
199: ok 1960 # ring membership passed
199: ok 1961 # correct SSSR count
199: ok 1962 # ring membership passed
199: ok 1963 # correct SSSR count
199: ok 1964 # ring membership passed
199: ok 1965 # correct SSSR count
200: 
200: # Testing SMARTS...  
200: ok 1 # molecule passed tests
200: ok 2 # molecule passed tests
200: ok 3 # molecule passed tests
200: ok 4 # molecule passed tests
200: ok 5 # molecule passed tests
200: ok 6 # molecule passed tests
200: ok 7 # molecule passed tests
200: ok 8 # molecule passed tests
200: ok 9 # molecule passed tests
200: ok 10 # molecule passed tests
200: ok 11 # molecule passed tests
200: ok 12 # molecule passed tests
200: ok 13 # molecule passed tests
200: ok 14 # molecule passed tests
200: ok 15 # molecule passed tests
200: ok 16 # molecule passed tests
200: ok 17 # molecule passed tests
200: ok 18 # molecule passed tests
200: ok 19 # molecule passed tests
200: ok 20 # molecule passed tests
200: ok 21 # molecule passed tests
200: ok 22 # molecule passed tests
200: ok 23 # molecule passed tests
200: ok 24 # molecule passed tests
200: ok 25 # molecule passed tests
200: ok 26 # molecule passed tests
200: ok 27 # molecule passed tests
200: ok 28 # molecule passed tests
200: ok 29 # molecule passed tests
200: ok 30 # molecule passed tests
200: ok 31 # molecule passed tests
200: ok 32 # molecule passed tests
200: ok 33 # molecule passed tests
200: ok 34 # molecule passed tests
200: ok 35 # molecule passed tests
200: ok 36 # molecule passed tests
200: ok 37 # molecule passed tests
200: ok 38 # molecule passed tests
200: ok 39 # molecule passed tests
200: ok 40 # molecule passed tests
200: ok 41 # molecule passed tests
200: ok 42 # molecule passed tests
200: ok 43 # molecule passed tests
200: ok 44 # molecule passed tests
200: ok 45 # molecule passed tests
200: ok 46 # molecule passed tests
200: ok 47 # molecule passed tests
200: ok 48 # molecule passed tests
200: ok 49 # molecule passed tests
200: ok 50 # molecule passed tests
200: ok 51 # molecule passed tests
200: ok 52 # molecule passed tests
200: ok 53 # molecule passed tests
200: ok 54 # molecule passed tests
200: ok 55 # molecule passed tests
200: ok 56 # molecule passed tests
200: ok 57 # molecule passed tests
200: ok 58 # molecule passed tests
200: ok 59 # molecule passed tests
200: ok 60 # molecule passed tests
200: ok 61 # molecule passed tests
200: ok 62 # molecule passed tests
200: ok 63 # molecule passed tests
200: ok 64 # molecule passed tests
200: ok 65 # molecule passed tests
200: ok 66 # molecule passed tests
200: ok 67 # molecule passed tests
200: ok 68 # molecule passed tests
200: ok 69 # molecule passed tests
200: ok 70 # molecule passed tests
200: ok 71 # molecule passed tests
200: ok 72 # molecule passed tests
200: ok 73 # molecule passed tests
200: ok 74 # molecule passed tests
200: ok 75 # molecule passed tests
200: ok 76 # molecule passed tests
200: ok 77 # molecule passed tests
200: ok 78 # molecule passed tests
200: ok 79 # molecule passed tests
200: ok 80 # molecule passed tests
200: ok 81 # molecule passed tests
200: ok 82 # molecule passed tests
200: ok 83 # molecule passed tests
200: ok 84 # molecule passed tests
200: ok 85 # molecule passed tests
200: ok 86 # molecule passed tests
200: ok 87 # molecule passed tests
200: ok 88 # molecule passed tests
200: ok 89 # molecule passed tests
200: ok 90 # molecule passed tests
200: ok 91 # molecule passed tests
200: ok 92 # molecule passed tests
200: ok 93 # molecule passed tests
200: ok 94 # molecule passed tests
200: ok 95 # molecule passed tests
200: ok 96 # molecule passed tests
200: ok 97 # molecule passed tests
200: ok 98 # molecule passed tests
200: ok 99 # molecule passed tests
200: ok 100 # molecule passed tests
200: ok 101 # molecule passed tests
200: ok 102 # molecule passed tests
200: ok 103 # molecule passed tests
200: ok 104 # molecule passed tests
200: ok 105 # molecule passed tests
200: ok 106 # molecule passed tests
200: ok 107 # molecule passed tests
200: ok 108 # molecule passed tests
200: ok 109 # molecule passed tests
200: ok 110 # molecule passed tests
200: ok 111 # molecule passed tests
200: ok 112 # molecule passed tests
200: ok 113 # molecule passed tests
200: ok 114 # molecule passed tests
200: ok 115 # molecule passed tests
200: ok 116 # molecule passed tests
200: ok 117 # molecule passed tests
200: ok 118 # molecule passed tests
200: ok 119 # molecule passed tests
200: ok 120 # molecule passed tests
200: ok 121 # molecule passed tests
200: ok 122 # molecule passed tests
200: ok 123 # molecule passed tests
200: ok 124 # molecule passed tests
200: ok 125 # molecule passed tests
200: ok 126 # molecule passed tests
200: ok 127 # molecule passed tests
200: ok 128 # molecule passed tests
200: ok 129 # molecule passed tests
200: ok 130 # molecule passed tests
200: ok 131 # molecule passed tests
200: ok 132 # molecule passed tests
200: ok 133 # molecule passed tests
200: ok 134 # molecule passed tests
200: ok 135 # molecule passed tests
200: ok 136 # molecule passed tests
200: ok 137 # molecule passed tests
200: ok 138 # molecule passed tests
200: ok 139 # molecule passed tests
200: ok 140 # molecule passed tests
200: ok 141 # molecule passed tests
200: ok 142 # molecule passed tests
200: ok 143 # molecule passed tests
200: ok 144 # molecule passed tests
200: ok 145 # molecule passed tests
200: ok 146 # molecule passed tests
200: ok 147 # molecule passed tests
200: ok 148 # molecule passed tests
200: ok 149 # molecule passed tests
200: ok 150 # molecule passed tests
200: ok 151 # molecule passed tests
200: ok 152 # molecule passed tests
200: ok 153 # molecule passed tests
200: ok 154 # molecule passed tests
200: ok 155 # molecule passed tests
200: ok 156 # molecule passed tests
200: ok 157 # molecule passed tests
200: ok 158 # molecule passed tests
200: ok 159 # molecule passed tests
200: ok 160 # molecule passed tests
200: ok 161 # molecule passed tests
200: ok 162 # molecule passed tests
200: ok 163 # molecule passed tests
200: ok 164 # molecule passed tests
200: ok 165 # molecule passed tests
200: ok 166 # molecule passed tests
200: ok 167 # molecule passed tests
200: ok 168 # molecule passed tests
200: ok 169 # molecule passed tests
200: ok 170 # molecule passed tests
200: ok 171 # molecule passed tests
200: ok 172 # molecule passed tests
200: ok 173 # molecule passed tests
200: ok 174 # molecule passed tests
200: ok 175 # molecule passed tests
200: ok 176 # molecule passed tests
200: ok 177 # molecule passed tests
200: ok 178 # molecule passed tests
200: ok 179 # molecule passed tests
200: ok 180 # molecule passed tests
200: ok 181 # molecule passed tests
200: ok 182 # molecule passed tests
200: ok 183 # molecule passed tests
200: ok 184 # molecule passed tests
200: ok 185 # molecule passed tests
200: ok 186 # molecule passed tests
200: ok 187 # molecule passed tests
200: ok 188 # molecule passed tests
200: ok 189 # molecule passed tests
200: ok 190 # molecule passed tests
200: ok 191 # molecule passed tests
200: ok 192 # molecule passed tests
200: ok 193 # molecule passed tests
200: ok 194 # molecule passed tests
200: ok 195 # molecule passed tests
200: ok 196 # molecule passed tests
200: ok 197 # molecule passed tests
200: ok 198 # molecule passed tests
200: ok 199 # molecule passed tests
200: ok 200 # molecule passed tests
200: ok 201 # molecule passed tests
200: ok 202 # molecule passed tests
200: ok 203 # molecule passed tests
200: ok 204 # molecule passed tests
200: ok 205 # molecule passed tests
200: ok 206 # molecule passed tests
200: ok 207 # molecule passed tests
200: ok 208 # molecule passed tests
200: ok 209 # molecule passed tests
200: ok 210 # molecule passed tests
200: ok 211 # molecule passed tests
200: ok 212 # molecule passed tests
200: ok 213 # molecule passed tests
200: ok 214 # molecule passed tests
200: ok 215 # molecule passed tests
200: ok 216 # molecule passed tests
200: ok 217 # molecule passed tests
200: ok 218 # molecule passed tests
200: ok 219 # molecule passed tests
200: ok 220 # molecule passed tests
200: ok 221 # molecule passed tests
200: ok 222 # molecule passed tests
200: ok 223 # molecule passed tests
200: ok 224 # molecule passed tests
200: ok 225 # molecule passed tests
200: ok 226 # molecule passed tests
200: ok 227 # molecule passed tests
200: ok 228 # molecule passed tests
200: ok 229 # molecule passed tests
200: ok 230 # molecule passed tests
200: ok 231 # molecule passed tests
200: ok 232 # molecule passed tests
200: ok 233 # molecule passed tests
200: ok 234 # molecule passed tests
200: ok 235 # molecule passed tests
200: ok 236 # molecule passed tests
200: ok 237 # molecule passed tests
200: ok 238 # molecule passed tests
200: ok 239 # molecule passed tests
200: ok 240 # molecule passed tests
200: ok 241 # molecule passed tests
200: ok 242 # molecule passed tests
200: ok 243 # molecule passed tests
200: ok 244 # molecule passed tests
200: ok 245 # molecule passed tests
200: ok 246 # molecule passed tests
200: ok 247 # molecule passed tests
200: ok 248 # molecule passed tests
200: ok 249 # molecule passed tests
200: ok 250 # molecule passed tests
200: ok 251 # molecule passed tests
200: ok 252 # molecule passed tests
200: ok 253 # molecule passed tests
200: ok 254 # molecule passed tests
200: ok 255 # molecule passed tests
200: ok 256 # molecule passed tests
200: ok 257 # molecule passed tests
200: ok 258 # molecule passed tests
200: ok 259 # molecule passed tests
200: ok 260 # molecule passed tests
200: ok 261 # molecule passed tests
200: ok 262 # molecule passed tests
200: ok 263 # molecule passed tests
200: ok 264 # molecule passed tests
200: ok 265 # molecule passed tests
200: ok 266 # molecule passed tests
200: ok 267 # molecule passed tests
200: ok 268 # molecule passed tests
200: ok 269 # molecule passed tests
200: ok 270 # molecule passed tests
200: ok 271 # molecule passed tests
200: ok 272 # molecule passed tests
200: 1..272
201: # Testing SMARTS Parsing...  
201: ok 1
201: ok 2
201: ok 3
201: ok 4
201: ok 5
201: ok 6
201: ok 7
201: ok 8
201: ok 9
201: ok 10
201: ok 11
201: ok 12
201: ok 13
201: ok 14
201: ok 15
201: ok 16
201: ok 17
201: ok 18
201: ok 19
201: ok 20
201: ok 21
201: ok 22
201: ok 23
201: ok 24
201: ok 25
201: ok 26
201: ok 27
201: ok 28
201: ok 29
201: ok 30
201: ok 31
201: ok 32
201: ok 33
201: ok 34
201: ok 35
201: ok 36
201: ok 37
201: ok 38
201: ok 39
201: ok 40
201: ok 41
201: ok 42
201: ok 43
201: ok 44
201: ok 45
201: ok 46
201: ok 47
201: ok 48
201: ok 49
201: ok 50
201: ok 51
201: ok 52
201: ok 53
201: ok 54
201: ok 55
201: ok 56
201: ok 57
201: ok 58
201: ok 59
201: ok 60
201: ok 61
201: ok 62
201: ok 63
201: ok 64
201: ok 65
201: ok 66
201: ok 67
201: ok 68
201: ok 69
201: ok 70
201: ok 71
201: ok 72
201: ok 73
201: ok 74
201: ok 75
201: ok 76
201: ok 77
201: ok 78
201: ok 79
201: ok 80
201: ok 81
201: ok 82
201: ok 83
201: ok 84
201: ok 85
201: ok 86
201: ok 87
201: ok 88
201: ok 89
201: ok 90
201: ok 91
201: ok 92
201: ok 93
201: ok 94
201: ok 95
201: ok 96
201: ok 97
201: ok 98
201: ok 99
201: ok 100
201: ok 101
201: ok 102
201: ok 103
201: ok 104
201: ok 105
201: ok 106
201: ok 107
201: ok 108
201: ok 109
201: ok 110
201: ok 111
201: ok 112
201: ok 113
201: ok 114
201: ok 115
201: ok 116
201: ok 117
201: ok 118
201: ok 119
201: ok 120
201: ok 121
201: ok 122
201: ok 123
201: ok 124
201: ok 125
201: ok 126
201: ok 127
201: ok 128
201: ok 129
201: ok 130
201: ok 131
201: ok 132
201: ok 133
201: ok 134
201: ok 135
201: ok 136
201: ok 137
201: ok 138
201: ok 139
201: ok 140
201: ok 141
201: ok 142
201: ok 143
201: ok 144
201: ok 145
201: ok 146
201: ok 147
201: ok 148
201: ok 149
201: ok 150
201: ok 151
201: ok 152
201: ok 153
201: ok 154
201: ok 155
201: ok 156
201: ok 157
201: ok 158
201: ok 159
201: ok 160
201: ok 161
201: ok 162
201: ok 163
201: ok 164
201: ok 165
201: ok 166
201: ok 167
201: ok 168
201: ok 169
201: ok 170
201: ok 171
201: ok 172
201: ok 173
201: ok 174
201: ok 175
201: ok 176
201: ok 177
201: ok 178
201: ok 179
201: ok 180
201: ok 181
201: ok 182
201: ok 183
201: ok 184
201: ok 185
201: ok 186
201: ok 187
201: ok 188
201: ok 189
201: ok 190
201: ok 191
201: ok 192
201: ok 193
201: ok 194
201: ok 195
201: ok 196
201: ok 197
201: ok 198
201: ok 199
201: ok 200
201: ok 201
201: ok 202
201: ok 203
201: ok 204
201: ok 205
201: ok 206
201: ok 207
201: ok 208
201: ok 209
201: ok 210
201: ok 211
201: ok 212
201: ok 213
201: ok 214
201: ok 215
201: ok 216
201: ok 217
201: ok 218
201: ok 219
201: ok 220
201: ok 221
201: ok 222
201: ok 223
201: ok 224
201: ok 225
201: ok 226
201: ok 227
201: ok 228
201: 1..228
202: 
202: # Testing SMILES self-matching using SMARTS...  
202: ok 1 # SMARTS matched the SMILES molecule
202: ok 2 # SMARTS matched the SMILES molecule
202: ok 3 # SMARTS matched the SMILES molecule
202: ok 4 # SMARTS matched the SMILES molecule
202: ok 5 # SMARTS matched the SMILES molecule
202: ok 6 # SMARTS matched the SMILES molecule
202: ok 7 # SMARTS matched the SMILES molecule
202: ok 8 # SMARTS matched the SMILES molecule
202: ok 9 # SMARTS matched the SMILES molecule
202: ok 10 # SMARTS matched the SMILES molecule
202: ok 11 # SMARTS matched the SMILES molecule
202: ok 12 # SMARTS matched the SMILES molecule
202: ok 13 # SMARTS matched the SMILES molecule
202: ok 14 # SMARTS matched the SMILES molecule
202: ok 15 # SMARTS matched the SMILES molecule
202: ok 16 # SMARTS matched the SMILES molecule
202: ok 17 # SMARTS matched the SMILES molecule
202: ok 18 # SMARTS matched the SMILES molecule
202: ok 19 # SMARTS matched the SMILES molecule
202: ok 20 # SMARTS matched the SMILES molecule
202: ok 21 # SMARTS matched the SMILES molecule
202: ok 22 # SMARTS matched the SMILES molecule
202: ok 23 # SMARTS matched the SMILES molecule
202: ok 24 # SMARTS matched the SMILES molecule
202: ok 25 # SMARTS matched the SMILES molecule
202: ok 26 # SMARTS matched the SMILES molecule
202: ok 27 # SMARTS matched the SMILES molecule
202: ok 28 # SMARTS matched the SMILES molecule
202: ok 29 # SMARTS matched the SMILES molecule
202: ok 30 # SMARTS matched the SMILES molecule
202: ok 31 # SMARTS matched the SMILES molecule
202: ok 32 # SMARTS matched the SMILES molecule
202: ok 33 # SMARTS matched the SMILES molecule
202: ok 34 # SMARTS matched the SMILES molecule
202: ok 35 # SMARTS matched the SMILES molecule
202: ok 36 # SMARTS matched the SMILES molecule
202: ok 37 # SMARTS matched the SMILES molecule
202: ok 38 # SMARTS matched the SMILES molecule
202: ok 39 # SMARTS matched the SMILES molecule
202: ok 40 # SMARTS matched the SMILES molecule
202: ok 41 # SMARTS matched the SMILES molecule
202: ok 42 # SMARTS matched the SMILES molecule
202: ok 43 # SMARTS matched the SMILES molecule
202: ok 44 # SMARTS matched the SMILES molecule
202: ok 45 # SMARTS matched the SMILES molecule
202: ok 46 # SMARTS matched the SMILES molecule
202: ok 47 # SMARTS matched the SMILES molecule
202: ok 48 # SMARTS matched the SMILES molecule
202: ok 49 # SMARTS matched the SMILES molecule
202: ok 50 # SMARTS matched the SMILES molecule
202: ok 51 # SMARTS matched the SMILES molecule
202: ok 52 # SMARTS matched the SMILES molecule
202: ok 53 # SMARTS matched the SMILES molecule
202: ok 54 # SMARTS matched the SMILES molecule
202: ok 55 # SMARTS matched the SMILES molecule
202: ok 56 # SMARTS matched the SMILES molecule
202: ok 57 # SMARTS matched the SMILES molecule
202: ok 58 # SMARTS matched the SMILES molecule
202: ok 59 # SMARTS matched the SMILES molecule
202: ok 60 # SMARTS matched the SMILES molecule
202: ok 61 # SMARTS matched the SMILES molecule
202: ok 62 # SMARTS matched the SMILES molecule
202: ok 63 # SMARTS matched the SMILES molecule
202: ok 64 # SMARTS matched the SMILES molecule
202: ok 65 # SMARTS matched the SMILES molecule
202: ok 66 # SMARTS matched the SMILES molecule
202: ok 67 # SMARTS matched the SMILES molecule
202: ok 68 # SMARTS matched the SMILES molecule
202: ok 69 # SMARTS matched the SMILES molecule
202: ok 70 # SMARTS matched the SMILES molecule
202: ok 71 # SMARTS matched the SMILES molecule
202: ok 72 # SMARTS matched the SMILES molecule
202: ok 73 # SMARTS matched the SMILES molecule
202: ok 74 # SMARTS matched the SMILES molecule
202: ok 75 # SMARTS matched the SMILES molecule
202: ok 76 # SMARTS matched the SMILES molecule
202: ok 77 # SMARTS matched the SMILES molecule
202: ok 78 # SMARTS matched the SMILES molecule
202: ok 79 # SMARTS matched the SMILES molecule
202: ok 80 # SMARTS matched the SMILES molecule
202: ok 81 # SMARTS matched the SMILES molecule
202: ok 82 # SMARTS matched the SMILES molecule
202: ok 83 # SMARTS matched the SMILES molecule
202: ok 84 # SMARTS matched the SMILES molecule
202: ok 85 # SMARTS matched the SMILES molecule
202: ok 86 # SMARTS matched the SMILES molecule
202: ok 87 # SMARTS matched the SMILES molecule
202: ok 88 # SMARTS matched the SMILES molecule
202: ok 89 # SMARTS matched the SMILES molecule
202: ok 90 # SMARTS matched the SMILES molecule
202: ok 91 # SMARTS matched the SMILES molecule
202: ok 92 # SMARTS matched the SMILES molecule
202: ok 93 # SMARTS matched the SMILES molecule
202: ok 94 # SMARTS matched the SMILES molecule
202: ok 95 # SMARTS matched the SMILES molecule
202: ok 96 # SMARTS matched the SMILES molecule
202: ok 97 # SMARTS matched the SMILES molecule
202: ok 98 # SMARTS matched the SMILES molecule
202: ok 99 # SMARTS matched the SMILES molecule
202: ok 100 # SMARTS matched the SMILES molecule
202: ok 101 # SMARTS matched the SMILES molecule
202: ok 102 # SMARTS matched the SMILES molecule
202: ok 103 # SMARTS matched the SMILES molecule
202: ok 104 # SMARTS matched the SMILES molecule
202: ok 105 # SMARTS matched the SMILES molecule
202: ok 106 # SMARTS matched the SMILES molecule
202: ok 107 # SMARTS matched the SMILES molecule
202: ok 108 # SMARTS matched the SMILES molecule
202: ok 109 # SMARTS matched the SMILES molecule
202: ok 110 # SMARTS matched the SMILES molecule
202: ok 111 # SMARTS matched the SMILES molecule
202: ok 112 # SMARTS matched the SMILES molecule
202: ok 113 # SMARTS matched the SMILES molecule
202: ok 114 # SMARTS matched the SMILES molecule
202: ok 115 # SMARTS matched the SMILES molecule
202: ok 116 # SMARTS matched the SMILES molecule
202: ok 117 # SMARTS matched the SMILES molecule
202: ok 118 # SMARTS matched the SMILES molecule
202: ok 119 # SMARTS matched the SMILES molecule
202: ok 120 # SMARTS matched the SMILES molecule
202: ok 121 # SMARTS matched the SMILES molecule
202: ok 122 # SMARTS matched the SMILES molecule
202: ok 123 # SMARTS matched the SMILES molecule
202: ok 124 # SMARTS matched the SMILES molecule
202: ok 125 # SMARTS matched the SMILES molecule
202: ok 126 # SMARTS matched the SMILES molecule
202: ok 127 # SMARTS matched the SMILES molecule
202: ok 128 # SMARTS matched the SMILES molecule
202: ok 129 # SMARTS matched the SMILES molecule
202: ok 130 # SMARTS matched the SMILES molecule
202: ok 131 # SMARTS matched the SMILES molecule
202: ok 132 # SMARTS matched the SMILES molecule
202: ok 133 # SMARTS matched the SMILES molecule
202: ok 134 # SMARTS matched the SMILES molecule
202: ok 135 # SMARTS matched the SMILES molecule
202: ok 136 # SMARTS matched the SMILES molecule
202: ok 137 # SMARTS matched the SMILES molecule
202: ok 138 # SMARTS matched the SMILES molecule
202: ok 139 # SMARTS matched the SMILES molecule
202: ok 140 # SMARTS matched the SMILES molecule
202: ok 141 # SMARTS matched the SMILES molecule
202: ok 142 # SMARTS matched the SMILES molecule
202: ok 143 # SMARTS matched the SMILES molecule
202: ok 144 # SMARTS matched the SMILES molecule
202: ok 145 # SMARTS matched the SMILES molecule
202: ok 146 # SMARTS matched the SMILES molecule
202: ok 147 # SMARTS matched the SMILES molecule
202: ok 148 # SMARTS matched the SMILES molecule
202: ok 149 # SMARTS matched the SMILES molecule
202: ok 150 # SMARTS matched the SMILES molecule
202: ok 151 # SMARTS matched the SMILES molecule
202: ok 152 # SMARTS matched the SMILES molecule
202: ok 153 # SMARTS matched the SMILES molecule
202: ok 154 # SMARTS matched the SMILES molecule
202: ok 155 # SMARTS matched the SMILES molecule
202: ok 156 # SMARTS matched the SMILES molecule
202: ok 157 # SMARTS matched the SMILES molecule
202: ok 158 # SMARTS matched the SMILES molecule
202: ok 159 # SMARTS matched the SMILES molecule
202: ok 160 # SMARTS matched the SMILES molecule
202: ok 161 # SMARTS matched the SMILES molecule
202: ok 162 # SMARTS matched the SMILES molecule
202: ok 163 # SMARTS matched the SMILES molecule
202: ok 164 # SMARTS matched the SMILES molecule
202: ok 165 # SMARTS matched the SMILES molecule
202: ok 166 # SMARTS matched the SMILES molecule
202: ok 167 # SMARTS matched the SMILES molecule
202: ok 168 # SMARTS matched the SMILES molecule
202: ok 169 # SMARTS matched the SMILES molecule
202: ok 170 # SMARTS matched the SMILES molecule
202: ok 171 # SMARTS matched the SMILES molecule
202: ok 172 # SMARTS matched the SMILES molecule
202: ok 173 # SMARTS matched the SMILES molecule
202: ok 174 # SMARTS matched the SMILES molecule
202: ok 175 # SMARTS matched the SMILES molecule
202: ok 176 # SMARTS matched the SMILES molecule
202: ok 177 # SMARTS matched the SMILES molecule
202: ok 178 # SMARTS matched the SMILES molecule
202: ok 179 # SMARTS matched the SMILES molecule
202: ok 180 # SMARTS matched the SMILES molecule
202: ok 181 # SMARTS matched the SMILES molecule
202: ok 182 # SMARTS matched the SMILES molecule
202: ok 183 # SMARTS matched the SMILES molecule
202: ok 184 # SMARTS matched the SMILES molecule
202: ok 185 # SMARTS matched the SMILES molecule
202: ok 186 # SMARTS matched the SMILES molecule
202: ok 187 # SMARTS matched the SMILES molecule
202: ok 188 # SMARTS matched the SMILES molecule
202: ok 189 # SMARTS matched the SMILES molecule
202: ok 190 # SMARTS matched the SMILES molecule
202: ok 191 # SMARTS matched the SMILES molecule
202: ok 192 # SMARTS matched the SMILES molecule
202: ok 193 # SMARTS matched the SMILES molecule
202: ok 194 # SMARTS matched the SMILES molecule
202: ok 195 # SMARTS matched the SMILES molecule
202: ok 196 # SMARTS matched the SMILES molecule
202: ok 197 # SMARTS matched the SMILES molecule
202: ok 198 # SMARTS matched the SMILES molecule
202: ok 199 # SMARTS matched the SMILES molecule
202: ok 200 # SMARTS matched the SMILES molecule
202: ok 201 # SMARTS matched the SMILES molecule
202: ok 202 # SMARTS matched the SMILES molecule
202: ok 203 # SMARTS matched the SMILES molecule
202: ok 204 # SMARTS matched the SMILES molecule
202: ok 205 # SMARTS matched the SMILES molecule
202: ok 206 # SMARTS matched the SMILES molecule
202: ok 207 # SMARTS matched the SMILES molecule
202: ok 208 # SMARTS matched the SMILES molecule
202: ok 209 # SMARTS matched the SMILES molecule
202: ok 210 # SMARTS matched the SMILES molecule
202: ok 211 # SMARTS matched the SMILES molecule
202: ok 212 # SMARTS matched the SMILES molecule
202: ok 213 # SMARTS matched the SMILES molecule
202: ok 214 # SMARTS matched the SMILES molecule
202: ok 215 # SMARTS matched the SMILES molecule
202: ok 216 # SMARTS matched the SMILES molecule
202: ok 217 # SMARTS matched the SMILES molecule
202: ok 218 # SMARTS matched the SMILES molecule
202: ok 219 # SMARTS matched the SMILES molecule
202: ok 220 # SMARTS matched the SMILES molecule
202: ok 221 # SMARTS matched the SMILES molecule
202: ok 222 # SMARTS matched the SMILES molecule
202: ok 223 # SMARTS matched the SMILES molecule
202: ok 224 # SMARTS matched the SMILES molecule
202: ok 225 # SMARTS matched the SMILES molecule
202: ok 226 # SMARTS matched the SMILES molecule
202: ok 227 # SMARTS matched the SMILES molecule
202: ok 228 # SMARTS matched the SMILES molecule
202: ok 229 # SMARTS matched the SMILES molecule
202: ok 230 # SMARTS matched the SMILES molecule
202: ok 231 # SMARTS matched the SMILES molecule
202: ok 232 # SMARTS matched the SMILES molecule
202: ok 233 # SMARTS matched the SMILES molecule
202: ok 234 # SMARTS matched the SMILES molecule
202: ok 235 # SMARTS matched the SMILES molecule
202: ok 236 # SMARTS matched the SMILES molecule
202: ok 237 # SMARTS matched the SMILES molecule
202: ok 238 # SMARTS matched the SMILES molecule
202: ok 239 # SMARTS matched the SMILES molecule
202: ok 240 # SMARTS matched the SMILES molecule
202: ok 241 # SMARTS matched the SMILES molecule
202: ok 242 # SMARTS matched the SMILES molecule
202: ok 243 # SMARTS matched the SMILES molecule
202: ok 244 # SMARTS matched the SMILES molecule
202: ok 245 # SMARTS matched the SMILES molecule
202: ok 246 # SMARTS matched the SMILES molecule
202: ok 247 # SMARTS matched the SMILES molecule
202: ok 248 # SMARTS matched the SMILES molecule
202: ok 249 # SMARTS matched the SMILES molecule
202: ok 250 # SMARTS matched the SMILES molecule
202: ok 251 # SMARTS matched the SMILES molecule
202: ok 252 # SMARTS matched the SMILES molecule
202: ok 253 # SMARTS matched the SMILES molecule
202: ok 254 # SMARTS matched the SMILES molecule
202: ok 255 # SMARTS matched the SMILES molecule
202: ok 256 # SMARTS matched the SMILES molecule
202: ok 257 # SMARTS matched the SMILES molecule
202: ok 258 # SMARTS matched the SMILES molecule
202: ok 259 # SMARTS matched the SMILES molecule
202: ok 260 # SMARTS matched the SMILES molecule
202: ok 261 # SMARTS matched the SMILES molecule
202: ok 262 # SMARTS matched the SMILES molecule
202: ok 263 # SMARTS matched the SMILES molecule
202: ok 264 # SMARTS matched the SMILES molecule
202: ok 265 # SMARTS matched the SMILES molecule
202: ok 266 # SMARTS matched the SMILES molecule
202: ok 267 # SMARTS matched the SMILES molecule
202: ok 268 # SMARTS matched the SMILES molecule
202: ok 269 # SMARTS matched the SMILES molecule
202: ok 270 # SMARTS matched the SMILES molecule
202: ok 271 # SMARTS matched the SMILES molecule
202: ok 272 # SMARTS matched the SMILES molecule
202: ok 273 # SMARTS matched the SMILES molecule
202: ok 274 # SMARTS matched the SMILES molecule
202: ok 275 # SMARTS matched the SMILES molecule
202: ok 276 # SMARTS matched the SMILES molecule
202: ok 277 # SMARTS matched the SMILES molecule
202: ok 278 # SMARTS matched the SMILES molecule
202: ok 279 # SMARTS matched the SMILES molecule
202: ok 280 # SMARTS matched the SMILES molecule
202: ok 281 # SMARTS matched the SMILES molecule
202: ok 282 # SMARTS matched the SMILES molecule
202: ok 283 # SMARTS matched the SMILES molecule
202: ok 284 # SMARTS matched the SMILES molecule
202: ok 285 # SMARTS matched the SMILES molecule
202: ok 286 # SMARTS matched the SMILES molecule
202: ok 287 # SMARTS matched the SMILES molecule
202: ok 288 # SMARTS matched the SMILES molecule
202: ok 289 # SMARTS matched the SMILES molecule
202: ok 290 # SMARTS matched the SMILES molecule
202: ok 291 # SMARTS matched the SMILES molecule
202: ok 292 # SMARTS matched the SMILES molecule
202: ok 293 # SMARTS matched the SMILES molecule
202: ok 294 # SMARTS matched the SMILES molecule
202: ok 295 # SMARTS matched the SMILES molecule
202: ok 296 # SMARTS matched the SMILES molecule
202: ok 297 # SMARTS matched the SMILES molecule
202: ok 298 # SMARTS matched the SMILES molecule
202: ok 299 # SMARTS matched the SMILES molecule
202: ok 300 # SMARTS matched the SMILES molecule
202: ok 301 # SMARTS matched the SMILES molecule
202: ok 302 # SMARTS matched the SMILES molecule
202: ok 303 # SMARTS matched the SMILES molecule
202: ok 304 # SMARTS matched the SMILES molecule
202: ok 305 # SMARTS matched the SMILES molecule
202: ok 306 # SMARTS matched the SMILES molecule
202: ok 307 # SMARTS matched the SMILES molecule
202: ok 308 # SMARTS matched the SMILES molecule
202: ok 309 # SMARTS matched the SMILES molecule
202: ok 310 # SMARTS matched the SMILES molecule
202: ok 311 # SMARTS matched the SMILES molecule
202: ok 312 # SMARTS matched the SMILES molecule
202: ok 313 # SMARTS matched the SMILES molecule
202: ok 314 # SMARTS matched the SMILES molecule
202: ok 315 # SMARTS matched the SMILES molecule
202: ok 316 # SMARTS matched the SMILES molecule
202: ok 317 # SMARTS matched the SMILES molecule
202: ok 318 # SMARTS matched the SMILES molecule
202: ok 319 # SMARTS matched the SMILES molecule
202: ok 320 # SMARTS matched the SMILES molecule
202: ok 321 # SMARTS matched the SMILES molecule
202: ok 322 # SMARTS matched the SMILES molecule
202: ok 323 # SMARTS matched the SMILES molecule
202: ok 324 # SMARTS matched the SMILES molecule
202: ok 325 # SMARTS matched the SMILES molecule
202: ok 326 # SMARTS matched the SMILES molecule
202: ok 327 # SMARTS matched the SMILES molecule
202: ok 328 # SMARTS matched the SMILES molecule
202: ok 329 # SMARTS matched the SMILES molecule
202: ok 330 # SMARTS matched the SMILES molecule
202: ok 331 # SMARTS matched the SMILES molecule
202: ok 332 # SMARTS matched the SMILES molecule
202: ok 333 # SMARTS matched the SMILES molecule
202: ok 334 # SMARTS matched the SMILES molecule
202: ok 335 # SMARTS matched the SMILES molecule
202: ok 336 # SMARTS matched the SMILES molecule
202: ok 337 # SMARTS matched the SMILES molecule
202: ok 338 # SMARTS matched the SMILES molecule
202: ok 339 # SMARTS matched the SMILES molecule
202: ok 340 # SMARTS matched the SMILES molecule
202: ok 341 # SMARTS matched the SMILES molecule
202: ok 342 # SMARTS matched the SMILES molecule
202: ok 343 # SMARTS matched the SMILES molecule
202: ok 344 # SMARTS matched the SMILES molecule
202: ok 345 # SMARTS matched the SMILES molecule
202: ok 346 # SMARTS matched the SMILES molecule
202: ok 347 # SMARTS matched the SMILES molecule
202: ok 348 # SMARTS matched the SMILES molecule
202: ok 349 # SMARTS matched the SMILES molecule
202: ok 350 # SMARTS matched the SMILES molecule
202: ok 351 # SMARTS matched the SMILES molecule
202: ok 352 # SMARTS matched the SMILES molecule
202: ok 353 # SMARTS matched the SMILES molecule
202: ok 354 # SMARTS matched the SMILES molecule
202: ok 355 # SMARTS matched the SMILES molecule
202: ok 356 # SMARTS matched the SMILES molecule
202: ok 357 # SMARTS matched the SMILES molecule
202: ok 358 # SMARTS matched the SMILES molecule
202: ok 359 # SMARTS matched the SMILES molecule
202: ok 360 # SMARTS matched the SMILES molecule
202: ok 361 # SMARTS matched the SMILES molecule
202: ok 362 # SMARTS matched the SMILES molecule
202: ok 363 # SMARTS matched the SMILES molecule
202: ok 364 # SMARTS matched the SMILES molecule
202: ok 365 # SMARTS matched the SMILES molecule
202: ok 366 # SMARTS matched the SMILES molecule
202: ok 367 # SMARTS matched the SMILES molecule
202: ok 368 # SMARTS matched the SMILES molecule
202: ok 369 # SMARTS matched the SMILES molecule
202: ok 370 # SMARTS matched the SMILES molecule
202: ok 371 # SMARTS matched the SMILES molecule
202: ok 372 # SMARTS matched the SMILES molecule
202: ok 373 # SMARTS matched the SMILES molecule
202: ok 374 # SMARTS matched the SMILES molecule
202: ok 375 # SMARTS matched the SMILES molecule
202: ok 376 # SMARTS matched the SMILES molecule
202: ok 377 # SMARTS matched the SMILES molecule
202: ok 378 # SMARTS matched the SMILES molecule
202: ok 379 # SMARTS matched the SMILES molecule
202: ok 380 # SMARTS matched the SMILES molecule
202: ok 381 # SMARTS matched the SMILES molecule
202: ok 382 # SMARTS matched the SMILES molecule
202: ok 383 # SMARTS matched the SMILES molecule
202: ok 384 # SMARTS matched the SMILES molecule
202: ok 385 # SMARTS matched the SMILES molecule
202: ok 386 # SMARTS matched the SMILES molecule
202: ok 387 # SMARTS matched the SMILES molecule
202: ok 388 # SMARTS matched the SMILES molecule
202: ok 389 # SMARTS matched the SMILES molecule
202: ok 390 # SMARTS matched the SMILES molecule
202: ok 391 # SMARTS matched the SMILES molecule
202: ok 392 # SMARTS matched the SMILES molecule
202: ok 393 # SMARTS matched the SMILES molecule
202: ok 394 # SMARTS matched the SMILES molecule
202: ok 395 # SMARTS matched the SMILES molecule
202: ok 396 # SMARTS matched the SMILES molecule
202: ok 397 # SMARTS matched the SMILES molecule
202: ok 398 # SMARTS matched the SMILES molecule
202: ok 399 # SMARTS matched the SMILES molecule
202: ok 400 # SMARTS matched the SMILES molecule
202: ok 401 # SMARTS matched the SMILES molecule
202: ok 402 # SMARTS matched the SMILES molecule
202: ok 403 # SMARTS matched the SMILES molecule
202: ok 404 # SMARTS matched the SMILES molecule
202: ok 405 # SMARTS matched the SMILES molecule
202: ok 406 # SMARTS matched the SMILES molecule
202: ok 407 # SMARTS matched the SMILES molecule
202: ok 408 # SMARTS matched the SMILES molecule
202: ok 409 # SMARTS matched the SMILES molecule
202: ok 410 # SMARTS matched the SMILES molecule
202: ok 411 # SMARTS matched the SMILES molecule
202: ok 412 # SMARTS matched the SMILES molecule
202: ok 413 # SMARTS matched the SMILES molecule
202: ok 414 # SMARTS matched the SMILES molecule
202: ok 415 # SMARTS matched the SMILES molecule
202: ok 416 # SMARTS matched the SMILES molecule
202: ok 417 # SMARTS matched the SMILES molecule
202: ok 418 # SMARTS matched the SMILES molecule
202: ok 419 # SMARTS matched the SMILES molecule
202: ok 420 # SMARTS matched the SMILES molecule
202: ok 421 # SMARTS matched the SMILES molecule
202: ok 422 # SMARTS matched the SMILES molecule
202: ok 423 # SMARTS matched the SMILES molecule
202: ok 424 # SMARTS matched the SMILES molecule
202: ok 425 # SMARTS matched the SMILES molecule
202: ok 426 # SMARTS matched the SMILES molecule
202: ok 427 # SMARTS matched the SMILES molecule
202: ok 428 # SMARTS matched the SMILES molecule
202: ok 429 # SMARTS matched the SMILES molecule
202: ok 430 # SMARTS matched the SMILES molecule
202: ok 431 # SMARTS matched the SMILES molecule
202: ok 432 # SMARTS matched the SMILES molecule
202: ok 433 # SMARTS matched the SMILES molecule
202: ok 434 # SMARTS matched the SMILES molecule
202: ok 435 # SMARTS matched the SMILES molecule
202: ok 436 # SMARTS matched the SMILES molecule
202: ok 437 # SMARTS matched the SMILES molecule
202: ok 438 # SMARTS matched the SMILES molecule
202: ok 439 # SMARTS matched the SMILES molecule
202: ok 440 # SMARTS matched the SMILES molecule
202: ok 441 # SMARTS matched the SMILES molecule
202: ok 442 # SMARTS matched the SMILES molecule
202: ok 443 # SMARTS matched the SMILES molecule
202: ok 444 # SMARTS matched the SMILES molecule
202: ok 445 # SMARTS matched the SMILES molecule
202: ok 446 # SMARTS matched the SMILES molecule
202: ok 447 # SMARTS matched the SMILES molecule
202: ok 448 # SMARTS matched the SMILES molecule
202: ok 449 # SMARTS matched the SMILES molecule
202: ok 450 # SMARTS matched the SMILES molecule
202: ok 451 # SMARTS matched the SMILES molecule
202: ok 452 # SMARTS matched the SMILES molecule
202: ok 453 # SMARTS matched the SMILES molecule
202: ok 454 # SMARTS matched the SMILES molecule
202: ok 455 # SMARTS matched the SMILES molecule
202: ok 456 # SMARTS matched the SMILES molecule
202: ok 457 # SMARTS matched the SMILES molecule
202: ok 458 # SMARTS matched the SMILES molecule
202: ok 459 # SMARTS matched the SMILES molecule
202: ok 460 # SMARTS matched the SMILES molecule
202: ok 461 # SMARTS matched the SMILES molecule
202: ok 462 # SMARTS matched the SMILES molecule
202: ok 463 # SMARTS matched the SMILES molecule
202: ok 464 # SMARTS matched the SMILES molecule
202: ok 465 # SMARTS matched the SMILES molecule
202: ok 466 # SMARTS matched the SMILES molecule
202: ok 467 # SMARTS matched the SMILES molecule
202: ok 468 # SMARTS matched the SMILES molecule
202: ok 469 # SMARTS matched the SMILES molecule
202: ok 470 # SMARTS matched the SMILES molecule
202: ok 471 # SMARTS matched the SMILES molecule
202: ok 472 # SMARTS matched the SMILES molecule
202: ok 473 # SMARTS matched the SMILES molecule
202: ok 474 # SMARTS matched the SMILES molecule
202: ok 475 # SMARTS matched the SMILES molecule
202: ok 476 # SMARTS matched the SMILES molecule
202: ok 477 # SMARTS matched the SMILES molecule
202: ok 478 # SMARTS matched the SMILES molecule
202: ok 479 # SMARTS matched the SMILES molecule
202: ok 480 # SMARTS matched the SMILES molecule
202: ok 481 # SMARTS matched the SMILES molecule
202: ok 482 # SMARTS matched the SMILES molecule
202: ok 483 # SMARTS matched the SMILES molecule
202: ok 484 # SMARTS matched the SMILES molecule
202: ok 485 # SMARTS matched the SMILES molecule
202: ok 486 # SMARTS matched the SMILES molecule
202: ok 487 # SMARTS matched the SMILES molecule
202: ok 488 # SMARTS matched the SMILES molecule
202: ok 489 # SMARTS matched the SMILES molecule
202: ok 490 # SMARTS matched the SMILES molecule
202: ok 491 # SMARTS matched the SMILES molecule
202: ok 492 # SMARTS matched the SMILES molecule
202: ok 493 # SMARTS matched the SMILES molecule
202: ok 494 # SMARTS matched the SMILES molecule
202: ok 495 # SMARTS matched the SMILES molecule
202: ok 496 # SMARTS matched the SMILES molecule
202: ok 497 # SMARTS matched the SMILES molecule
202: ok 498 # SMARTS matched the SMILES molecule
202: ok 499 # SMARTS matched the SMILES molecule
202: ok 500 # SMARTS matched the SMILES molecule
202: ok 501 # SMARTS matched the SMILES molecule
202: ok 502 # SMARTS matched the SMILES molecule
202: ok 503 # SMARTS matched the SMILES molecule
202: ok 504 # SMARTS matched the SMILES molecule
202: ok 505 # SMARTS matched the SMILES molecule
202: ok 506 # SMARTS matched the SMILES molecule
202: ok 507 # SMARTS matched the SMILES molecule
202: ok 508 # SMARTS matched the SMILES molecule
202: ok 509 # SMARTS matched the SMILES molecule
202: ok 510 # SMARTS matched the SMILES molecule
202: ok 511 # SMARTS matched the SMILES molecule
202: ok 512 # SMARTS matched the SMILES molecule
202: ok 513 # SMARTS matched the SMILES molecule
202: ok 514 # SMARTS matched the SMILES molecule
202: ok 515 # SMARTS matched the SMILES molecule
202: ok 516 # SMARTS matched the SMILES molecule
202: ok 517 # SMARTS matched the SMILES molecule
202: ok 518 # SMARTS matched the SMILES molecule
202: ok 519 # SMARTS matched the SMILES molecule
202: ok 520 # SMARTS matched the SMILES molecule
202: ok 521 # SMARTS matched the SMILES molecule
202: ok 522 # SMARTS matched the SMILES molecule
202: ok 523 # SMARTS matched the SMILES molecule
202: ok 524 # SMARTS matched the SMILES molecule
202: ok 525 # SMARTS matched the SMILES molecule
202: ok 526 # SMARTS matched the SMILES molecule
202: ok 527 # SMARTS matched the SMILES molecule
202: ok 528 # SMARTS matched the SMILES molecule
202: ok 529 # SMARTS matched the SMILES molecule
202: ok 530 # SMARTS matched the SMILES molecule
202: ok 531 # SMARTS matched the SMILES molecule
202: ok 532 # SMARTS matched the SMILES molecule
202: ok 533 # SMARTS matched the SMILES molecule
202: ok 534 # SMARTS matched the SMILES molecule
202: ok 535 # SMARTS matched the SMILES molecule
202: ok 536 # SMARTS matched the SMILES molecule
202: ok 537 # SMARTS matched the SMILES molecule
202: ok 538 # SMARTS matched the SMILES molecule
202: ok 539 # SMARTS matched the SMILES molecule
202: ok 540 # SMARTS matched the SMILES molecule
202: ok 541 # SMARTS matched the SMILES molecule
202: ok 542 # SMARTS matched the SMILES molecule
202: ok 543 # SMARTS matched the SMILES molecule
202: ok 544 # SMARTS matched the SMILES molecule
202: ok 545 # SMARTS matched the SMILES molecule
202: ok 546 # SMARTS matched the SMILES molecule
202: ok 547 # SMARTS matched the SMILES molecule
202: ok 548 # SMARTS matched the SMILES molecule
202: ok 549 # SMARTS matched the SMILES molecule
202: ok 550 # SMARTS matched the SMILES molecule
202: ok 551 # SMARTS matched the SMILES molecule
202: ok 552 # SMARTS matched the SMILES molecule
202: ok 553 # SMARTS matched the SMILES molecule
202: ok 554 # SMARTS matched the SMILES molecule
202: ok 555 # SMARTS matched the SMILES molecule
202: ok 556 # SMARTS matched the SMILES molecule
202: ok 557 # SMARTS matched the SMILES molecule
202: ok 558 # SMARTS matched the SMILES molecule
202: ok 559 # SMARTS matched the SMILES molecule
202: ok 560 # SMARTS matched the SMILES molecule
202: ok 561 # SMARTS matched the SMILES molecule
202: ok 562 # SMARTS matched the SMILES molecule
202: ok 563 # SMARTS matched the SMILES molecule
202: ok 564 # SMARTS matched the SMILES molecule
202: ok 565 # SMARTS matched the SMILES molecule
202: ok 566 # SMARTS matched the SMILES molecule
202: ok 567 # SMARTS matched the SMILES molecule
202: ok 568 # SMARTS matched the SMILES molecule
202: ok 569 # SMARTS matched the SMILES molecule
202: ok 570 # SMARTS matched the SMILES molecule
202: ok 571 # SMARTS matched the SMILES molecule
202: ok 572 # SMARTS matched the SMILES molecule
202: ok 573 # SMARTS matched the SMILES molecule
202: ok 574 # SMARTS matched the SMILES molecule
202: ok 575 # SMARTS matched the SMILES molecule
202: ok 576 # SMARTS matched the SMILES molecule
202: ok 577 # SMARTS matched the SMILES molecule
202: ok 578 # SMARTS matched the SMILES molecule
202: ok 579 # SMARTS matched the SMILES molecule
202: ok 580 # SMARTS matched the SMILES molecule
202: ok 581 # SMARTS matched the SMILES molecule
202: ok 582 # SMARTS matched the SMILES molecule
202: ok 583 # SMARTS matched the SMILES molecule
202: ok 584 # SMARTS matched the SMILES molecule
202: ok 585 # SMARTS matched the SMILES molecule
202: ok 586 # SMARTS matched the SMILES molecule
202: ok 587 # SMARTS matched the SMILES molecule
202: ok 588 # SMARTS matched the SMILES molecule
202: ok 589 # SMARTS matched the SMILES molecule
202: ok 590 # SMARTS matched the SMILES molecule
202: ok 591 # SMARTS matched the SMILES molecule
202: ok 592 # SMARTS matched the SMILES molecule
202: ok 593 # SMARTS matched the SMILES molecule
202: ok 594 # SMARTS matched the SMILES molecule
202: ok 595 # SMARTS matched the SMILES molecule
202: ok 596 # SMARTS matched the SMILES molecule
202: ok 597 # SMARTS matched the SMILES molecule
202: ok 598 # SMARTS matched the SMILES molecule
202: ok 599 # SMARTS matched the SMILES molecule
202: ok 600 # SMARTS matched the SMILES molecule
202: ok 601 # SMARTS matched the SMILES molecule
202: ok 602 # SMARTS matched the SMILES molecule
202: ok 603 # SMARTS matched the SMILES molecule
202: ok 604 # SMARTS matched the SMILES molecule
202: ok 605 # SMARTS matched the SMILES molecule
202: ok 606 # SMARTS matched the SMILES molecule
202: ok 607 # SMARTS matched the SMILES molecule
202: ok 608 # SMARTS matched the SMILES molecule
202: ok 609 # SMARTS matched the SMILES molecule
202: ok 610 # SMARTS matched the SMILES molecule
202: ok 611 # SMARTS matched the SMILES molecule
202: ok 612 # SMARTS matched the SMILES molecule
202: ok 613 # SMARTS matched the SMILES molecule
202: ok 614 # SMARTS matched the SMILES molecule
202: ok 615 # SMARTS matched the SMILES molecule
202: ok 616 # SMARTS matched the SMILES molecule
202: ok 617 # SMARTS matched the SMILES molecule
202: ok 618 # SMARTS matched the SMILES molecule
202: ok 619 # SMARTS matched the SMILES molecule
202: ok 620 # SMARTS matched the SMILES molecule
202: ok 621 # SMARTS matched the SMILES molecule
202: ok 622 # SMARTS matched the SMILES molecule
202: ok 623 # SMARTS matched the SMILES molecule
202: ok 624 # SMARTS matched the SMILES molecule
202: ok 625 # SMARTS matched the SMILES molecule
202: ok 626 # SMARTS matched the SMILES molecule
202: ok 627 # SMARTS matched the SMILES molecule
202: ok 628 # SMARTS matched the SMILES molecule
202: ok 629 # SMARTS matched the SMILES molecule
202: ok 630 # SMARTS matched the SMILES molecule
202: ok 631 # SMARTS matched the SMILES molecule
202: ok 632 # SMARTS matched the SMILES molecule
202: ok 633 # SMARTS matched the SMILES molecule
202: ok 634 # SMARTS matched the SMILES molecule
202: ok 635 # SMARTS matched the SMILES molecule
202: ok 636 # SMARTS matched the SMILES molecule
202: ok 637 # SMARTS matched the SMILES molecule
202: ok 638 # SMARTS matched the SMILES molecule
202: ok 639 # SMARTS matched the SMILES molecule
202: ok 640 # SMARTS matched the SMILES molecule
202: ok 641 # SMARTS matched the SMILES molecule
202: ok 642 # SMARTS matched the SMILES molecule
202: ok 643 # SMARTS matched the SMILES molecule
202: ok 644 # SMARTS matched the SMILES molecule
202: ok 645 # SMARTS matched the SMILES molecule
202: ok 646 # SMARTS matched the SMILES molecule
202: ok 647 # SMARTS matched the SMILES molecule
202: ok 648 # SMARTS matched the SMILES molecule
202: ok 649 # SMARTS matched the SMILES molecule
202: ok 650 # SMARTS matched the SMILES molecule
202: ok 651 # SMARTS matched the SMILES molecule
202: ok 652 # SMARTS matched the SMILES molecule
202: ok 653 # SMARTS matched the SMILES molecule
202: ok 654 # SMARTS matched the SMILES molecule
202: ok 655 # SMARTS matched the SMILES molecule
202: ok 656 # SMARTS matched the SMILES molecule
202: ok 657 # SMARTS matched the SMILES molecule
202: ok 658 # SMARTS matched the SMILES molecule
202: ok 659 # SMARTS matched the SMILES molecule
202: ok 660 # SMARTS matched the SMILES molecule
202: ok 661 # SMARTS matched the SMILES molecule
202: ok 662 # SMARTS matched the SMILES molecule
202: ok 663 # SMARTS matched the SMILES molecule
202: ok 664 # SMARTS matched the SMILES molecule
202: ok 665 # SMARTS matched the SMILES molecule
202: ok 666 # SMARTS matched the SMILES molecule
202: ok 667 # SMARTS matched the SMILES molecule
202: ok 668 # SMARTS matched the SMILES molecule
202: ok 669 # SMARTS matched the SMILES molecule
202: ok 670 # SMARTS matched the SMILES molecule
202: ok 671 # SMARTS matched the SMILES molecule
202: ok 672 # SMARTS matched the SMILES molecule
202: ok 673 # SMARTS matched the SMILES molecule
202: ok 674 # SMARTS matched the SMILES molecule
202: ok 675 # SMARTS matched the SMILES molecule
202: ok 676 # SMARTS matched the SMILES molecule
202: ok 677 # SMARTS matched the SMILES molecule
202: ok 678 # SMARTS matched the SMILES molecule
202: ok 679 # SMARTS matched the SMILES molecule
202: ok 680 # SMARTS matched the SMILES molecule
202: ok 681 # SMARTS matched the SMILES molecule
202: ok 682 # SMARTS matched the SMILES molecule
202: ok 683 # SMARTS matched the SMILES molecule
202: ok 684 # SMARTS matched the SMILES molecule
202: ok 685 # SMARTS matched the SMILES molecule
202: ok 686 # SMARTS matched the SMILES molecule
202: ok 687 # SMARTS matched the SMILES molecule
202: ok 688 # SMARTS matched the SMILES molecule
202: ok 689 # SMARTS matched the SMILES molecule
202: ok 690 # SMARTS matched the SMILES molecule
202: ok 691 # SMARTS matched the SMILES molecule
202: ok 692 # SMARTS matched the SMILES molecule
202: ok 693 # SMARTS matched the SMILES molecule
202: ok 694 # SMARTS matched the SMILES molecule
202: ok 695 # SMARTS matched the SMILES molecule
202: ok 696 # SMARTS matched the SMILES molecule
202: ok 697 # SMARTS matched the SMILES molecule
202: ok 698 # SMARTS matched the SMILES molecule
202: ok 699 # SMARTS matched the SMILES molecule
202: ok 700 # SMARTS matched the SMILES molecule
202: ok 701 # SMARTS matched the SMILES molecule
202: ok 702 # SMARTS matched the SMILES molecule
202: ok 703 # SMARTS matched the SMILES molecule
202: ok 704 # SMARTS matched the SMILES molecule
202: ok 705 # SMARTS matched the SMILES molecule
202: ok 706 # SMARTS matched the SMILES molecule
202: ok 707 # SMARTS matched the SMILES molecule
202: ok 708 # SMARTS matched the SMILES molecule
202: ok 709 # SMARTS matched the SMILES molecule
202: ok 710 # SMARTS matched the SMILES molecule
202: ok 711 # SMARTS matched the SMILES molecule
202: ok 712 # SMARTS matched the SMILES molecule
202: ok 713 # SMARTS matched the SMILES molecule
202: ok 714 # SMARTS matched the SMILES molecule
202: ok 715 # SMARTS matched the SMILES molecule
202: ok 716 # SMARTS matched the SMILES molecule
202: ok 717 # SMARTS matched the SMILES molecule
202: ok 718 # SMARTS matched the SMILES molecule
202: ok 719 # SMARTS matched the SMILES molecule
202: ok 720 # SMARTS matched the SMILES molecule
202: ok 721 # SMARTS matched the SMILES molecule
202: ok 722 # SMARTS matched the SMILES molecule
202: ok 723 # SMARTS matched the SMILES molecule
202: ok 724 # SMARTS matched the SMILES molecule
202: ok 725 # SMARTS matched the SMILES molecule
202: ok 726 # SMARTS matched the SMILES molecule
202: ok 727 # SMARTS matched the SMILES molecule
202: ok 728 # SMARTS matched the SMILES molecule
202: ok 729 # SMARTS matched the SMILES molecule
202: ok 730 # SMARTS matched the SMILES molecule
202: ok 731 # SMARTS matched the SMILES molecule
202: ok 732 # SMARTS matched the SMILES molecule
202: ok 733 # SMARTS matched the SMILES molecule
202: ok 734 # SMARTS matched the SMILES molecule
202: ok 735 # SMARTS matched the SMILES molecule
202: ok 736 # SMARTS matched the SMILES molecule
202: ok 737 # SMARTS matched the SMILES molecule
202: ok 738 # SMARTS matched the SMILES molecule
202: ok 739 # SMARTS matched the SMILES molecule
202: ok 740 # SMARTS matched the SMILES molecule
202: ok 741 # SMARTS matched the SMILES molecule
202: ok 742 # SMARTS matched the SMILES molecule
202: ok 743 # SMARTS matched the SMILES molecule
202: ok 744 # SMARTS matched the SMILES molecule
202: ok 745 # SMARTS matched the SMILES molecule
202: ok 746 # SMARTS matched the SMILES molecule
202: ok 747 # SMARTS matched the SMILES molecule
202: ok 748 # SMARTS matched the SMILES molecule
202: ok 749 # SMARTS matched the SMILES molecule
202: ok 750 # SMARTS matched the SMILES molecule
202: ok 751 # SMARTS matched the SMILES molecule
202: ok 752 # SMARTS matched the SMILES molecule
202: ok 753 # SMARTS matched the SMILES molecule
202: ok 754 # SMARTS matched the SMILES molecule
202: ok 755 # SMARTS matched the SMILES molecule
202: ok 756 # SMARTS matched the SMILES molecule
202: ok 757 # SMARTS matched the SMILES molecule
202: ok 758 # SMARTS matched the SMILES molecule
202: ok 759 # SMARTS matched the SMILES molecule
202: ok 760 # SMARTS matched the SMILES molecule
202: ok 761 # SMARTS matched the SMILES molecule
202: ok 762 # SMARTS matched the SMILES molecule
202: ok 763 # SMARTS matched the SMILES molecule
202: ok 764 # SMARTS matched the SMILES molecule
202: ok 765 # SMARTS matched the SMILES molecule
202: ok 766 # SMARTS matched the SMILES molecule
202: ok 767 # SMARTS matched the SMILES molecule
202: ok 768 # SMARTS matched the SMILES molecule
202: ok 769 # SMARTS matched the SMILES molecule
202: ok 770 # SMARTS matched the SMILES molecule
202: ok 771 # SMARTS matched the SMILES molecule
202: ok 772 # SMARTS matched the SMILES molecule
202: ok 773 # SMARTS matched the SMILES molecule
202: ok 774 # SMARTS matched the SMILES molecule
202: ok 775 # SMARTS matched the SMILES molecule
202: ok 776 # SMARTS matched the SMILES molecule
202: ok 777 # SMARTS matched the SMILES molecule
202: ok 778 # SMARTS matched the SMILES molecule
202: ok 779 # SMARTS matched the SMILES molecule
202: ok 780 # SMARTS matched the SMILES molecule
202: ok 781 # SMARTS matched the SMILES molecule
202: ok 782 # SMARTS matched the SMILES molecule
202: ok 783 # SMARTS matched the SMILES molecule
202: ok 784 # SMARTS matched the SMILES molecule
202: ok 785 # SMARTS matched the SMILES molecule
202: ok 786 # SMARTS matched the SMILES molecule
202: ok 787 # SMARTS matched the SMILES molecule
202: ok 788 # SMARTS matched the SMILES molecule
202: ok 789 # SMARTS matched the SMILES molecule
202: ok 790 # SMARTS matched the SMILES molecule
202: ok 791 # SMARTS matched the SMILES molecule
202: ok 792 # SMARTS matched the SMILES molecule
202: ok 793 # SMARTS matched the SMILES molecule
202: ok 794 # SMARTS matched the SMILES molecule
202: ok 795 # SMARTS matched the SMILES molecule
202: ok 796 # SMARTS matched the SMILES molecule
202: ok 797 # SMARTS matched the SMILES molecule
202: ok 798 # SMARTS matched the SMILES molecule
202: ok 799 # SMARTS matched the SMILES molecule
202: ok 800 # SMARTS matched the SMILES molecule
202: ok 801 # SMARTS matched the SMILES molecule
202: ok 802 # SMARTS matched the SMILES molecule
202: ok 803 # SMARTS matched the SMILES molecule
202: ok 804 # SMARTS matched the SMILES molecule
202: ok 805 # SMARTS matched the SMILES molecule
202: ok 806 # SMARTS matched the SMILES molecule
202: ok 807 # SMARTS matched the SMILES molecule
202: ok 808 # SMARTS matched the SMILES molecule
202: ok 809 # SMARTS matched the SMILES molecule
202: ok 810 # SMARTS matched the SMILES molecule
202: ok 811 # SMARTS matched the SMILES molecule
202: ok 812 # SMARTS matched the SMILES molecule
202: ok 813 # SMARTS matched the SMILES molecule
202: ok 814 # SMARTS matched the SMILES molecule
202: ok 815 # SMARTS matched the SMILES molecule
202: ok 816 # SMARTS matched the SMILES molecule
202: ok 817 # SMARTS matched the SMILES molecule
202: ok 818 # SMARTS matched the SMILES molecule
202: ok 819 # SMARTS matched the SMILES molecule
202: ok 820 # SMARTS matched the SMILES molecule
202: ok 821 # SMARTS matched the SMILES molecule
202: ok 822 # SMARTS matched the SMILES molecule
202: ok 823 # SMARTS matched the SMILES molecule
202: ok 824 # SMARTS matched the SMILES molecule
202: ok 825 # SMARTS matched the SMILES molecule
202: ok 826 # SMARTS matched the SMILES molecule
202: ok 827 # SMARTS matched the SMILES molecule
202: ok 828 # SMARTS matched the SMILES molecule
202: ok 829 # SMARTS matched the SMILES molecule
202: ok 830 # SMARTS matched the SMILES molecule
202: ok 831 # SMARTS matched the SMILES molecule
202: ok 832 # SMARTS matched the SMILES molecule
202: ok 833 # SMARTS matched the SMILES molecule
202: ok 834 # SMARTS matched the SMILES molecule
202: ok 835 # SMARTS matched the SMILES molecule
202: ok 836 # SMARTS matched the SMILES molecule
202: ok 837 # SMARTS matched the SMILES molecule
202: ok 838 # SMARTS matched the SMILES molecule
202: ok 839 # SMARTS matched the SMILES molecule
202: ok 840 # SMARTS matched the SMILES molecule
202: ok 841 # SMARTS matched the SMILES molecule
202: ok 842 # SMARTS matched the SMILES molecule
202: ok 843 # SMARTS matched the SMILES molecule
202: ok 844 # SMARTS matched the SMILES molecule
202: ok 845 # SMARTS matched the SMILES molecule
202: ok 846 # SMARTS matched the SMILES molecule
202: ok 847 # SMARTS matched the SMILES molecule
202: ok 848 # SMARTS matched the SMILES molecule
202: ok 849 # SMARTS matched the SMILES molecule
202: ok 850 # SMARTS matched the SMILES molecule
202: ok 851 # SMARTS matched the SMILES molecule
202: ok 852 # SMARTS matched the SMILES molecule
202: ok 853 # SMARTS matched the SMILES molecule
202: ok 854 # SMARTS matched the SMILES molecule
202: ok 855 # SMARTS matched the SMILES molecule
202: ok 856 # SMARTS matched the SMILES molecule
202: ok 857 # SMARTS matched the SMILES molecule
202: ok 858 # SMARTS matched the SMILES molecule
202: ok 859 # SMARTS matched the SMILES molecule
202: ok 860 # SMARTS matched the SMILES molecule
202: ok 861 # SMARTS matched the SMILES molecule
202: ok 862 # SMARTS matched the SMILES molecule
202: ok 863 # SMARTS matched the SMILES molecule
202: ok 864 # SMARTS matched the SMILES molecule
202: ok 865 # SMARTS matched the SMILES molecule
202: ok 866 # SMARTS matched the SMILES molecule
202: ok 867 # SMARTS matched the SMILES molecule
202: ok 868 # SMARTS matched the SMILES molecule
202: ok 869 # SMARTS matched the SMILES molecule
202: ok 870 # SMARTS matched the SMILES molecule
202: ok 871 # SMARTS matched the SMILES molecule
202: ok 872 # SMARTS matched the SMILES molecule
202: ok 873 # SMARTS matched the SMILES molecule
202: ok 874 # SMARTS matched the SMILES molecule
202: ok 875 # SMARTS matched the SMILES molecule
202: ok 876 # SMARTS matched the SMILES molecule
202: ok 877 # SMARTS matched the SMILES molecule
202: ok 878 # SMARTS matched the SMILES molecule
202: ok 879 # SMARTS matched the SMILES molecule
202: ok 880 # SMARTS matched the SMILES molecule
202: ok 881 # SMARTS matched the SMILES molecule
202: ok 882 # SMARTS matched the SMILES molecule
202: ok 883 # SMARTS matched the SMILES molecule
202: ok 884 # SMARTS matched the SMILES molecule
202: ok 885 # SMARTS matched the SMILES molecule
202: ok 886 # SMARTS matched the SMILES molecule
202: ok 887 # SMARTS matched the SMILES molecule
202: ok 888 # SMARTS matched the SMILES molecule
202: ok 889 # SMARTS matched the SMILES molecule
202: ok 890 # SMARTS matched the SMILES molecule
202: ok 891 # SMARTS matched the SMILES molecule
202: ok 892 # SMARTS matched the SMILES molecule
202: ok 893 # SMARTS matched the SMILES molecule
202: ok 894 # SMARTS matched the SMILES molecule
202: ok 895 # SMARTS matched the SMILES molecule
202: ok 896 # SMARTS matched the SMILES molecule
202: ok 897 # SMARTS matched the SMILES molecule
202: ok 898 # SMARTS matched the SMILES molecule
202: ok 899 # SMARTS matched the SMILES molecule
202: ok 900 # SMARTS matched the SMILES molecule
202: ok 901 # SMARTS matched the SMILES molecule
202: ok 902 # SMARTS matched the SMILES molecule
202: ok 903 # SMARTS matched the SMILES molecule
202: ok 904 # SMARTS matched the SMILES molecule
202: ok 905 # SMARTS matched the SMILES molecule
202: ok 906 # SMARTS matched the SMILES molecule
202: ok 907 # SMARTS matched the SMILES molecule
202: ok 908 # SMARTS matched the SMILES molecule
202: ok 909 # SMARTS matched the SMILES molecule
202: ok 910 # SMARTS matched the SMILES molecule
202: ok 911 # SMARTS matched the SMILES molecule
202: ok 912 # SMARTS matched the SMILES molecule
202: ok 913 # SMARTS matched the SMILES molecule
202: ok 914 # SMARTS matched the SMILES molecule
202: ok 915 # SMARTS matched the SMILES molecule
202: ok 916 # SMARTS matched the SMILES molecule
202: ok 917 # SMARTS matched the SMILES molecule
202: ok 918 # SMARTS matched the SMILES molecule
202: ok 919 # SMARTS matched the SMILES molecule
202: ok 920 # SMARTS matched the SMILES molecule
202: ok 921 # SMARTS matched the SMILES molecule
202: ok 922 # SMARTS matched the SMILES molecule
202: ok 923 # SMARTS matched the SMILES molecule
202: ok 924 # SMARTS matched the SMILES molecule
202: ok 925 # SMARTS matched the SMILES molecule
202: ok 926 # SMARTS matched the SMILES molecule
202: ok 927 # SMARTS matched the SMILES molecule
202: ok 928 # SMARTS matched the SMILES molecule
202: ok 929 # SMARTS matched the SMILES molecule
202: ok 930 # SMARTS matched the SMILES molecule
202: ok 931 # SMARTS matched the SMILES molecule
202: ok 932 # SMARTS matched the SMILES molecule
202: ok 933 # SMARTS matched the SMILES molecule
202: ok 934 # SMARTS matched the SMILES molecule
202: ok 935 # SMARTS matched the SMILES molecule
202: ok 936 # SMARTS matched the SMILES molecule
202: ok 937 # SMARTS matched the SMILES molecule
202: ok 938 # SMARTS matched the SMILES molecule
202: ok 939 # SMARTS matched the SMILES molecule
202: ok 940 # SMARTS matched the SMILES molecule
202: ok 941 # SMARTS matched the SMILES molecule
202: ok 942 # SMARTS matched the SMILES molecule
202: ok 943 # SMARTS matched the SMILES molecule
202: ok 944 # SMARTS matched the SMILES molecule
202: ok 945 # SMARTS matched the SMILES molecule
202: ok 946 # SMARTS matched the SMILES molecule
202: ok 947 # SMARTS matched the SMILES molecule
202: ok 948 # SMARTS matched the SMILES molecule
202: ok 949 # SMARTS matched the SMILES molecule
202: ok 950 # SMARTS matched the SMILES molecule
202: ok 951 # SMARTS matched the SMILES molecule
202: ok 952 # SMARTS matched the SMILES molecule
202: ok 953 # SMARTS matched the SMILES molecule
202: ok 954 # SMARTS matched the SMILES molecule
202: ok 955 # SMARTS matched the SMILES molecule
202: ok 956 # SMARTS matched the SMILES molecule
202: ok 957 # SMARTS matched the SMILES molecule
202: ok 958 # SMARTS matched the SMILES molecule
202: ok 959 # SMARTS matched the SMILES molecule
202: ok 960 # SMARTS matched the SMILES molecule
202: ok 961 # SMARTS matched the SMILES molecule
202: ok 962 # SMARTS matched the SMILES molecule
202: ok 963 # SMARTS matched the SMILES molecule
202: ok 964 # SMARTS matched the SMILES molecule
202: ok 965 # SMARTS matched the SMILES molecule
202: ok 966 # SMARTS matched the SMILES molecule
202: ok 967 # SMARTS matched the SMILES molecule
202: ok 968 # SMARTS matched the SMILES molecule
202: ok 969 # SMARTS matched the SMILES molecule
202: ok 970 # SMARTS matched the SMILES molecule
202: ok 971 # SMARTS matched the SMILES molecule
202: ok 972 # SMARTS matched the SMILES molecule
202: ok 973 # SMARTS matched the SMILES molecule
202: ok 974 # SMARTS matched the SMILES molecule
202: ok 975 # SMARTS matched the SMILES molecule
202: ok 976 # SMARTS matched the SMILES molecule
202: ok 977 # SMARTS matched the SMILES molecule
202: ok 978 # SMARTS matched the SMILES molecule
202: ok 979 # SMARTS matched the SMILES molecule
202: ok 980 # SMARTS matched the SMILES molecule
202: ok 981 # SMARTS matched the SMILES molecule
202: ok 982 # SMARTS matched the SMILES molecule
202: ok 983 # SMARTS matched the SMILES molecule
202: ok 984 # SMARTS matched the SMILES molecule
202: ok 985 # SMARTS matched the SMILES molecule
202: ok 986 # SMARTS matched the SMILES molecule
202: ok 987 # SMARTS matched the SMILES molecule
202: ok 988 # SMARTS matched the SMILES molecule
202: ok 989 # SMARTS matched the SMILES molecule
202: ok 990 # SMARTS matched the SMILES molecule
202: ok 991 # SMARTS matched the SMILES molecule
202: ok 992 # SMARTS matched the SMILES molecule
202: ok 993 # SMARTS matched the SMILES molecule
202: ok 994 # SMARTS matched the SMILES molecule
202: 1..994
203: # Testing unit cell transformations ...
203: 1..12
203: ok 1 # a distance
203: ok 2 # b distance
203: ok 3 # c distance
203: ok 4 # alpha angle
203: ok 5 # beta angle
203: ok 6 # gamma angle
203: ok 7 # a distance
203: ok 8 # b distance
203: ok 9 # c distance
203: ok 10 # a angle
203: ok 11 # beta angle
203: ok 12 # gamma angle
203: # Testing unit cell coordinate functions ...
203: 13..24
203: ok 13 # wrapped cartesian x
203: ok 14 # wrapped cartesian y
203: ok 15 # wrapped cartesian z
203: ok 16 # wrapped fractional x
203: ok 17 # wrapped fractional y
203: ok 18 # wrapped fractional z
203: ok 19 # cart2frac x
203: ok 20 # cart2frac y
203: ok 21 # cart2frac z
203: ok 22 # frac2cart x
203: ok 23 # frac2cart y
203: ok 24 # frac2cart z
203: # cell volume 45.64
203: # lattice type 2
203: # cell volume 45.64
203: # lattice type 2
172/219 Test  #63: test_lssr_3 ......................   Passed   87.63 sec
test 204
        Start 204: test_cmlreadfile_1
204: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_runner "cmlreadfile" "1"
204: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
204: Environment variables: 
204:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
204:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
204: Test timeout computed to be: 6000
173/219 Test  #64: test_lssr_4 ......................   Passed   87.07 sec
test 205
        Start 205: inchiSamples.sdf_Test
205: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Samples.sdf" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Samples.sdf.txt"
205: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
205: Environment variables: 
205:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
205:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
205: Test timeout computed to be: 6000
174/219 Test #167: test_cansmi_1 ....................   Passed   68.00 sec
test 206
        Start 206: inchiSamplesTechMan.sdf_Test
206: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/SamplesTechMan.sdf" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/SamplesTechMan.sdf.txt"
206: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
206: Environment variables: 
206:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
206:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64:
206: Test timeout computed to be: 6000
175/219 Test #168: test_charge_mmff94_1 .............   Passed   68.03 sec
test 207
        Start 207: pytest_babel
207: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pytest_babel.cmake"
207: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
207: Test timeout computed to be: 6000
176/219 Test #169: test_charge_gasteiger_1 ..........   Passed   67.96 sec
test 208
        Start 208: pytest_smartssym
208: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pytest_smartssym.cmake"
208: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
208: Test timeout computed to be: 6000
177/219 Test #174: test_ffmmff94_2 ..................   Passed   67.72 sec
test 209
        Start 209: pytest_fastsearch
209: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pytest_fastsearch.cmake"
209: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
209: Test timeout computed to be: 6000
178/219 Test #176: test_ffmmff94_4 ..................   Passed   67.69 sec
test 210
        Start 210: pytest_distgeom
210: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pytest_distgeom.cmake"
210: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
210: Test timeout computed to be: 6000
179/219 Test #192: test_mol_1 .......................   Passed   65.82 sec
test 211
        Start 211: pytest_unique
211: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pytest_unique.cmake"
211: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
211: Test timeout computed to be: 6000
180/219 Test #193: test_pdbreadfile_1 ...............   Passed   63.98 sec
test 212
        Start 212: pytest_kekule
212: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pytest_kekule.cmake"
212: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
212: Test timeout computed to be: 6000
181/219 Test #194: test_pdbreadfile_2 ...............   Passed   59.73 sec
test 213
        Start 213: pytest_pdbformat
213: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pytest_pdbformat.cmake"
213: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
213: Test timeout computed to be: 6000
182/219 Test #195: test_pdbreadfile_3 ...............   Passed   58.30 sec
test 214
        Start 214: pytest_RInChI
214: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pytest_RInChI.cmake"
214: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
214: Test timeout computed to be: 6000
183/219 Test #196: test_pdbreadfile_4 ...............   Passed   58.68 sec
test 215
        Start 215: pybindtest__pybel
215: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pybindtest__pybel.cmake"
215: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
215: Test timeout computed to be: 6000
184/219 Test #197: test_phmodel_1 ...................   Passed   58.35 sec
test 216
        Start 216: pybindtest_example
216: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pybindtest_example.cmake"
216: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
216: Test timeout computed to be: 6000
185/219 Test #198: test_residue_1 ...................   Passed   58.45 sec
test 217
        Start 217: pybindtest_cdjsonformat
217: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pybindtest_cdjsonformat.cmake"
217: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
217: Test timeout computed to be: 6000
186/219 Test #200: test_smartstest_1 ................   Passed   58.34 sec
test 218
        Start 218: pybindtest_pcjsonformat
218: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pybindtest_pcjsonformat.cmake"
218: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
218: Test timeout computed to be: 6000
187/219 Test #201: test_smartsparse_1 ...............   Passed   58.39 sec
test 219
        Start 219: pybindtest_roundtrip
219: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test/pybindtest_roundtrip.cmake"
219: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/test
219: Test timeout computed to be: 6000
188/219 Test #202: test_smilesmatch_1 ...............   Passed   58.47 sec
189/219 Test #203: test_unitcell_1 ..................   Passed   48.36 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y8j_sts.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y91_ct9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y9t_hhg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ya4_ctx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ya8_smb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yah_eee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yb6_mnn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yb7_icn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ybg_tav.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ybh_cie.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ybq_bdh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yc1_4bc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ycl_kri.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ydr_iqp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yds_iqs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ydt_iqb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yfw_4aa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ygc_905.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ygj_rmc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ygk_rrc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yhj_r6c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yhy_1mm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yhy_p22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yi1_1tb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yi3_ly2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yim_cm4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yin_cm3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yki_nfz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ykr_628.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ymt_dr9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ynd_sfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ynh_suo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yni_sug.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ynj_srn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yns_hpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yol_s03.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1you_pfd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yow_p0e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yp9_uiz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yqy_915.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yrs_l47.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yry_msg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yvf_ph7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yvj_4st.sdf
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171:     torsion ( -4.487,   2.988,   1.987)  ( -4.486,   2.988,   1.988)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-11.129,  11.373, -23.582)  (-11.129,  11.373, -23.581)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.126,  -0.112,   0.211)  ( -0.126,  -0.112,   0.211)  ( 0.00,  0.00,  0.00)
171: 25       (-28.101, -61.144, -25.772)  (-28.073, -61.115, -25.745)  ( 0.10,  0.05,  0.10)
171:     bond    (-98.484, -40.750,  51.097)  (-98.467, -40.731,  51.115)  ( 0.02,  0.05,  0.04)
171:     angle   ( 73.204, -34.175, -58.194)  ( 73.213, -34.166, -58.186)  ( 0.01,  0.03,  0.01)
171:     torsion (  2.203,  -2.710, -10.758)  (  2.203,  -2.710, -10.758)  ( 0.01,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.869,  16.592,  -7.909)  ( -4.869,  16.592,  -7.909)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.154,  -0.101,  -0.008)  ( -0.154,  -0.101,  -0.008)  ( 0.00,  0.00,  0.00)
171: 26       ( 35.161, -13.615,  -7.818)  ( 35.190, -13.587,  -7.791)  ( 0.08,  0.21,  0.34)
171:     bond    (103.369,   5.170, -50.791)  (103.386,   5.189, -50.773)  ( 0.02,  0.35,  0.04)
171:     angle   (-63.196, -26.589,  42.786)  (-63.185, -26.580,  42.794)  ( 0.02,  0.03,  0.02)
171:     torsion ( -1.603,  -0.711,   1.139)  ( -1.603,  -0.710,   1.140)  ( 0.01,  0.03,  0.08)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.485,   8.521,  -0.920)  ( -3.485,   8.521,  -0.920)  ( 0.01,  0.00,  0.00)
171:     electro (  0.076,  -0.007,  -0.032)  (  0.076,  -0.007,  -0.032)  ( 0.00,  0.00,  0.00)
171: 27       (-14.837,  26.774,  43.062)  (-14.810,  26.801,  43.089)  ( 0.18,  0.10,  0.06)
171:     bond    (  4.117, -17.524, -19.432)  (  4.135, -17.505, -19.413)  ( 0.44,  0.11,  0.10)
171:     angle   (-13.628,  41.763,  43.917)  (-13.620,  41.771,  43.925)  ( 0.06,  0.02,  0.02)
171:     torsion ( -0.358,  -1.930,   0.806)  ( -0.357,  -1.930,   0.806)  ( 0.01,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -5.096,   4.534,  18.317)  ( -5.096,   4.534,  18.318)  ( 0.01,  0.01,  0.00)
171:     electro (  0.128,  -0.069,  -0.547)  (  0.128,  -0.069,  -0.547)  ( 0.00,  0.00,  0.00)
171: 28       (  8.497,  -0.257,  -5.188)  (  8.512,  -0.251,  -5.172)  ( 0.18,  0.15,  0.31)
171:     bond    ( 14.780,   7.587,   0.109)  ( 14.794,   7.591,   0.120)  ( 0.09,  0.05,  0.12)
171:     angle   ( -1.698,   5.503,  -0.586)  ( -1.696,   5.505,  -0.581)  ( 0.07,  0.03,  0.28)
171:     torsion (  3.366,  -7.648,  -0.412)  (  3.366,  -7.648,  -0.412)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -9.291,  -7.560,  -4.551)  ( -9.291,  -7.560,  -4.551)  ( 0.00,  0.00,  0.00)
171:     electro (  1.340,   1.861,   0.252)  (  1.340,   1.861,   0.252)  ( 0.00,  0.00,  0.00)
171: 29       (  1.135,   9.164,  22.858)  (  1.139,   9.169,  22.870)  ( 0.29,  0.05,  0.05)
171:     bond    ( -5.112,  12.768,  26.865)  ( -5.112,  12.770,  26.876)  ( 0.01,  0.02,  0.04)
171:     angle   ( -1.676,  -6.965,   2.989)  ( -1.674,  -6.963,   2.990)  ( 0.14,  0.03,  0.02)
171:     torsion (  5.386,   0.895,   0.599)  (  5.386,   0.895,   0.599)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.489,   2.748,  -7.812)  (  2.489,   2.748,  -7.812)  ( 0.01,  0.01,  0.00)
171:     electro (  0.049,  -0.281,   0.216)  (  0.049,  -0.281,   0.216)  ( 0.00,  0.00,  0.00)
171: 30       (  6.513,  -5.402, -14.742)  (  6.517,  -5.398, -14.729)  ( 0.06,  0.07,  0.09)
171:     bond    (  2.161,  -3.150, -10.451)  (  2.161,  -3.149, -10.438)  ( 0.03,  0.04,  0.12)
171:     angle   ( -5.037,   5.760,  -2.781)  ( -5.035,   5.763,  -2.781)  ( 0.05,  0.04,  0.01)
171:     torsion ( -3.391,   1.961,  -1.294)  ( -3.391,   1.961,  -1.294)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 12.958, -10.001,  -0.088)  ( 12.958, -10.000,  -0.088)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.177,   0.028,  -0.128)  ( -0.177,   0.028,  -0.128)  ( 0.00,  0.00,  0.00)
171: 31       ( -1.275,   8.846,  19.336)  ( -1.272,   8.850,  19.349)  ( 0.27,  0.05,  0.07)
171:     bond    ( -5.210,   9.256,  28.211)  ( -5.210,   9.257,  28.223)  ( 0.01,  0.02,  0.04)
171:     angle   ( -2.481,   7.776,  -3.009)  ( -2.479,   7.778,  -3.009)  ( 0.10,  0.03,  0.01)
171:     torsion (  3.362,   4.451,  -0.839)  (  3.362,   4.451,  -0.839)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.174, -12.636,  -4.980)  (  3.174, -12.636,  -4.979)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.120,  -0.000,  -0.047)  ( -0.120,  -0.000,  -0.047)  ( 0.00,  0.00,  0.00)
171: 32       ( 14.674,  13.014,   6.241)  ( 14.677,  13.019,   6.252)  ( 0.02,  0.04,  0.19)
171:     bond    ( -2.053,   4.526,   9.293)  ( -2.053,   4.528,   9.304)  ( 0.03,  0.06,  0.12)
171:     angle   (  8.651,   6.694,  -1.351)  (  8.653,   6.696,  -1.350)  ( 0.03,  0.03,  0.04)
171:     torsion (  6.608,   2.848,   0.072)  (  6.609,   2.848,   0.072)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.573,  -1.248,  -1.048)  ( -0.573,  -1.248,  -1.048)  ( 0.00,  0.00,  0.00)
171:     electro (  2.041,   0.195,  -0.725)  (  2.041,   0.195,  -0.725)  ( 0.00,  0.00,  0.00)
171: 33       ( 18.911,  -3.943,   2.356)  ( 18.918,  -3.940,   2.365)  ( 0.04,  0.07,  0.38)
171:     bond    ( 10.734,  -2.576,  12.310)  ( 10.740,  -2.575,  12.317)  ( 0.06,  0.02,  0.06)
171:     angle   ( 11.242,  -4.178, -10.677)  ( 11.243,  -4.176, -10.676)  ( 0.01,  0.06,  0.01)
171:     torsion ( -1.546,   0.545,   1.461)  ( -1.546,   0.545,   1.461)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.573,   2.028,  -1.039)  ( -1.573,   2.028,  -1.039)  ( 0.00,  0.00,  0.00)
171:     electro (  0.054,   0.239,   0.301)  (  0.054,   0.239,   0.301)  ( 0.00,  0.00,  0.00)
171: 34       ( 17.221,  -5.670,  -5.070)  ( 17.226,  -5.666,  -5.060)  ( 0.03,  0.08,  0.20)
171:     bond    (  6.265,  -5.629, -11.470)  (  6.267,  -5.627, -11.461)  ( 0.04,  0.04,  0.08)
171:     angle   ( 19.085,  -3.007,  11.912)  ( 19.087,  -3.005,  11.913)  ( 0.01,  0.07,  0.01)
171:     torsion (  3.429,  -0.923,   2.328)  (  3.429,  -0.923,   2.328)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-11.595,   4.208,  -8.007)  (-11.595,   4.208,  -8.007)  ( 0.00,  0.00,  0.00)
171:     electro (  0.037,  -0.319,   0.167)  (  0.037,  -0.319,   0.167)  ( 0.00,  0.00,  0.00)
171: 35       ( -0.153,   2.884,  15.147)  ( -0.149,   2.888,  15.159)  ( 0.06,  0.12,  0.08)
171:     bond    ( -5.651,   5.533,  15.742)  ( -5.650,   5.534,  15.753)  ( 0.03,  0.03,  0.07)
171:     angle   (  8.976,  -0.225,   3.298)  (  8.979,  -0.223,   3.298)  ( 0.03,  0.04,  0.01)
171:     torsion (  0.041,  -3.843,   1.365)  (  0.041,  -3.843,   1.365)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.628,   1.379,  -5.426)  ( -3.628,   1.379,  -5.426)  ( 0.01,  0.00,  0.00)
171:     electro (  0.109,   0.040,   0.169)  (  0.109,   0.040,   0.169)  ( 0.00,  0.00,  0.00)
171: 36       (  5.573, -10.443,   1.601)  (  5.576, -10.429,   1.603)  ( 0.06,  0.13,  0.16)
171:     bond    (  2.447, -12.323,   1.178)  (  2.448, -12.309,   1.178)  ( 0.02,  0.11,  0.02)
171:     angle   (  9.835,   2.579,   6.502)  (  9.837,   2.579,   6.504)  ( 0.02,  0.01,  0.03)
171:     torsion (  1.139,   0.057,  -1.770)  (  1.139,   0.057,  -1.770)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -7.878,  -0.677,  -4.353)  ( -7.878,  -0.677,  -4.353)  ( 0.00,  0.00,  0.00)
171:     electro (  0.030,  -0.079,   0.042)  (  0.030,  -0.079,   0.042)  ( 0.00,  0.00,  0.00)
171: 37       (  2.702,  11.065, -14.075)  (  2.706,  11.068, -14.063)  ( 0.15,  0.02,  0.09)
171:     bond    (  5.434,  -1.965, -15.059)  (  5.436,  -1.965, -15.047)  ( 0.03,  0.01,  0.08)
171:     angle   ( -6.922,   9.749,  -3.773)  ( -6.920,   9.751,  -3.773)  ( 0.03,  0.02,  0.01)
171:     torsion ( -1.385,   6.532,  -1.353)  ( -1.385,   6.532,  -1.353)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.021,  -3.169,   6.271)  (  6.021,  -3.169,   6.271)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.447,  -0.082,  -0.161)  ( -0.447,  -0.082,  -0.161)  ( 0.00,  0.00,  0.00)
171: 38       (  6.424,  19.193,   1.053)  (  6.427,  19.207,   1.056)  ( 0.05,  0.07,  0.22)
171:     bond    ( -3.922,  19.838,   1.549)  ( -3.921,  19.851,   1.549)  ( 0.02,  0.07,  0.01)
171:     angle   ( 18.258,   4.139,  -6.820)  ( 18.260,   4.139,  -6.818)  ( 0.01,  0.00,  0.03)
171:     torsion ( -1.009,  -0.621,   5.406)  ( -1.009,  -0.621,   5.406)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.486,  -4.338,   0.616)  ( -6.486,  -4.338,   0.616)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.416,   0.175,   0.302)  ( -0.416,   0.175,   0.302)  ( 0.00,  0.00,  0.00)
171: 39       (  2.389,  11.625,   2.946)  (  2.393,  11.639,   2.948)  ( 0.16,  0.12,  0.06)
171:     bond    ( -0.674,  12.590,  -2.228)  ( -0.674,  12.604,  -2.228)  ( 0.01,  0.11,  0.02)
171:     angle   ( -3.946,  -0.319,  -0.610)  ( -3.943,  -0.319,  -0.610)  ( 0.08,  0.00,  0.00)
171:     torsion ( -0.192,   0.884,   5.056)  ( -0.192,   0.884,   5.057)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.973,  -1.258,   0.526)  (  6.973,  -1.258,   0.526)  ( 0.00,  0.00,  0.00)
171:     electro (  0.229,  -0.271,   0.203)  (  0.229,  -0.271,   0.203)  ( 0.00,  0.00,  0.00)
171: 40       (  0.317,   6.239, -12.048)  (  0.323,   6.243, -12.038)  ( 0.18,  0.06,  0.08)
171:     bond    ( -6.745,   3.732, -10.241)  ( -6.741,   3.733, -10.232)  ( 0.06,  0.03,  0.09)
171:     angle   (  4.852,   4.160,  -1.680)  (  4.853,   4.163,  -1.679)  ( 0.03,  0.06,  0.04)
171:     torsion (  2.807,   2.075,  -1.093)  (  2.807,   2.075,  -1.093)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.707,  -3.828,   0.904)  ( -0.707,  -3.828,   0.904)  ( 0.00,  0.00,  0.00)
171:     electro (  0.110,   0.099,   0.061)  (  0.110,   0.099,   0.061)  ( 0.00,  0.00,  0.00)
171: 41       ( -2.273,  10.453,   6.209)  ( -2.268,  10.457,   6.219)  ( 0.24,  0.04,  0.16)
171:     bond    ( -5.788,   3.588,   9.319)  ( -5.784,   3.590,   9.329)  ( 0.06,  0.04,  0.10)
171:     angle   (  8.488,  16.065,  -0.919)  (  8.490,  16.067,  -0.919)  ( 0.02,  0.01,  0.07)
171:     torsion ( -3.730,  -1.289,  -1.817)  ( -3.730,  -1.289,  -1.817)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.346,  -7.951,  -0.446)  ( -1.346,  -7.950,  -0.446)  ( 0.00,  0.00,  0.00)
171:     electro (  0.103,   0.039,   0.071)  (  0.103,   0.039,   0.071)  ( 0.00,  0.00,  0.00)
171: 42       ( -3.377,   4.884,  -9.057)  ( -3.374,   4.887,  -9.044)  ( 0.09,  0.05,  0.15)
171:     bond    (  1.963,   0.521, -10.197)  (  1.964,   0.521, -10.183)  ( 0.03,  0.00,  0.13)
171:     angle   ( -9.996,   8.198,  -1.508)  ( -9.994,   8.200,  -1.507)  ( 0.02,  0.03,  0.01)
171:     torsion ( -0.144,   6.172,   0.288)  ( -0.145,   6.172,   0.288)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.858,  -9.999,   2.352)  (  4.858,  -9.999,   2.352)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.058,  -0.008,   0.007)  ( -0.058,  -0.008,   0.007)  ( 0.00,  0.00,  0.00)
171: 43       ( -3.105,   8.144,  -3.972)  ( -3.101,   8.156,  -3.969)  ( 0.14,  0.14,  0.08)
171:     bond    ( -3.568,   8.130,   2.505)  ( -3.565,   8.141,   2.507)  ( 0.06,  0.14,  0.04)
171:     angle   (  1.193,   4.827, -13.981)  (  1.195,   4.828, -13.979)  ( 0.17,  0.01,  0.02)
171:     torsion ( -2.182,  -2.621,   5.410)  ( -2.182,  -2.621,   5.410)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.453,  -2.137,   2.022)  (  1.453,  -2.137,   2.022)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.001,  -0.054,   0.073)  ( -0.001,  -0.054,   0.073)  ( 0.00,  0.00,  0.00)
171: 44       (-10.784,   4.905,  -2.290)  (-10.780,   4.909,  -2.279)  ( 0.03,  0.09,  0.48)
171:     bond    ( -1.245,  -1.494,  -3.293)  ( -1.244,  -1.492,  -3.283)  ( 0.12,  0.15,  0.32)
171:     angle   ( -7.495,  16.263,  -4.553)  ( -7.493,  16.265,  -4.552)  ( 0.03,  0.01,  0.01)
171:     torsion ( -3.199,  -2.788,   2.479)  ( -3.199,  -2.788,   2.479)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.131,  -7.171,   3.119)  (  1.131,  -7.171,   3.119)  ( 0.01,  0.00,  0.00)
171:     electro (  0.025,   0.096,  -0.043)  (  0.025,   0.096,  -0.043)  ( 0.00,  0.00,  0.00)
171: 45       ( -5.582,   7.292,   6.953)  ( -5.572,   7.295,   6.958)  ( 0.18,  0.05,  0.08)
171:     bond    (-10.157,   4.382,   6.381)  (-10.148,   4.383,   6.385)  ( 0.09,  0.04,  0.06)
171:     angle   ( -1.443,  -0.968,  -1.632)  ( -1.443,  -0.966,  -1.630)  ( 0.06,  0.20,  0.11)
171:     torsion (  2.298,   4.300,   0.702)  (  2.298,   4.299,   0.701)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.614,  -0.509,   1.475)  (  3.614,  -0.509,   1.475)  ( 0.00,  0.01,  0.00)
171:     electro (  0.107,   0.087,   0.027)  (  0.107,   0.087,   0.027)  ( 0.00,  0.00,  0.00)
171: 46       (  1.502,  -2.484,  22.995)  (  1.505,  -2.479,  23.008)  ( 0.19,  0.19,  0.06)
171:     bond    ( -3.493,   9.127,  26.544)  ( -3.492,   9.129,  26.556)  ( 0.01,  0.02,  0.05)
171:     angle   ( -3.216,   8.998,  -3.517)  ( -3.214,   9.000,  -3.516)  ( 0.07,  0.03,  0.01)
171:     torsion (  1.122,  -6.958,   2.539)  (  1.122,  -6.958,   2.539)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  7.029, -13.585,  -2.478)  (  7.029, -13.584,  -2.478)  ( 0.00,  0.01,  0.00)
171:     electro (  0.060,  -0.066,  -0.093)  (  0.060,  -0.066,  -0.093)  ( 0.00,  0.00,  0.00)
171: 47       ( 12.368,  -4.506,  -9.860)  ( 12.376,  -4.499,  -9.853)  ( 0.06,  0.14,  0.07)
171:     bond    (  3.308,  -3.151,  -3.452)  (  3.313,  -3.147,  -3.447)  ( 0.14,  0.14,  0.15)
171:     angle   ( -8.806, -11.034,   1.609)  ( -8.804, -11.032,   1.611)  ( 0.02,  0.02,  0.09)
171:     torsion (  0.935,  -1.718,   2.467)  (  0.935,  -1.718,   2.467)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 17.166,  11.473, -10.633)  ( 17.167,  11.474, -10.632)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.235,  -0.076,   0.149)  ( -0.235,  -0.076,   0.149)  ( 0.00,  0.00,  0.00)
171: 48       ( -8.697,   6.010,  -3.440)  ( -8.690,   6.018,  -3.435)  ( 0.08,  0.12,  0.15)
171:     bond    ( -5.745,   6.100,   4.627)  ( -5.740,   6.106,   4.630)  ( 0.09,  0.09,  0.07)
171:     angle   ( -1.120,   0.588,  -2.166)  ( -1.118,   0.590,  -2.164)  ( 0.15,  0.08,  0.07)
171:     torsion ( -2.382,   2.622,  -6.411)  ( -2.382,   2.622,  -6.411)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.557,  -3.149,   0.414)  (  0.557,  -3.149,   0.414)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.007,  -0.151,   0.096)  ( -0.007,  -0.151,   0.096)  ( 0.00,  0.00,  0.00)
171: 49       (  4.913,  -4.170, -18.999)  (  4.916,  -4.167, -18.986)  ( 0.05,  0.08,  0.07)
171:     bond    ( -1.163,   3.976, -17.396)  ( -1.163,   3.976, -17.383)  ( 0.01,  0.02,  0.08)
171:     angle   ( -1.866,  -8.632,  -1.849)  ( -1.864,  -8.630,  -1.849)  ( 0.13,  0.03,  0.01)
171:     torsion (  4.281,  -3.420,  -1.069)  (  4.281,  -3.420,  -1.069)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.684,   4.030,   1.201)  (  3.684,   4.030,   1.201)  ( 0.00,  0.01,  0.00)
171:     electro ( -0.022,  -0.124,   0.114)  ( -0.022,  -0.124,   0.114)  ( 0.00,  0.00,  0.00)
171: 50       ( -2.928,  -5.591, -15.480)  ( -2.923,  -5.584, -15.471)  ( 0.15,  0.12,  0.05)
171:     bond    (  5.810,  -8.644, -10.914)  (  5.813,  -8.639, -10.907)  ( 0.04,  0.05,  0.07)
171:     angle   ( -1.237,   2.617,  -2.734)  ( -1.235,   2.619,  -2.733)  ( 0.17,  0.06,  0.04)
171:     torsion ( -3.418,   2.575,  -3.861)  ( -3.418,   2.575,  -3.861)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.067,  -2.271,   2.010)  ( -4.067,  -2.271,   2.010)  ( 0.00,  0.01,  0.00)
171:     electro ( -0.016,   0.132,   0.019)  ( -0.016,   0.132,   0.019)  ( 0.00,  0.00,  0.00)
171: 51       ( 19.616,  -0.297,   9.656)  ( 19.620,  -0.292,   9.667)  ( 0.02,  0.13,  0.12)
171:     bond    ( -1.047,   1.371,  -3.118)  ( -1.046,   1.373,  -3.107)  ( 0.12,  0.15,  0.35)
171:     angle   (-19.284, -11.124,   1.573)  (-19.282, -11.122,   1.574)  ( 0.01,  0.02,  0.03)
171:     torsion (  4.242,  -4.702,  -3.506)  (  4.242,  -4.702,  -3.506)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 35.747,  14.123,  14.700)  ( 35.748,  14.124,  14.700)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.042,   0.035,   0.006)  ( -0.042,   0.035,   0.006)  ( 0.00,  0.00,  0.00)
171: 52       (-13.704,   6.920,  -1.069)  (-13.701,   6.923,  -1.057)  ( 0.03,  0.05,  1.14)
171:     bond    ( -3.332,   2.481,  -9.253)  ( -3.330,   2.482,  -9.241)  ( 0.05,  0.04,  0.13)
171:     angle   ( -2.775,   9.142,   3.455)  ( -2.773,   9.144,   3.455)  ( 0.08,  0.02,  0.01)
171:     torsion ( -4.300,   1.076,   1.838)  ( -4.300,   1.076,   1.838)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.362,  -5.634,   2.789)  ( -3.362,  -5.634,   2.789)  ( 0.00,  0.00,  0.00)
171:     electro (  0.065,  -0.146,   0.101)  (  0.065,  -0.146,   0.101)  ( 0.00,  0.00,  0.00)
171: 53       ( -6.772,   4.115,  19.114)  ( -6.767,   4.123,  19.121)  ( 0.07,  0.20,  0.04)
171:     bond    ( -7.768,  13.770,  12.651)  ( -7.765,  13.777,  12.656)  ( 0.03,  0.05,  0.04)
171:     angle   ( -6.357,  -8.669,   5.534)  ( -6.355,  -8.668,   5.535)  ( 0.03,  0.02,  0.02)
171:     torsion (  3.944,   1.224,   1.087)  (  3.944,   1.224,   1.087)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.332,  -2.032,  -0.117)  (  3.332,  -2.032,  -0.117)  ( 0.00,  0.01,  0.00)
171:     electro (  0.077,  -0.179,  -0.041)  (  0.077,  -0.179,  -0.041)  ( 0.00,  0.00,  0.00)
171: 54       ( -9.251,  -2.073,  15.373)  ( -9.249,  -2.071,  15.387)  ( 0.03,  0.14,  0.09)
171:     bond    ( -1.729,   0.440,  19.656)  ( -1.729,   0.440,  19.670)  ( 0.01,  0.00,  0.07)
171:     angle   ( -0.508,  -2.205,   0.005)  ( -0.506,  -2.203,   0.005)  ( 0.12,  0.12,  0.00)
171:     torsion ( -7.215,  -1.283,  -0.605)  ( -7.215,  -1.283,  -0.605)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.152,   0.997,  -3.350)  (  0.152,   0.997,  -3.350)  ( 0.00,  0.01,  0.00)
171:     electro (  0.049,  -0.022,  -0.333)  (  0.049,  -0.022,  -0.333)  ( 0.00,  0.00,  0.00)
171: 55       (  2.696,  -3.472,  -0.969)  (  2.709,  -3.469,  -0.965)  ( 0.49,  0.08,  0.30)
171:     bond    ( -0.003,   0.001,   0.002)  (  0.010,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
171:     angle   (  0.968, -19.998,   2.649)  (  0.968, -19.996,   2.651)  ( 0.02,  0.01,  0.07)
171:     torsion (  0.546,   0.938,  -2.130)  (  0.546,   0.938,  -2.130)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.265,  15.526,  -1.506)  (  1.265,  15.526,  -1.506)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.079,   0.063,   0.017)  ( -0.079,   0.063,   0.017)  ( 0.00,  0.00,  0.00)
171: 56       ( -7.342, -13.590,  -2.119)  ( -7.340, -13.587,  -2.105)  ( 0.03,  0.02,  0.64)
171:     bond    ( -0.228,  -1.518,  -7.046)  ( -0.228,  -1.517,  -7.032)  ( 0.00,  0.04,  0.19)
171:     angle   (  1.375, -14.093,   2.995)  (  1.377, -14.091,   2.995)  ( 0.16,  0.01,  0.00)
171:     torsion ( -2.507,  -1.771,   0.463)  ( -2.507,  -1.771,   0.463)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -5.863,   3.701,   1.444)  ( -5.863,   3.701,   1.444)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.119,   0.091,   0.025)  ( -0.119,   0.091,   0.025)  ( 0.00,  0.00,  0.00)
171: 57       ( -3.437, -13.153,  10.542)  ( -3.433, -13.143,  10.547)  ( 0.12,  0.07,  0.05)
171:     bond    ( -7.015, -14.859,   9.112)  ( -7.013, -14.850,   9.116)  ( 0.03,  0.06,  0.04)
171:     angle   (  5.572,  -2.900,  -0.436)  (  5.574,  -2.899,  -0.434)  ( 0.03,  0.03,  0.07)
171:     torsion (  1.664,   0.516,   2.120)  (  1.664,   0.516,   2.120)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.550,   3.955,  -0.253)  ( -3.550,   3.955,  -0.253)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.108,   0.135,  -0.002)  ( -0.108,   0.135,  -0.002)  ( 0.00,  0.00,  0.00)
171: 58       ( -8.967,  -0.985,  -4.497)  ( -8.961,  -0.975,  -4.494)  ( 0.07,  0.96,  0.06)
171:     bond    ( -3.054,   4.137,   0.969)  ( -3.049,   4.146,   0.970)  ( 0.16,  0.21,  0.05)
171:     angle   (-10.621,  -6.790,  -4.360)  (-10.619,  -6.789,  -4.358)  ( 0.01,  0.01,  0.05)
171:     torsion (  0.462,   0.660,  -1.369)  (  0.462,   0.660,  -1.369)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.078,   1.000,   0.239)  (  4.078,   1.001,   0.239)  ( 0.00,  0.00,  0.00)
171:     electro (  0.167,   0.007,   0.023)  (  0.167,   0.007,   0.023)  ( 0.00,  0.00,  0.00)
171: 59       ( -9.358, -11.621,   0.696)  ( -9.353, -11.611,   0.700)  ( 0.05,  0.08,  0.29)
171:     bond    ( -6.959, -12.644,   6.347)  ( -6.957, -12.635,   6.349)  ( 0.04,  0.07,  0.04)
171:     angle   ( -7.398,   0.405,  -7.299)  ( -7.396,   0.405,  -7.297)  ( 0.02,  0.03,  0.02)
171:     torsion ( -0.575,   0.888,   1.138)  ( -0.575,   0.888,   1.138)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.404,  -0.292,   0.487)  (  5.404,  -0.292,   0.487)  ( 0.00,  0.00,  0.00)
171:     electro (  0.171,   0.023,   0.023)  (  0.171,   0.023,   0.023)  ( 0.00,  0.00,  0.00)
171: 60       ( -3.589,  -9.768,  -9.617)  ( -3.587,  -9.766,  -9.603)  ( 0.07,  0.02,  0.14)
171:     bond    (  0.325,  -1.894, -13.079)  (  0.325,  -1.894, -13.065)  ( 0.00,  0.02,  0.11)
171:     angle   (-10.501,  -5.287,   0.505)  (-10.499,  -5.285,   0.505)  ( 0.02,  0.04,  0.00)
171:     torsion (  0.134,  -1.812,   0.266)  (  0.134,  -1.811,   0.266)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.306,  -0.790,   2.628)  (  6.306,  -0.790,   2.628)  ( 0.00,  0.00,  0.00)
171:     electro (  0.147,   0.015,   0.063)  (  0.147,   0.015,   0.063)  ( 0.00,  0.00,  0.00)
171: 61       (  1.131,  -1.661,   5.517)  (  1.143,  -1.658,   5.521)  ( 1.07,  0.18,  0.07)
171:     bond    (  0.790,   0.192,   0.327)  (  0.801,   0.193,   0.329)  ( 0.91,  0.01,  0.06)
171:     angle   ( -1.535, -14.190,  12.056)  ( -1.535, -14.188,  12.058)  ( 0.03,  0.01,  0.02)
171:     torsion ( -1.058,   2.524,   1.095)  ( -1.058,   2.524,   1.095)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.958,   9.790,  -7.974)  (  2.958,   9.790,  -7.974)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.024,   0.022,   0.013)  ( -0.024,   0.022,   0.013)  ( 0.00,  0.00,  0.00)
171: 62       (-18.793,  -8.916,  -2.322)  (-18.790,  -8.902,  -2.319)  ( 0.02,  0.16,  0.11)
171:     bond    ( -0.155,  -1.815,   0.061)  ( -0.155,  -1.801,   0.061)  ( 0.00,  0.77,  0.00)
171:     angle   ( 11.176,  -0.415,  16.278)  ( 11.178,  -0.415,  16.280)  ( 0.02,  0.00,  0.01)
171:     torsion (  3.102,  -0.284,  -0.492)  (  3.102,  -0.284,  -0.492)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-32.887,  -6.407, -18.129)  (-32.886,  -6.407, -18.129)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.028,   0.005,  -0.039)  ( -0.028,   0.005,  -0.039)  ( 0.00,  0.00,  0.00)
171: 63       ( -9.679,   4.907,   3.945)  ( -9.671,   4.911,   3.952)  ( 0.08,  0.08,  0.18)
171:     bond    ( -9.380,   5.378,   8.317)  ( -9.373,   5.380,   8.322)  ( 0.07,  0.04,  0.06)
171:     angle   (  2.019,  -0.632,   2.681)  (  2.020,  -0.630,   2.682)  ( 0.05,  0.11,  0.06)
171:     torsion ( -1.826,  -2.219,  -0.622)  ( -1.826,  -2.219,  -0.622)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.491,   2.299,  -6.394)  ( -0.491,   2.299,  -6.394)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.001,   0.081,  -0.036)  ( -0.001,   0.081,  -0.036)  ( 0.00,  0.00,  0.00)
171: 64       ( 14.765,  -3.549,   0.688)  ( 14.779,  -3.547,   0.692)  ( 0.09,  0.07,  0.24)
171:     bond    (  5.465,   0.880,  -1.324)  (  5.478,   0.880,  -1.323)  ( 0.24,  0.03,  0.06)
171:     angle   ( -3.603, -13.053, -23.595)  ( -3.602, -13.051, -23.593)  ( 0.01,  0.02,  0.01)
171:     torsion (  0.640,  -2.270,   1.141)  (  0.640,  -2.270,   1.141)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 12.181,  10.982,  24.513)  ( 12.181,  10.982,  24.513)  ( 0.00,  0.00,  0.00)
171:     electro (  0.082,  -0.088,  -0.046)  (  0.082,  -0.088,  -0.046)  ( 0.00,  0.00,  0.00)
171: 65       (  3.892,  10.006,  -9.110)  (  3.898,  10.011,  -9.101)  ( 0.15,  0.04,  0.10)
171:     bond    ( -2.770,   2.059,  -3.865)  ( -2.766,   2.061,  -3.858)  ( 0.15,  0.11,  0.20)
171:     angle   ( 15.805, -10.041, -16.698)  ( 15.807, -10.039, -16.697)  ( 0.01,  0.02,  0.01)
171:     torsion (  1.831,   1.886,  -0.305)  (  1.831,   1.887,  -0.305)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-10.990,  16.110,  11.893)  (-10.990,  16.110,  11.894)  ( 0.00,  0.00,  0.00)
171:     electro (  0.017,  -0.008,  -0.136)  (  0.017,  -0.008,  -0.136)  ( 0.00,  0.00,  0.00)
171: 66       ( -9.115,  -9.006,  -1.471)  ( -9.113,  -8.992,  -1.468)  ( 0.03,  0.15,  0.18)
171:     bond    ( -0.323,  -2.331,  -0.063)  ( -0.323,  -2.317,  -0.063)  ( 0.01,  0.59,  0.00)
171:     angle   ( 11.074,  -1.131, -15.051)  ( 11.076,  -1.131, -15.049)  ( 0.02,  0.00,  0.02)
171:     torsion ( -2.233,   0.331,  -0.749)  ( -2.233,   0.331,  -0.749)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-17.663,  -5.755,  14.342)  (-17.663,  -5.755,  14.342)  ( 0.00,  0.00,  0.00)
171:     electro (  0.030,  -0.120,   0.051)  (  0.030,  -0.120,   0.051)  ( 0.00,  0.00,  0.00)
171: 67       (  5.918,  -9.153,   3.030)  (  5.921,  -9.139,   3.033)  ( 0.05,  0.15,  0.08)
171:     bond    (  1.178, -11.514,   0.493)  (  1.178, -11.500,   0.493)  ( 0.02,  0.12,  0.00)
171:     angle   (  6.250,   1.025,   8.968)  (  6.252,   1.025,   8.970)  ( 0.04,  0.00,  0.02)
171:     torsion (  0.695,  -0.077,  -3.453)  (  0.695,  -0.077,  -3.453)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.325,   1.329,  -2.927)  ( -2.325,   1.329,  -2.927)  ( 0.01,  0.00,  0.00)
171:     electro (  0.121,   0.084,  -0.051)  (  0.121,   0.084,  -0.051)  ( 0.00,  0.00,  0.00)
171: 68       (  0.482,   2.947,  13.576)  (  0.486,   2.950,  13.588)  ( 0.18,  0.12,  0.09)
171:     bond    ( -4.784,   4.778,  14.747)  ( -4.782,   4.780,  14.759)  ( 0.03,  0.03,  0.08)
171:     angle   (  8.501,  -1.938,   3.382)  (  8.503,  -1.936,   3.382)  ( 0.03,  0.10,  0.01)
171:     torsion (  0.482,  -4.936,   1.755)  (  0.482,  -4.936,   1.755)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.760,   4.943,  -6.294)  ( -3.759,   4.943,  -6.294)  ( 0.00,  0.00,  0.00)
171:     electro (  0.042,   0.099,  -0.014)  (  0.042,   0.099,  -0.014)  ( 0.00,  0.00,  0.00)
171: 69       (  9.153,  -3.697, -10.224)  (  9.158,  -3.692, -10.214)  ( 0.05,  0.15,  0.09)
171:     bond    (  0.831,  -0.975,  -1.503)  (  0.834,  -0.971,  -1.495)  ( 0.21,  0.34,  0.54)
171:     angle   (  2.396, -12.562,   9.494)  (  2.397, -12.560,   9.495)  ( 0.08,  0.02,  0.01)
171:     torsion (  5.617,  -2.100,   4.496)  (  5.617,  -2.100,   4.496)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.258,  12.064, -22.714)  (  0.259,  12.064, -22.714)  ( 0.02,  0.00,  0.00)
171:     electro (  0.051,  -0.125,   0.004)  (  0.051,  -0.125,   0.004)  ( 0.00,  0.00,  0.00)
171: 70       (  7.709,  -1.420,  13.480)  (  7.716,  -1.417,  13.489)  ( 0.09,  0.22,  0.07)
171:     bond    (  9.230,  -2.843,  12.603)  (  9.235,  -2.843,  12.611)  ( 0.05,  0.02,  0.07)
171:     angle   ( -0.993,  -6.827,  -0.813)  ( -0.992,  -6.825,  -0.812)  ( 0.15,  0.03,  0.06)
171:     torsion ( -3.437,   2.418,   3.061)  ( -3.437,   2.418,   3.061)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.924,   5.851,  -1.469)  (  2.924,   5.851,  -1.469)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.015,  -0.018,   0.098)  ( -0.015,  -0.018,   0.098)  ( 0.00,  0.00,  0.00)
171: 71       ( 15.337,   0.468,  -6.953)  ( 15.349,   0.472,  -6.949)  ( 0.08,  0.18,  0.06)
171:     bond    ( 10.156,   4.115,  -3.749)  ( 10.167,   4.117,  -3.748)  ( 0.11,  0.04,  0.04)
171:     angle   ( -2.895, -13.080, -22.219)  ( -2.894, -13.078, -22.217)  ( 0.02,  0.01,  0.01)
171:     torsion (  0.311,  -0.472,   0.325)  (  0.311,  -0.472,   0.325)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  7.727,  10.056,  18.626)  (  7.727,  10.056,  18.626)  ( 0.00,  0.00,  0.00)
171:     electro (  0.039,  -0.151,   0.065)  (  0.039,  -0.151,   0.065)  ( 0.00,  0.00,  0.00)
171: 72       ( -2.716,   3.451, -11.879)  ( -2.708,   3.454, -11.870)  ( 0.29,  0.08,  0.07)
171:     bond    ( -5.252,   1.505,  -5.857)  ( -5.246,   1.506,  -5.849)  ( 0.12,  0.04,  0.13)
171:     angle   ( 16.316,  -1.564, -15.037)  ( 16.317,  -1.562, -15.036)  ( 0.01,  0.13,  0.01)
171:     torsion (  0.522,   0.865,  -0.245)  (  0.522,   0.865,  -0.245)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-14.285,   2.813,   9.371)  (-14.285,   2.813,   9.371)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.017,  -0.168,  -0.111)  ( -0.017,  -0.168,  -0.111)  ( 0.00,  0.00,  0.00)
171: 73       ( -1.977,  -8.183,  -0.263)  ( -1.974,  -8.169,  -0.260)  ( 0.12,  0.17,  0.07)
171:     bond    (  0.203,  -1.906,   0.142)  (  0.203,  -1.892,   0.142)  ( 0.00,  0.73,  0.00)
171:     angle   ( 11.906,   0.081, -15.902)  ( 11.908,   0.081, -15.899)  ( 0.02,  0.00,  0.02)
171:     torsion ( -0.518,  -0.066,  -0.135)  ( -0.518,  -0.066,  -0.135)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-13.619,  -6.139,  15.500)  (-13.619,  -6.139,  15.500)  ( 0.00,  0.00,  0.00)
171:     electro (  0.052,  -0.154,   0.131)  (  0.052,  -0.154,   0.131)  ( 0.00,  0.00,  0.00)
171: 74       ( -9.261,   1.471,  -4.775)  ( -9.256,   1.473,  -4.764)  ( 0.06,  0.14,  0.21)
171:     bond    ( -3.300,  -2.275,  -4.913)  ( -3.296,  -2.273,  -4.904)  ( 0.13,  0.09,  0.19)
171:     angle   ( -0.706,  -0.289,   0.607)  ( -0.705,  -0.289,   0.608)  ( 0.08,  0.01,  0.05)
171:     torsion ( -2.796,   5.459,  -0.652)  ( -2.796,   5.459,  -0.652)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.459,  -1.424,   0.183)  ( -2.459,  -1.424,   0.183)  ( 0.00,  0.00,  0.00)
171: ok 22 # gradients 
171: ok 23 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (243.435, -129.883,  97.853)  (243.468, -129.847,  97.862)  ( 0.01,  0.03,  0.01)
171:     bond    ( 13.714, -161.918,  57.015)  ( 13.737, -161.892,  57.019)  ( 0.16,  0.02,  0.01)
171:     angle   (241.825,  42.374,  40.057)  (241.835,  42.383,  40.058)  ( 0.00,  0.02,  0.00)
171:     torsion (  1.708,  -1.592,   0.535)  (  1.708,  -1.591,   0.539)  ( 0.03,  0.05,  0.24)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-14.823,  -7.893,  -0.106)  (-14.823,  -7.893,  -0.106)  ( 0.00,  0.00,  0.00)
171:     electro (  1.012,  -0.854,   0.352)  (  1.012,  -0.854,   0.352)  ( 0.00,  0.00,  0.00)
171:  2       (-213.165, 239.894, -122.837)  (-213.131, 239.930, -122.828)  ( 0.02,  0.01,  0.01)
171:     bond    ( 41.916, 143.345, -37.441)  ( 41.937, 143.373, -37.437)  ( 0.05,  0.02,  0.01)
171:     angle   (-253.888,  71.912, -100.043)  (-253.878,  71.918, -100.043)  ( 0.00,  0.01,  0.00)
171:     torsion ( -6.134,   7.270,  24.251)  ( -6.134,   7.271,  24.255)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.565,  18.251,  -9.760)  (  5.566,  18.252,  -9.761)  ( 0.02,  0.00,  0.00)
171:     electro ( -0.624,  -0.884,   0.157)  ( -0.624,  -0.884,   0.157)  ( 0.00,  0.00,  0.00)
171:  3       (-150.025, 122.428, -24.536)  (-149.990, 122.475, -24.531)  ( 0.02,  0.04,  0.02)
171:     bond    (-100.738, 108.256, -17.186)  (-100.713, 108.294, -17.185)  ( 0.02,  0.04,  0.01)
171:     angle   (-47.166,  14.804,  -4.640)  (-47.156,  14.813,  -4.640)  ( 0.02,  0.06,  0.02)
171:     torsion ( -1.343,   3.194,  -3.831)  ( -1.343,   3.194,  -3.828)  ( 0.00,  0.00,  0.07)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.737,   0.521,  -2.281)  ( -6.737,   0.521,  -2.281)  ( 0.00,  0.01,  0.00)
171:     electro (  5.959,  -4.347,   3.403)  (  5.959,  -4.347,   3.403)  ( 0.00,  0.00,  0.00)
171:  4       (  9.643, -88.299,  28.696)  (  9.675, -88.259,  28.708)  ( 0.33,  0.05,  0.04)
171:     bond    (  3.149,  11.268,  -3.764)  (  3.171,  11.298,  -3.757)  ( 0.73,  0.27,  0.19)
171:     angle   (  6.039, -82.872,  35.774)  (  6.047, -82.864,  35.776)  ( 0.14,  0.01,  0.01)
171:     torsion (  2.826,  -1.640,  -8.348)  (  2.826,  -1.640,  -8.344)  ( 0.01,  0.05,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.918, -17.675,   7.022)  (  0.919, -17.674,   7.022)  ( 0.01,  0.00,  0.00)
171:     electro ( -3.288,   2.621,  -1.988)  ( -3.288,   2.621,  -1.988)  ( 0.00,  0.00,  0.00)
171:  5       (-20.852,  34.625, -37.259)  (-20.847,  34.648, -37.253)  ( 0.02,  0.07,  0.01)
171:     bond    (  1.606,  57.568, -25.196)  (  1.606,  57.591, -25.191)  ( 0.02,  0.04,  0.02)
171:     angle   (-24.563,  -1.326,  -4.597)  (-24.559,  -1.326,  -4.597)  ( 0.02,  0.00,  0.01)
171:     torsion (  3.709,  -8.418, -19.008)  (  3.709,  -8.418, -19.008)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-12.625, -10.274,   7.171)  (-12.624, -10.274,   7.171)  ( 0.01,  0.00,  0.00)
171:     electro ( 11.021,  -2.925,   4.371)  ( 11.021,  -2.925,   4.371)  ( 0.00,  0.00,  0.00)
171:  6       (-387.995,  95.745, -78.809)  (-387.959,  95.780, -78.800)  ( 0.01,  0.04,  0.01)
171:     bond    (-170.923, 156.286, -74.681)  (-170.899, 156.312, -74.678)  ( 0.01,  0.02,  0.00)
171:     angle   (-219.890, -40.280, -20.904)  (-219.880, -40.272, -20.903)  ( 0.00,  0.02,  0.00)
171:     torsion ( -1.343,   3.083,   6.957)  ( -1.343,   3.084,   6.962)  ( 0.00,  0.02,  0.06)
171:     oop     ( -0.005,   0.013,   0.040)  ( -0.005,   0.013,   0.040)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.646, -22.596,   9.528)  (  3.647, -22.596,   9.528)  ( 0.03,  0.00,  0.00)
171:     electro (  0.521,  -0.761,   0.251)  (  0.521,  -0.761,   0.251)  ( 0.00,  0.00,  0.00)
171:  7       (173.034, -205.670,  88.803)  (173.075, -205.632,  88.813)  ( 0.02,  0.02,  0.01)
171:     bond    (-30.994,  23.260, -12.018)  (-30.963,  23.288, -12.014)  ( 0.10,  0.12,  0.04)
171:     angle   (209.295, -246.958, 102.767)  (209.304, -246.949, 102.766)  ( 0.00,  0.00,  0.00)
171:     torsion ( -0.848,   0.390,   3.384)  ( -0.847,   0.391,   3.389)  ( 0.01,  0.02,  0.16)
171:     oop     ( -0.064,   0.173,   0.491)  ( -0.064,   0.173,   0.491)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -5.122,  18.379,  -6.122)  ( -5.121,  18.379,  -6.122)  ( 0.02,  0.00,  0.00)
171:     electro (  0.767,  -0.914,   0.302)  (  0.767,  -0.914,   0.302)  ( 0.00,  0.00,  0.00)
171:  8       (176.395,  20.267,  22.152)  (176.428,  20.297,  22.159)  ( 0.02,  0.15,  0.03)
171:     bond    (126.293, -50.819,  33.089)  (126.321, -50.798,  33.091)  ( 0.02,  0.04,  0.01)
171:     angle   ( 34.480,  88.092, -24.751)  ( 34.485,  88.100, -24.750)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.863,   2.056,   6.381)  ( -0.863,   2.057,   6.384)  ( 0.00,  0.02,  0.05)
171:     oop     (  0.045,  -0.120,  -0.365)  (  0.045,  -0.120,  -0.364)  ( 0.00,  0.00,  0.02)
171:     vdw     ( 16.167, -19.067,   7.814)  ( 16.168, -19.066,   7.814)  ( 0.00,  0.00,  0.00)
171:     electro (  0.272,   0.124,  -0.016)  (  0.272,   0.124,  -0.016)  ( 0.00,  0.00,  0.00)
171:  9       (239.894, -72.401, -15.239)  (239.924, -72.370, -15.231)  ( 0.01,  0.04,  0.05)
171:     bond    (123.035, -74.312,  32.669)  (123.062, -74.290,  32.673)  ( 0.02,  0.03,  0.01)
171:     angle   (106.566, -15.151, -14.452)  (106.568, -15.143, -14.450)  ( 0.00,  0.05,  0.01)
171:     torsion (  4.251,  -6.973, -25.732)  (  4.251,  -6.973, -25.729)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.962,  16.449,  -7.787)  ( -0.962,  16.450,  -7.787)  ( 0.01,  0.00,  0.00)
171:     electro (  7.003,   7.586,   0.063)  (  7.003,   7.586,   0.063)  ( 0.00,  0.00,  0.00)
171: 10       (-213.303, 251.697, -120.074)  (-213.267, 251.729, -120.066)  ( 0.02,  0.01,  0.01)
171:     bond    (-198.774, -33.489, -14.358)  (-198.745, -33.469, -14.355)  ( 0.01,  0.06,  0.02)
171:     angle   (-15.676, 272.089, -97.794)  (-15.670, 272.098, -97.793)  ( 0.04,  0.00,  0.00)
171:     torsion ( -0.557,   1.730,   5.848)  ( -0.557,   1.730,   5.851)  ( 0.00,  0.03,  0.06)
171:     oop     (  0.191,  -0.578,  -1.569)  (  0.191,  -0.578,  -1.569)  ( 0.00,  0.00,  0.04)
171:     vdw     (  1.608,  11.677, -12.164)  (  1.609,  11.678, -12.164)  ( 0.03,  0.01,  0.00)
171:     electro ( -0.095,   0.269,  -0.036)  ( -0.095,   0.269,  -0.036)  ( 0.00,  0.00,  0.00)
171: 11       ( 91.395, -97.429,  11.923)  ( 91.433, -97.396,  11.930)  ( 0.04,  0.03,  0.06)
171:     bond    (205.126, -17.769,  30.132)  (205.153, -17.743,  30.136)  ( 0.01,  0.15,  0.01)
171:     angle   (-127.916, -87.978,  -9.803)  (-127.906, -87.973,  -9.802)  ( 0.01,  0.01,  0.01)
171:     torsion ( -0.628,   0.279,  -5.824)  ( -0.628,   0.280,  -5.821)  ( 0.01,  0.01,  0.05)
171:     oop     ( -0.028,   0.097,   0.238)  ( -0.028,   0.097,   0.238)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 14.867,   8.063,  -2.849)  ( 14.868,   8.063,  -2.849)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.027,  -0.120,   0.028)  ( -0.027,  -0.120,   0.028)  ( 0.00,  0.00,  0.00)
171: 12       ( -9.502,  -5.347,   2.856)  ( -9.497,  -5.334,   2.859)  ( 0.04,  0.24,  0.10)
171:     bond    ( -0.172,  -3.228,   1.215)  ( -0.171,  -3.216,   1.217)  ( 0.00,  0.39,  0.15)
171:     angle   (-17.373,   0.415,  -1.350)  (-17.370,   0.415,  -1.350)  ( 0.02,  0.00,  0.01)
171:     torsion ( -0.986,   2.554,   6.610)  ( -0.986,   2.555,   6.611)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.068,   0.230,   0.598)  ( -0.068,   0.230,   0.598)  ( 0.00,  0.00,  0.01)
171:     vdw     (  8.319,  -3.681,  -4.283)  (  8.320,  -3.681,  -4.283)  ( 0.01,  0.00,  0.00)
171:     electro (  0.778,  -1.637,   0.066)  (  0.778,  -1.637,   0.066)  ( 0.00,  0.00,  0.00)
171: 13       ( 35.280,  -2.720,   5.343)  ( 35.316,  -2.686,   5.352)  ( 0.10,  1.28,  0.16)
171:     bond    (-17.572,  68.840, -24.748)  (-17.546,  68.867, -24.745)  ( 0.15,  0.04,  0.01)
171:     angle   ( 53.028, -48.241,  22.126)  ( 53.038, -48.234,  22.127)  ( 0.02,  0.02,  0.00)
171:     torsion (  0.215,  -1.026,  -3.228)  (  0.215,  -1.025,  -3.224)  ( 0.00,  0.04,  0.12)
171:     oop     ( -0.098,   0.247,   0.753)  ( -0.098,   0.247,   0.754)  ( 0.00,  0.00,  0.05)
171:     vdw     (  4.357, -19.538,   9.903)  (  4.358, -19.538,   9.903)  ( 0.02,  0.00,  0.00)
171:     electro ( -4.650,  -3.002,   0.537)  ( -4.650,  -3.002,   0.537)  ( 0.00,  0.00,  0.00)
171: 14       (  4.875,  -2.048,   1.248)  (  4.878,  -2.035,   1.250)  ( 0.05,  0.64,  0.17)
171:     bond    ( -0.012,  -0.862,   0.280)  ( -0.012,  -0.849,   0.281)  ( 0.00,  1.12,  0.04)
171:     angle   ( -5.352,  -0.132,  -0.628)  ( -5.350,  -0.132,  -0.628)  ( 0.03,  0.00,  0.00)
171:     torsion ( -0.024,   0.064,   0.192)  ( -0.024,   0.064,   0.193)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.006,   0.017,   0.051)  ( -0.006,   0.017,   0.051)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 11.767,  -1.427,   1.446)  ( 11.768,  -1.427,   1.446)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.497,   0.293,  -0.093)  ( -1.497,   0.293,  -0.093)  ( 0.00,  0.00,  0.00)
171: 15       (-29.961, -53.287,  21.519)  (-29.949, -53.279,  21.521)  ( 0.04,  0.01,  0.01)
171:     bond    (  5.687,  -3.544,   1.953)  (  5.698,  -3.540,   1.954)  ( 0.18,  0.11,  0.06)
171:     angle   ( 17.524,  24.913,  -5.968)  ( 17.525,  24.915,  -5.968)  ( 0.01,  0.01,  0.00)
171:     torsion (  0.283,  -0.691,  -2.078)  (  0.283,  -0.691,  -2.077)  ( 0.00,  0.01,  0.04)
171:     oop     (  0.033,  -0.079,  -0.240)  (  0.033,  -0.079,  -0.240)  ( 0.00,  0.00,  0.00)
171:     vdw     (-55.285, -74.520,  28.523)  (-55.284, -74.518,  28.523)  ( 0.00,  0.00,  0.00)
171:     electro (  1.796,   0.634,  -0.671)  (  1.796,   0.634,  -0.671)  ( 0.00,  0.00,  0.00)
171: 16       (-93.458, -78.831, 108.133)  (-93.427, -78.805, 108.145)  ( 0.03,  0.03,  0.01)
171:     bond    (-86.251, -62.985,  59.792)  (-86.227, -62.966,  59.798)  ( 0.03,  0.03,  0.01)
171:     angle   ( -0.284,  -9.354,  55.228)  ( -0.278,  -9.346,  55.233)  ( 0.19,  0.08,  0.01)
171:     torsion (  4.732,  -8.367,  -0.701)  (  4.732,  -8.367,  -0.701)  ( 0.00,  0.00,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -9.001,  -3.425,  -2.168)  ( -9.000,  -3.425,  -2.168)  ( 0.00,  0.01,  0.00)
171:     electro ( -2.654,   5.299,  -4.017)  ( -2.654,   5.299,  -4.017)  ( 0.00,  0.00,  0.00)
171: 17       (-59.217,  68.094,  99.158)  (-59.200,  68.131,  99.189)  ( 0.03,  0.05,  0.03)
171:     bond    (-14.572,   8.759,  35.421)  (-14.563,   8.786,  35.442)  ( 0.06,  0.31,  0.06)
171:     angle   (-30.431,  50.753,  66.157)  (-30.424,  50.763,  66.167)  ( 0.02,  0.02,  0.01)
171:     torsion (  0.561,  -2.636,   2.948)  (  0.561,  -2.636,   2.949)  ( 0.02,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-14.500,  10.680,  -5.146)  (-14.499,  10.680,  -5.146)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.274,   0.538,  -0.223)  ( -0.274,   0.538,  -0.223)  ( 0.00,  0.00,  0.00)
171: 18       ( 18.743,   7.225,   1.367)  ( 18.754,   7.232,   1.371)  ( 0.06,  0.09,  0.24)
171:     bond    (  9.683,  -6.296,   4.710)  (  9.691,  -6.292,   4.713)  ( 0.09,  0.06,  0.05)
171:     angle   (  5.877,   8.285,  -1.025)  (  5.878,   8.287,  -1.024)  ( 0.02,  0.03,  0.02)
171:     torsion ( -0.696,   0.896,   2.626)  ( -0.696,   0.896,   2.627)  ( 0.00,  0.01,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  9.432,   9.448,  -6.296)  (  9.433,   9.448,  -6.296)  ( 0.00,  0.01,  0.00)
171:     electro ( -5.553,  -5.108,   1.352)  ( -5.553,  -5.108,   1.352)  ( 0.00,  0.00,  0.00)
171: 19       ( 31.262,  -3.433, -23.037)  ( 31.290,  -3.405, -23.010)  ( 0.09,  0.81,  0.12)
171:     bond    ( 16.659, -41.413, -39.745)  ( 16.677, -41.394, -39.726)  ( 0.11,  0.05,  0.05)
171:     angle   ( 28.813,  16.760,   6.269)  ( 28.822,  16.768,   6.277)  ( 0.03,  0.05,  0.12)
171:     torsion ( -4.337,   6.828,  -5.077)  ( -4.337,   6.828,  -5.077)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -9.694,  14.431,  15.138)  ( -9.693,  14.431,  15.138)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.179,  -0.038,   0.379)  ( -0.179,  -0.038,   0.379)  ( 0.00,  0.00,  0.00)
171: 20       ( 34.360,  72.561, -31.770)  ( 34.388,  72.590, -31.743)  ( 0.08,  0.04,  0.08)
171:     bond    (-32.639,  38.555,  -3.353)  (-32.621,  38.574,  -3.334)  ( 0.06,  0.05,  0.56)
171:     angle   ( 15.456,   2.881,  -6.003)  ( 15.465,   2.891,  -5.996)  ( 0.06,  0.32,  0.13)
171:     torsion (  1.494,  -0.570,   7.900)  (  1.494,  -0.570,   7.900)  ( 0.01,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 50.194,  32.876, -30.506)  ( 50.194,  32.877, -30.505)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.145,  -1.181,   0.192)  ( -0.145,  -1.181,   0.192)  ( 0.00,  0.00,  0.00)
171: 21       (  1.450, -13.355,  -5.871)  (  1.461, -13.349,  -5.869)  ( 0.73,  0.05,  0.04)
171:     bond    (  6.671,  -4.488,   0.587)  (  6.681,  -4.484,   0.587)  ( 0.14,  0.10,  0.01)
171:     angle   (-10.824, -17.938, -13.829)  (-10.823, -17.936, -13.827)  ( 0.01,  0.01,  0.02)
171:     torsion (  0.092,   0.258,   0.924)  (  0.092,   0.258,   0.924)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.370,   8.090,   5.502)  (  5.371,   8.090,   5.502)  ( 0.00,  0.00,  0.00)
171:     electro (  0.140,   0.723,   0.945)  (  0.140,   0.723,   0.945)  ( 0.00,  0.00,  0.00)
171: 22       (  5.351,   0.480, -12.277)  (  5.353,   0.484, -12.264)  ( 0.04,  0.18,  0.11)
171:     bond    ( -1.188,   4.315, -13.803)  ( -1.188,   4.316, -13.790)  ( 0.01,  0.03,  0.09)
171:     angle   (  6.627,  -4.394,  -1.946)  (  6.629,  -4.392,  -1.946)  ( 0.03,  0.05,  0.01)
171:     torsion (  0.961,  -1.516,  -0.557)  (  0.961,  -1.516,  -0.557)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.463,   1.716,   3.044)  ( -1.463,   1.716,   3.044)  ( 0.00,  0.00,  0.00)
171:     electro (  0.414,   0.359,   0.986)  (  0.414,   0.359,   0.986)  ( 0.00,  0.00,  0.00)
171: 23       ( -9.348,  66.052,   6.198)  ( -9.321,  66.080,   6.225)  ( 0.29,  0.04,  0.42)
171:     bond    (-15.976, -14.308,   0.725)  (-15.958, -14.290,   0.743)  ( 0.12,  0.12,  1.33)
171:     angle   (  7.263,  52.187,   0.459)  (  7.272,  52.196,   0.467)  ( 0.12,  0.02,  0.34)
171:     torsion (  1.357,   4.220,  -1.018)  (  1.357,   4.220,  -1.017)  ( 0.01,  0.01,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.052,  23.747,   5.943)  ( -2.052,  23.748,   5.943)  ( 0.00,  0.00,  0.00)
171:     electro (  0.060,   0.205,   0.089)  (  0.060,   0.205,   0.089)  ( 0.00,  0.00,  0.00)
171: 24       ( -3.458,   6.379,   4.175)  ( -3.455,   6.388,   4.182)  ( 0.08,  0.14,  0.18)
171:     bond    (  0.248,   7.426,   6.618)  (  0.248,   7.434,   6.624)  ( 0.00,  0.11,  0.09)
171:     angle   (-12.472,  -2.222,   2.957)  (-12.469,  -2.221,   2.959)  ( 0.02,  0.04,  0.04)
171:     torsion (  0.579,  -0.504,   0.544)  (  0.579,  -0.504,   0.544)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  7.907,   3.337,  -6.670)  (  7.908,   3.337,  -6.670)  ( 0.00,  0.00,  0.00)
171:     electro (  0.279,  -1.658,   0.725)  (  0.279,  -1.658,   0.725)  ( 0.00,  0.00,  0.00)
171: 25       ( 47.600, -21.511, -33.250)  ( 47.628, -21.483, -33.223)  ( 0.06,  0.13,  0.08)
171:     bond    (-16.280,  -4.390,   5.193)  (-16.262,  -4.372,   5.211)  ( 0.11,  0.42,  0.35)
171:     angle   ( 40.624,  -7.126, -26.096)  ( 40.633,  -7.117, -26.088)  ( 0.02,  0.12,  0.03)
171:     torsion (  3.611,   0.746,  -2.747)  (  3.611,   0.746,  -2.747)  ( 0.01,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 19.431, -10.560,  -9.544)  ( 19.431, -10.560,  -9.543)  ( 0.00,  0.00,  0.00)
171:     electro (  0.215,  -0.181,  -0.055)  (  0.215,  -0.181,  -0.055)  ( 0.00,  0.00,  0.00)
171: 26       (  5.897,  17.008,  -6.176)  (  5.900,  17.013,  -6.164)  ( 0.06,  0.03,  0.19)
171:     bond    ( -2.112,   4.629, -11.095)  ( -2.112,   4.631, -11.083)  ( 0.02,  0.04,  0.10)
171:     angle   (-11.054,  -0.117,   2.057)  (-11.051,  -0.115,   2.058)  ( 0.02,  0.02,  0.02)
171:     torsion ( -0.718,   1.139,   0.613)  ( -0.718,   1.140,   0.613)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 19.610,  13.361,   1.940)  ( 19.610,  13.361,   1.940)  ( 0.00,  0.00,  0.00)
171:     electro (  0.171,  -2.004,   0.309)  (  0.171,  -2.004,   0.309)  ( 0.00,  0.00,  0.00)
171: 27       (-46.185, -30.348, -10.099)  (-46.161, -30.324, -10.085)  ( 0.05,  0.08,  0.13)
171:     bond    ( -9.157,  -5.246, -10.804)  ( -9.139,  -5.228, -10.797)  ( 0.20,  0.34,  0.06)
171:     angle   (-45.617, -31.019,  -1.758)  (-45.611, -31.014,  -1.751)  ( 0.01,  0.02,  0.35)
171:     torsion ( -5.884,  -3.666,  -0.502)  ( -5.884,  -3.666,  -0.501)  ( 0.00,  0.01,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 12.543,   7.362,   1.613)  ( 12.543,   7.362,   1.613)  ( 0.00,  0.00,  0.00)
171:     electro (  1.930,   2.221,   1.352)  (  1.930,   2.221,   1.352)  ( 0.00,  0.00,  0.00)
171: 28       ( -0.909, -12.252,   5.767)  ( -0.906, -12.248,   5.779)  ( 0.28,  0.03,  0.21)
171:     bond    (  1.926,  -4.995,  11.194)  (  1.926,  -4.992,  11.206)  ( 0.02,  0.05,  0.10)
171:     angle   ( -0.582,  -7.258,  -3.133)  ( -0.579,  -7.256,  -3.133)  ( 0.15,  0.02,  0.01)
171:     torsion ( -0.574,  -4.249,  -1.795)  ( -0.574,  -4.249,  -1.795)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.864,   3.876,  -0.368)  ( -0.864,   3.876,  -0.368)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.815,   0.373,  -0.131)  ( -0.815,   0.373,  -0.131)  ( 0.00,  0.00,  0.00)
171: 29       ( -1.215,  -6.423,  -1.688)  ( -1.213,  -6.414,  -1.680)  ( 0.23,  0.14,  0.43)
171:     bond    ( -0.358,  -5.027,  -4.340)  ( -0.358,  -5.019,  -4.334)  ( 0.00,  0.16,  0.14)
171:     angle   ( -0.867,  -3.780,   4.445)  ( -0.864,  -3.779,   4.447)  ( 0.23,  0.02,  0.03)
171:     torsion (  0.009,   1.724,  -1.997)  (  0.009,   1.724,  -1.997)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.354,   0.043,  -0.205)  (  0.354,   0.043,  -0.205)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.353,   0.616,   0.409)  ( -0.353,   0.616,   0.409)  ( 0.00,  0.00,  0.00)
171: 30       ( -6.845,   0.913,   1.976)  ( -6.834,   0.918,   1.978)  ( 0.16,  0.52,  0.12)
171:     bond    ( -5.928,   3.515,  -0.385)  ( -5.918,   3.519,  -0.385)  ( 0.17,  0.10,  0.00)
171:     angle   ( -1.889,  -2.662,   4.706)  ( -1.888,  -2.660,   4.708)  ( 0.03,  0.07,  0.05)
171:     torsion (  0.545,   0.691,  -2.056)  (  0.545,   0.691,  -2.056)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.142,   0.376,  -0.048)  (  0.142,   0.376,  -0.048)  ( 0.00,  0.00,  0.00)
171:     electro (  0.286,  -1.007,  -0.241)  (  0.286,  -1.007,  -0.241)  ( 0.00,  0.00,  0.00)
171: 31       ( -8.087,  -2.126,  10.829)  ( -8.084,  -2.122,  10.842)  ( 0.03,  0.18,  0.12)
171:     bond    (  1.295,  -3.749,  11.836)  (  1.296,  -3.748,  11.849)  ( 0.02,  0.04,  0.11)
171:     angle   ( -7.992,   2.748,   1.743)  ( -7.990,   2.750,   1.744)  ( 0.03,  0.08,  0.01)
171:     torsion ( -3.829,   1.331,   0.840)  ( -3.829,   1.331,   0.840)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.640,  -1.381,  -2.928)  (  2.640,  -1.381,  -2.928)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.202,  -1.073,  -0.663)  ( -0.202,  -1.073,  -0.663)  ( 0.00,  0.00,  0.00)
171: 32       (  3.782,  -2.362,  12.697)  (  3.792,  -2.354,  12.701)  ( 0.25,  0.34,  0.03)
171:     bond    ( -2.410,  -2.075,   1.208)  ( -2.402,  -2.069,   1.210)  ( 0.34,  0.30,  0.17)
171:     angle   (  2.377,   0.318,   5.268)  (  2.378,   0.320,   5.269)  ( 0.04,  0.06,  0.02)
171:     torsion (  3.459,  -0.401,   6.184)  (  3.460,  -0.401,   6.184)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.196,  -0.114,  -0.019)  ( -0.196,  -0.114,  -0.019)  ( 0.00,  0.00,  0.00)
171:     electro (  0.552,  -0.089,   0.057)  (  0.552,  -0.089,   0.057)  ( 0.00,  0.00,  0.00)
171: 33       ( 14.707,  15.392,  24.561)  ( 14.712,  15.418,  24.561)  ( 0.03,  0.17,  0.00)
171:     bond    (  2.460,  14.832,  -0.289)  (  2.461,  14.859,  -0.288)  ( 0.03,  0.18,  0.00)
171:     angle   ( 44.102,  -7.196,   5.657)  ( 44.106,  -7.196,   5.657)  ( 0.01,  0.00,  0.00)
171:     torsion ( -3.348,   1.119,  29.067)  ( -3.348,   1.119,  29.067)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-13.195,  -1.613,  -5.003)  (-13.195,  -1.613,  -5.003)  ( 0.00,  0.00,  0.00)
171:     electro (-15.312,   8.249,  -4.872)  (-15.312,   8.249,  -4.872)  ( 0.00,  0.00,  0.00)
171: 34       ( 90.156, -169.662,   6.911)  ( 90.180, -169.641,   6.913)  ( 0.03,  0.01,  0.03)
171:     bond    (113.119, -119.745,  19.428)  (113.140, -119.731,  19.429)  ( 0.02,  0.01,  0.01)
171:     angle   ( 20.434, -27.807,   4.485)  ( 20.435, -27.801,   4.485)  ( 0.01,  0.02,  0.01)
171:     torsion (  2.332,  -0.887, -19.412)  (  2.332,  -0.887, -19.411)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-42.736, -28.761,   6.436)  (-42.735, -28.761,   6.436)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.992,   7.539,  -4.026)  ( -2.992,   7.539,  -4.026)  ( 0.00,  0.00,  0.00)
171: 35       (  2.054,  31.026,  -2.404)  (  2.065,  31.033,  -2.403)  ( 0.51,  0.02,  0.03)
171:     bond    ( 17.628,  13.996,   1.112)  ( 17.637,  14.002,   1.112)  ( 0.05,  0.04,  0.01)
171:     angle   (-21.183,  26.990,  -3.906)  (-21.182,  26.991,  -3.906)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.171,  -0.091,  -1.558)  (  0.171,  -0.091,  -1.558)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro (  5.438,  -9.868,   1.948)  (  5.438,  -9.868,   1.948)  ( 0.00,  0.00,  0.00)
171: 36       ( 19.874,  -0.962, -15.567)  ( 19.910,  -0.941, -15.541)  ( 0.18,  2.01,  0.17)
171:     bond    ( 20.777, -25.063, -11.073)  ( 20.805, -25.050, -11.056)  ( 0.13,  0.05,  0.15)
171:     angle   (  2.785,  15.055,  -3.975)  (  2.794,  15.063,  -3.965)  ( 0.31,  0.06,  0.25)
171:     torsion ( -5.968,   1.304,  -1.007)  ( -5.968,   1.303,  -1.007)  ( 0.00,  0.03,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.063,   8.544,   0.466)  (  2.063,   8.544,   0.466)  ( 0.00,  0.00,  0.00)
171:     electro (  0.216,  -0.802,   0.022)  (  0.216,  -0.802,   0.022)  ( 0.00,  0.00,  0.00)
171: 37       ( -5.930,  -4.258, -25.737)  ( -5.904,  -4.232, -25.705)  ( 0.43,  0.61,  0.13)
171:     bond    ( -2.461, -26.438, -16.460)  ( -2.444, -26.421, -16.438)  ( 0.72,  0.07,  0.13)
171:     angle   ( -1.129,  12.699, -13.147)  ( -1.122,  12.708, -13.137)  ( 0.68,  0.07,  0.08)
171:     torsion (  4.307,   3.398,   2.906)  (  4.307,   3.398,   2.906)  ( 0.01,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.798,   6.828,   1.015)  ( -6.798,   6.828,   1.015)  ( 0.00,  0.00,  0.00)
171:     electro (  0.152,  -0.745,  -0.051)  (  0.152,  -0.745,  -0.051)  ( 0.00,  0.00,  0.00)
171: 38       (  1.190,   5.045,  -6.234)  (  1.194,   5.051,  -6.225)  ( 0.39,  0.12,  0.13)
171:     bond    ( -2.309,   4.051,  -4.780)  ( -2.307,   4.057,  -4.773)  ( 0.07,  0.13,  0.15)
171:     angle   (  1.551,   1.029,   0.123)  (  1.554,   1.029,   0.124)  ( 0.19,  0.07,  0.01)
171:     torsion (  3.107,  -0.067,  -1.559)  (  3.106,  -0.067,  -1.559)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.931,  -0.156,   0.009)  ( -0.931,  -0.156,   0.009)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.227,   0.189,  -0.027)  ( -0.227,   0.189,  -0.027)  ( 0.00,  0.00,  0.00)
171: 39       ( -2.417,  -7.673,   6.179)  ( -2.408,  -7.670,   6.186)  ( 0.35,  0.04,  0.13)
171:     bond    ( -4.552,  -1.713,   4.541)  ( -4.546,  -1.712,   4.548)  ( 0.15,  0.05,  0.15)
171:     angle   (  1.497,  -7.841,  -1.454)  (  1.498,  -7.839,  -1.453)  ( 0.12,  0.02,  0.08)
171:     torsion (  2.759,  -1.370,   2.242)  (  2.759,  -1.370,   2.242)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.001,   3.070,   0.732)  ( -2.001,   3.070,   0.732)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.119,   0.181,   0.117)  ( -0.119,   0.181,   0.117)  ( 0.00,  0.00,  0.00)
171: 40       (  2.495,   5.396,  -5.771)  (  2.500,   5.404,  -5.765)  ( 0.21,  0.15,  0.09)
171:     bond    (  3.908,   5.356,  -3.020)  (  3.913,   5.364,  -3.017)  ( 0.11,  0.15,  0.08)
171:     angle   ( -1.013,   0.507,  -0.412)  ( -1.012,   0.508,  -0.409)  ( 0.12,  0.03,  0.12)
171:     torsion ( -1.277,  -0.746,  -2.982)  ( -1.277,  -0.746,  -2.982)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.905,   0.007,   0.589)  (  0.905,   0.007,   0.589)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.029,   0.272,   0.054)  ( -0.029,   0.272,   0.054)  ( 0.00,  0.00,  0.00)
171: 41       ( -0.002,  -4.405,   6.787)  (  0.000,  -4.402,   6.801)  ( 0.00,  0.06,  0.20)
171:     bond    (  1.119,  -0.900,   5.841)  (  1.120,  -0.900,   5.855)  ( 0.04,  0.03,  0.23)
171:     angle   (  0.861,  -2.684,  -0.577)  (  0.863,  -2.682,  -0.577)  ( 0.19,  0.09,  0.00)
171:     torsion ( -2.950,  -2.613,   0.162)  ( -2.950,  -2.613,   0.162)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.125,   1.757,   1.262)  (  1.125,   1.757,   1.262)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.157,   0.035,   0.098)  ( -0.157,   0.035,   0.098)  ( 0.00,  0.00,  0.00)
171: 42       (  8.231, -46.377,   3.047)  (  8.233, -46.373,   3.061)  ( 0.03,  0.01,  0.43)
171:     bond    ( -1.187,  -0.100,   3.673)  ( -1.186,  -0.100,   3.686)  ( 0.12,  0.00,  0.36)
171:     angle   (  9.928, -50.673,   1.815)  (  9.929, -50.669,   1.815)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.764,   3.743,  -0.144)  ( -0.764,   3.743,  -0.144)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.037,  -0.220,  -0.845)  (  0.037,  -0.220,  -0.844)  ( 0.00,  0.00,  0.00)
171:     electro (  0.217,   0.873,  -1.452)  (  0.217,   0.873,  -1.452)  ( 0.00,  0.00,  0.00)
171: ok 24 # gradients 
171: ok 25 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       ( 15.644, 125.382,   8.490)  ( 15.677, 125.410,   8.493)  ( 0.22,  0.02,  0.04)
171:     bond    ( 17.373,  73.022,   6.267)  ( 17.401,  73.042,   6.267)  ( 0.16,  0.03,  0.01)
171:     angle   ( -2.709,  52.504,   2.697)  ( -2.703,  52.513,   2.697)  ( 0.24,  0.02,  0.00)
171:     torsion (  0.078,   0.026,  -0.588)  (  0.078,   0.026,  -0.585)  ( 0.00,  0.00,  0.19)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.913,  -0.143,   0.026)  (  0.913,  -0.143,   0.026)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.012,  -0.028,   0.089)  ( -0.012,  -0.028,   0.089)  ( 0.00,  0.00,  0.00)
171:  2       (  3.413,   2.349,   0.643)  (  3.448,   2.385,   0.649)  ( 1.02,  1.53,  0.40)
171:     bond    (-27.832, -25.792,  -4.889)  (-27.806, -25.765,  -4.889)  ( 0.09,  0.10,  0.01)
171:     angle   ( 31.946,  28.998,   6.175)  ( 31.954,  29.007,   6.174)  ( 0.03,  0.03,  0.00)
171:     torsion (  0.090,   0.043,  -0.861)  (  0.090,   0.043,  -0.855)  ( 0.00,  0.00,  0.50)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.935,  -0.767,  -0.059)  ( -0.935,  -0.767,  -0.059)  ( 0.01,  0.00,  0.00)
171:     electro (  0.144,  -0.132,   0.277)  (  0.144,  -0.132,   0.277)  ( 0.00,  0.00,  0.00)
171:  3       (-60.076, -124.122, -11.442)  (-60.041, -124.085, -11.437)  ( 0.06,  0.03,  0.05)
171:     bond    ( -2.236, -32.032,  -2.221)  ( -2.211, -32.005,  -2.221)  ( 1.13,  0.08,  0.03)
171:     angle   (-35.495, -109.358, -13.161)  (-35.486, -109.349, -13.161)  ( 0.03,  0.01,  0.00)
171:     torsion ( -0.728,  -0.150,   6.625)  ( -0.728,  -0.150,   6.629)  ( 0.01,  0.00,  0.07)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-21.763,  17.707,  -2.867)  (-21.763,  17.708,  -2.867)  ( 0.00,  0.00,  0.00)
171:     electro (  0.146,  -0.289,   0.182)  (  0.146,  -0.289,   0.182)  ( 0.00,  0.00,  0.00)
171:  4       ( 69.645,  38.599,  20.809)  ( 69.675,  38.633,  20.812)  ( 0.04,  0.09,  0.02)
171:     bond    ( 80.610,  67.321,  13.988)  ( 80.629,  67.349,  13.988)  ( 0.02,  0.04,  0.00)
171:     angle   ( 13.985, -19.121,  10.319)  ( 13.995, -19.114,  10.320)  ( 0.07,  0.04,  0.01)
171:     torsion ( -0.030,  -0.023,  -5.570)  ( -0.030,  -0.023,  -5.568)  ( 0.00,  0.00,  0.04)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-24.861,  -9.584,   2.033)  (-24.861,  -9.584,   2.033)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.058,   0.005,   0.038)  ( -0.058,   0.005,   0.038)  ( 0.00,  0.00,  0.00)
171:  5       (-65.626,  46.637,  -7.647)  (-65.598,  46.667,  -7.621)  ( 0.04,  0.06,  0.35)
171:     bond    ( 38.092, -28.282,  -8.383)  ( 38.111, -28.263,  -8.364)  ( 0.05,  0.07,  0.22)
171:     angle   (-83.340,  67.151,  -0.747)  (-83.331,  67.161,  -0.740)  ( 0.01,  0.02,  0.49)
171:     torsion ( -0.408,   0.323,  -5.983)  ( -0.408,   0.323,  -5.982)  ( 0.01,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-20.691,   6.854,   8.178)  (-20.690,   6.854,   8.178)  ( 0.00,  0.01,  0.00)
171:     electro (  0.721,   0.593,  -0.712)  (  0.721,   0.593,  -0.712)  ( 0.00,  0.00,  0.00)
171:  6       (-84.995, -79.051, -15.103)  (-84.981, -79.036, -15.103)  ( 0.02,  0.02,  0.00)
171:     bond    (-74.810, -76.213, -12.570)  (-74.799, -76.202, -12.571)  ( 0.02,  0.01,  0.00)
171:     angle   ( -9.506,  -4.523,  -1.871)  ( -9.504,  -4.519,  -1.871)  ( 0.02,  0.07,  0.00)
171:     torsion (  0.115,   0.059,  -0.989)  (  0.115,   0.059,  -0.989)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.736,   1.636,  -0.101)  ( -0.735,   1.636,  -0.101)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.058,  -0.011,   0.428)  ( -0.058,  -0.011,   0.428)  ( 0.00,  0.00,  0.00)
171:  7       ( 40.249,  17.933,  48.945)  ( 40.274,  17.958,  48.958)  ( 0.06,  0.14,  0.03)
171:     bond    ( 40.914,  20.980,  56.184)  ( 40.932,  20.998,  56.189)  ( 0.04,  0.09,  0.01)
171:     angle   (-15.006,  10.514, -13.322)  (-14.999,  10.520, -13.316)  ( 0.04,  0.06,  0.05)
171:     torsion (  2.866,  -3.976,  -5.494)  (  2.866,  -3.976,  -5.493)  ( 0.01,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 16.577,  -2.819,  10.063)  ( 16.578,  -2.819,  10.063)  ( 0.00,  0.01,  0.00)
171:     electro ( -5.103,  -6.765,   1.515)  ( -5.103,  -6.765,   1.515)  ( 0.00,  0.00,  0.00)
171:  8       ( 12.564,  -6.466,   0.379)  ( 12.567,  -6.454,   0.384)  ( 0.02,  0.18,  0.18)
171:     bond    ( -0.079,  -3.442,   1.689)  ( -0.079,  -3.431,   1.692)  ( 0.00,  0.33,  0.16)
171:     angle   ( 28.794,  -4.274,  -7.318)  ( 28.796,  -4.274,  -7.316)  ( 0.01,  0.01,  0.03)
171:     torsion (  0.796,   0.380,   0.808)  (  0.796,   0.380,   0.808)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-17.254,   0.282,   7.059)  (-17.253,   0.282,   7.059)  ( 0.00,  0.00,  0.00)
171:     electro (  0.307,   0.588,  -1.858)  (  0.307,   0.588,  -1.858)  ( 0.00,  0.00,  0.00)
171:  9       ( 11.619,  -5.680, -13.501)  ( 11.622,  -5.677, -13.487)  ( 0.03,  0.05,  0.10)
171:     bond    ( -2.283,  -2.038, -14.456)  ( -2.282,  -2.038, -14.442)  ( 0.02,  0.02,  0.09)
171:     angle   ( 19.832,  -7.343,  -2.099)  ( 19.834,  -7.341,  -2.099)  ( 0.01,  0.03,  0.00)
171:     torsion ( -0.663,  -0.886,   0.230)  ( -0.663,  -0.885,   0.230)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.080,   3.773,   2.609)  ( -4.080,   3.773,   2.609)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.186,   0.814,   0.214)  ( -1.186,   0.814,   0.214)  ( 0.00,  0.00,  0.00)
171: 10       ( 23.620, -63.059,  12.308)  ( 23.648, -63.031,  12.335)  ( 0.12,  0.04,  0.22)
171:     bond    (-19.896,  28.244, -15.298)  (-19.878,  28.263, -15.280)  ( 0.09,  0.07,  0.12)
171:     angle   ( 31.272, -66.499,  22.060)  ( 31.282, -66.490,  22.068)  ( 0.03,  0.01,  0.03)
171:     torsion (  1.847,  -0.313,   1.869)  (  1.847,  -0.313,   1.869)  ( 0.02,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 10.372, -24.536,   3.728)  ( 10.372, -24.536,   3.728)  ( 0.01,  0.00,  0.00)
171:     electro (  0.025,   0.045,  -0.052)  (  0.025,   0.045,  -0.052)  ( 0.00,  0.00,  0.00)
171: 11       ( 41.115,  31.887,  -3.911)  ( 41.142,  31.915,  -3.885)  ( 0.07,  0.09,  0.66)
171:     bond    ( 43.968, -11.102,   3.079)  ( 43.986, -11.083,   3.097)  ( 0.04,  0.17,  0.60)
171:     angle   ( -1.014,  54.715, -13.618)  ( -1.005,  54.724, -13.611)  ( 0.92,  0.02,  0.05)
171:     torsion ( -1.031,  -0.193,   8.022)  ( -1.031,  -0.193,   8.023)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.822, -11.659,  -1.434)  ( -0.822, -11.658,  -1.434)  ( 0.00,  0.00,  0.00)
171:     electro (  0.014,   0.126,   0.040)  (  0.014,   0.126,   0.040)  ( 0.00,  0.00,  0.00)
171: 12       (  3.568,  15.659,  -4.221)  (  3.576,  15.666,  -4.218)  ( 0.25,  0.05,  0.08)
171:     bond    ( -4.418,   3.835,   1.873)  ( -4.410,   3.841,   1.875)  ( 0.16,  0.14,  0.07)
171:     angle   ( 15.924,  23.570, -10.828)  ( 15.925,  23.571, -10.826)  ( 0.01,  0.01,  0.02)
171:     torsion ( -1.226,  -2.564,   2.369)  ( -1.226,  -2.564,   2.369)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.828,  -8.424,   2.591)  ( -6.828,  -8.423,   2.591)  ( 0.00,  0.00,  0.00)
171:     electro (  0.116,  -0.758,  -0.227)  (  0.116,  -0.758,  -0.227)  ( 0.00,  0.00,  0.00)
171: 13       ( -7.792,   7.327, -12.878)  ( -7.790,   7.330, -12.864)  ( 0.03,  0.04,  0.11)
171:     bond    ( -1.370,  -1.218, -16.275)  ( -1.370,  -1.218, -16.261)  ( 0.01,  0.01,  0.09)
171:     angle   ( -7.318,  10.209,  -0.149)  ( -7.316,  10.212,  -0.149)  ( 0.03,  0.02,  0.00)
171:     torsion ( -1.000,   4.473,  -0.251)  ( -1.000,   4.473,  -0.251)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.157,  -5.003,   3.406)  (  2.157,  -5.003,   3.406)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.261,  -1.134,   0.390)  ( -0.261,  -1.134,   0.390)  ( 0.00,  0.00,  0.00)
171: 14       (  1.114,   2.225,  12.550)  (  1.117,   2.229,  12.563)  ( 0.24,  0.19,  0.10)
171:     bond    ( -0.918,   5.582,  12.387)  ( -0.918,   5.584,  12.399)  ( 0.01,  0.04,  0.09)
171:     angle   (  4.322,  -6.752,   3.360)  (  4.325,  -6.750,   3.361)  ( 0.06,  0.03,  0.01)
171:     torsion ( -1.605,   4.216,  -2.018)  ( -1.605,   4.216,  -2.018)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.450,  -1.094,  -1.045)  ( -0.449,  -1.094,  -1.045)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.235,   0.273,  -0.135)  ( -0.235,   0.273,  -0.135)  ( 0.00,  0.00,  0.00)
171: 15       (  0.602,   4.550, -10.731)  (  0.605,   4.559, -10.723)  ( 0.18,  0.19,  0.07)
171:     bond    (  2.067,   8.217,  -7.378)  (  2.068,   8.225,  -7.372)  ( 0.03,  0.09,  0.08)
171:     angle   ( -3.740,   0.483,  -0.510)  ( -3.737,   0.484,  -0.509)  ( 0.06,  0.05,  0.06)
171:     torsion (  2.245,  -3.016,  -2.735)  (  2.245,  -3.016,  -2.735)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.402,  -1.119,   0.139)  (  0.402,  -1.119,   0.139)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.373,  -0.015,  -0.247)  ( -0.373,  -0.015,  -0.247)  ( 0.00,  0.00,  0.00)
171: 16       (-12.334, -24.086,  -1.982)  (-12.320, -24.082,  -1.981)  ( 0.11,  0.02,  0.05)
171:     bond    ( -5.657,   1.477,  -0.634)  ( -5.643,   1.478,  -0.634)  ( 0.24,  0.06,  0.01)
171:     angle   ( -6.330, -25.114,  -2.201)  ( -6.330, -25.111,  -2.201)  ( 0.00,  0.01,  0.00)
171:     torsion ( -0.132,  -0.056,   1.045)  ( -0.132,  -0.056,   1.045)  ( 0.00,  0.00,  0.09)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.071,  -0.141,  -0.005)  (  0.072,  -0.141,  -0.005)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.286,  -0.251,  -0.186)  ( -0.286,  -0.251,  -0.186)  ( 0.00,  0.00,  0.00)
171: 17       ( 17.663,   7.046,   3.608)  ( 17.667,   7.061,   3.610)  ( 0.02,  0.21,  0.04)
171:     bond    ( -0.471,   5.579,   0.247)  ( -0.471,   5.593,   0.247)  ( 0.00,  0.26,  0.00)
171:     angle   ( 18.656,   1.475,   2.171)  ( 18.659,   1.475,   2.171)  ( 0.02,  0.00,  0.00)
171:     torsion ( -0.179,  -0.085,   1.574)  ( -0.178,  -0.085,   1.575)  ( 0.00,  0.00,  0.10)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.455,   0.245,  -0.061)  ( -0.455,   0.245,  -0.061)  ( 0.00,  0.00,  0.00)
171:     electro (  0.112,  -0.167,  -0.323)  (  0.112,  -0.167,  -0.323)  ( 0.00,  0.00,  0.00)
171: 18       (-13.242,  87.357, -29.874)  (-13.213,  87.386, -29.846)  ( 0.22,  0.03,  0.09)
171:     bond    (-34.100,  60.048, -72.323)  (-34.081,  60.067, -72.305)  ( 0.06,  0.03,  0.03)
171:     angle   ( 20.407,  22.661,  45.180)  ( 20.415,  22.670,  45.189)  ( 0.04,  0.04,  0.02)
171:     torsion ( -1.100,  -1.323,   1.620)  ( -1.100,  -1.322,   1.620)  ( 0.03,  0.05,  0.02)
171:     oop     (  0.091,   0.116,   0.000)  (  0.091,   0.116,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.333,   7.454,  -6.595)  ( -0.332,   7.454,  -6.594)  ( 0.01,  0.00,  0.00)
171:     electro (  1.794,  -1.599,   2.243)  (  1.794,  -1.599,   2.243)  ( 0.00,  0.00,  0.00)
171: 19       ( 29.669, -31.984, -46.828)  ( 29.694, -31.966, -46.791)  ( 0.09,  0.06,  0.08)
171:     bond    ( 26.636, -22.059, -27.238)  ( 26.652, -22.049, -27.209)  ( 0.06,  0.05,  0.11)
171:     angle   (  5.202, -28.237, -23.056)  (  5.209, -28.232, -23.047)  ( 0.13,  0.02,  0.04)
171:     torsion ( -1.939,  -2.164,  -0.218)  ( -1.937,  -2.161,  -0.218)  ( 0.09,  0.13,  0.00)
171:     oop     ( -0.059,  -0.068,   0.005)  ( -0.058,  -0.068,   0.005)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.171,  20.586,   3.668)  ( -0.170,  20.586,   3.668)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.001,  -0.042,   0.010)  ( -0.001,  -0.042,   0.010)  ( 0.00,  0.00,  0.00)
171: 20       ( -0.167, -60.187,   5.067)  ( -0.150, -60.151,   5.095)  ( 0.28,  0.06,  0.56)
171:     bond    (-13.335, -59.208,  11.009)  (-13.323, -59.181,  11.030)  ( 0.09,  0.05,  0.19)
171:     angle   (-17.127,  -8.764, -10.876)  (-17.123,  -8.755, -10.870)  ( 0.02,  0.10,  0.06)
171:     torsion (  0.375,  -0.371,  -0.858)  (  0.375,  -0.371,  -0.858)  ( 0.02,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 22.586,   9.292,   2.173)  ( 22.587,   9.293,   2.173)  ( 0.00,  0.00,  0.01)
171:     electro (  7.334,  -1.138,   3.619)  (  7.334,  -1.138,   3.619)  ( 0.00,  0.00,  0.00)
171: 21       (  4.402,  -4.198, -11.567)  (  4.405,  -4.195, -11.553)  ( 0.07,  0.07,  0.12)
171:     bond    ( -0.975,  -1.277,  -9.190)  ( -0.975,  -1.276,  -9.176)  ( 0.02,  0.02,  0.15)
171:     angle   ( 11.082, -14.956,   0.902)  ( 11.085, -14.954,   0.903)  ( 0.02,  0.02,  0.01)
171:     torsion ( -0.864,  -1.105,   0.245)  ( -0.864,  -1.104,   0.245)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -7.242,  11.589,  -2.591)  ( -7.242,  11.589,  -2.591)  ( 0.01,  0.00,  0.00)
171:     electro (  2.400,   1.551,  -0.934)  (  2.400,   1.551,  -0.934)  ( 0.00,  0.00,  0.00)
171: 22       ( -5.881,   3.913,  18.792)  ( -5.855,   3.931,  18.829)  ( 0.44,  0.45,  0.20)
171:     bond    ( 14.134,  -9.305,  74.126)  ( 14.151,  -9.296,  74.154)  ( 0.12,  0.11,  0.04)
171:     angle   (-12.973,   9.627, -31.669)  (-12.967,   9.631, -31.661)  ( 0.05,  0.04,  0.03)
171:     torsion (  1.582,   1.882,   0.008)  (  1.584,   1.886,   0.008)  ( 0.12,  0.20,  0.00)
171:     oop     (  0.113,   0.142,   0.000)  (  0.113,   0.142,   0.000)  ( 0.00,  0.01,  0.00)
171:     vdw     (-10.457,   3.861, -23.405)  (-10.457,   3.861, -23.404)  ( 0.00,  0.01,  0.00)
171:     electro (  1.720,  -2.294,  -0.268)  (  1.720,  -2.294,  -0.268)  ( 0.00,  0.00,  0.00)
171: 23       (-13.869,   8.487,  10.338)  (-13.842,   8.506,  10.373)  ( 0.19,  0.21,  0.34)
171:     bond    (-21.743,  16.102,  21.542)  (-21.724,  16.113,  21.567)  ( 0.09,  0.07,  0.11)
171:     angle   (  6.141,  -4.220,  14.969)  (  6.146,  -4.217,  14.978)  ( 0.08,  0.07,  0.06)
171:     torsion ( -0.978,  -1.333,   0.050)  ( -0.976,  -1.329,   0.050)  ( 0.20,  0.28,  0.00)
171:     oop     ( -0.037,  -0.048,  -0.000)  ( -0.037,  -0.048,  -0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.075,  -1.504, -26.495)  (  2.075,  -1.504, -26.494)  ( 0.00,  0.00,  0.00)
171:     electro (  0.673,  -0.510,   0.273)  (  0.673,  -0.510,   0.273)  ( 0.00,  0.00,  0.00)
171: 24       ( -2.882,   2.485,   6.856)  ( -2.857,   2.502,   6.893)  ( 0.86,  0.69,  0.55)
171:     bond    ( -9.995,   7.266,  14.600)  ( -9.979,   7.275,  14.630)  ( 0.16,  0.13,  0.20)
171:     angle   ( -9.417,   7.281,   0.557)  ( -9.411,   7.285,   0.565)  ( 0.06,  0.05,  0.46)
171:     torsion (  0.613,   0.764,   0.016)  (  0.615,   0.768,   0.016)  ( 0.13,  0.28,  0.00)
171:     oop     ( -0.209,  -0.275,  -0.005)  ( -0.208,  -0.274,  -0.005)  ( 0.01,  0.01,  0.00)
171:     vdw     ( 16.237, -12.583,  -8.371)  ( 16.237, -12.583,  -8.371)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.111,   0.031,   0.058)  ( -0.111,   0.031,   0.058)  ( 0.00,  0.00,  0.00)
171: 25       (-13.655,  11.112,  -5.298)  (-13.630,  11.129,  -5.261)  ( 0.18,  0.16,  0.70)
171:     bond    (-36.528,  28.512,   0.130)  (-36.511,  28.523,   0.158)  ( 0.05,  0.04,  0.36)
171:     angle   (  5.526,  -3.478, -23.723)  (  5.531,  -3.475, -23.714)  ( 0.10,  0.10,  0.04)
171:     torsion ( -0.331,  -0.396,   0.008)  ( -0.329,  -0.392,   0.008)  ( 0.07,  0.14,  0.00)
171:     oop     (  0.226,   0.291,   0.007)  (  0.227,   0.292,   0.007)  ( 0.01,  0.01,  0.00)
171:     vdw     ( 17.509, -13.776,  18.233)  ( 17.510, -13.776,  18.233)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.058,  -0.042,   0.047)  ( -0.058,  -0.042,   0.047)  ( 0.00,  0.00,  0.00)
171: 26       ( 11.326, -10.841, -10.424)  ( 11.351, -10.824, -10.389)  ( 0.22,  0.16,  0.33)
171:     bond    (-10.517,   8.981, -69.682)  (-10.498,   8.993, -69.658)  ( 0.18,  0.13,  0.03)
171:     angle   ( 24.194, -18.411,  33.216)  ( 24.197, -18.409,  33.227)  ( 0.01,  0.01,  0.03)
171:     torsion ( -2.207,  -3.030,  -0.271)  ( -2.206,  -3.027,  -0.271)  ( 0.08,  0.09,  0.00)
171:     oop     ( -0.486,  -0.621,  -0.019)  ( -0.485,  -0.620,  -0.019)  ( 0.01,  0.02,  0.00)
171:     vdw     (  0.550,   1.323,  26.631)  (  0.550,   1.323,  26.631)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.207,   0.917,  -0.300)  ( -0.207,   0.917,  -0.300)  ( 0.00,  0.00,  0.00)
171: 27       (  2.749,   1.070,   9.025)  (  2.757,   1.075,   9.033)  ( 0.26,  0.44,  0.09)
171:     bond    (  3.982,  -2.885,   4.072)  (  3.988,  -2.882,   4.078)  ( 0.14,  0.10,  0.14)
171:     angle   ( -7.527,   5.758,  11.429)  ( -7.527,   5.758,  11.431)  ( 0.01,  0.01,  0.02)
171:     torsion (  4.283,   5.791,  -0.095)  (  4.284,   5.792,  -0.095)  ( 0.01,  0.02,  0.00)
171:     oop     (  0.007,   0.010,  -0.000)  (  0.007,   0.010,  -0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.020, -10.163,  -7.420)  (  5.020, -10.163,  -7.420)  ( 0.00,  0.00,  0.00)
171:     electro ( -3.016,   2.559,   1.039)  ( -3.016,   2.559,   1.039)  ( 0.00,  0.00,  0.00)
171: 28       ( -1.597,   3.334,   2.891)  ( -1.590,   3.339,   2.898)  ( 0.44,  0.15,  0.26)
171:     bond    ( -1.478,   1.180,  -1.445)  ( -1.473,   1.184,  -1.440)  ( 0.38,  0.30,  0.37)
171:     angle   ( -3.422,   2.568,   5.608)  ( -3.421,   2.569,   5.610)  ( 0.02,  0.02,  0.04)
171:     torsion (  0.962,   1.225,   0.023)  (  0.962,   1.226,   0.023)  ( 0.05,  0.07,  0.00)
171:     oop     (  0.025,   0.031,   0.001)  (  0.025,   0.031,   0.001)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.500,  -1.901,  -1.857)  (  2.500,  -1.901,  -1.857)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.183,   0.230,   0.561)  ( -0.183,   0.230,   0.561)  ( 0.00,  0.00,  0.00)
171: 29       ( -8.733,  10.082,  10.040)  ( -8.731,  10.083,  10.053)  ( 0.02,  0.01,  0.14)
171:     bond    (  0.030,  -0.009,  -0.395)  (  0.030,  -0.009,  -0.381)  ( 0.00,  0.00,  0.53)
171:     angle   (-24.364,  18.884,  -2.337)  (-24.363,  18.885,  -2.337)  ( 0.00,  0.00,  0.00)
171:     torsion (  2.811,   3.678,   0.138)  (  2.811,   3.678,   0.138)  ( 0.01,  0.01,  0.00)
171:     oop     (  0.174,   0.219,   0.009)  (  0.174,   0.219,   0.009)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.058, -12.723,  12.965)  ( 13.058, -12.723,  12.965)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.441,   0.033,  -0.340)  ( -0.441,   0.033,  -0.340)  ( 0.00,  0.00,  0.00)
171: 30       ( -0.964,  -2.347,   0.145)  ( -0.961,  -2.344,   0.159)  ( 0.28,  0.10,  0.21)
171:     bond    ( -0.121,   0.081,   1.060)  ( -0.121,   0.082,   1.075)  ( 0.00,  0.00,  1.33)
171:     angle   (  0.934,  -0.710,   0.159)  (  0.936,  -0.709,   0.159)  ( 0.20,  0.09,  0.00)
171:     torsion ( -1.521,  -2.022,  -0.018)  ( -1.520,  -2.021,  -0.018)  ( 0.03,  0.04,  0.00)
171:     oop     (  0.048,   0.063,   0.001)  (  0.048,   0.063,   0.001)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.034,  -0.007,  -0.386)  (  0.034,  -0.007,  -0.386)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.338,   0.248,  -0.671)  ( -0.338,   0.248,  -0.671)  ( 0.00,  0.00,  0.00)
171: 31       ( -0.226,  -0.578,  -0.060)  ( -0.218,  -0.573,  -0.055)  ( 0.20,  0.33,  0.03)
171:     bond    ( -0.498,   0.367,   0.247)  ( -0.491,   0.372,   0.249)  ( 0.39,  0.17,  0.05)
171:     angle   (  0.007,  -0.017,   0.037)  (  0.008,  -0.017,   0.040)  ( 0.00,  0.00,  0.01)
171:     torsion ( -0.479,  -0.623,  -0.015)  ( -0.479,  -0.622,  -0.015)  ( 0.02,  0.05,  0.00)
171:     oop     (  0.104,   0.136,   0.002)  (  0.104,   0.136,   0.002)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.295,  -0.221,  -0.167)  (  0.295,  -0.221,  -0.167)  ( 0.00,  0.00,  0.00)
171:     electro (  0.345,  -0.221,  -0.163)  (  0.345,  -0.221,  -0.163)  ( 0.00,  0.00,  0.00)
171: 32       (-25.368, -58.445,  -4.168)  (-25.360, -58.428,  -4.159)  ( 0.03,  0.03,  0.21)
171:     bond    (-37.897, -54.343, -32.702)  (-37.889, -54.328, -32.697)  ( 0.02,  0.03,  0.02)
171:     angle   ( -0.340,   0.990,  -1.257)  ( -0.340,   0.992,  -1.254)  ( 0.01,  0.15,  0.18)
171:     torsion ( -0.962,   0.342,   0.547)  ( -0.962,   0.342,   0.547)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 19.496,  -8.517,  36.588)  ( 19.496,  -8.517,  36.589)  ( 0.00,  0.00,  0.00)
171:     electro ( -5.665,   3.083,  -7.343)  ( -5.665,   3.083,  -7.343)  ( 0.00,  0.00,  0.00)
171: 33       ( 51.394,   5.706,  80.344)  ( 51.402,   5.723,  80.362)  ( 0.02,  0.30,  0.02)
171:     bond    ( 38.088, -37.097,  84.704)  ( 38.092, -37.086,  84.720)  ( 0.01,  0.03,  0.02)
171:     angle   ( 10.741,   8.517,  10.383)  ( 10.744,   8.522,  10.385)  ( 0.03,  0.06,  0.02)
171:     torsion ( -4.202,   1.286,   2.601)  ( -4.201,   1.286,   2.601)  ( 0.02,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  7.730,  29.919, -16.938)  (  7.730,  29.920, -16.938)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.963,   3.081,  -0.405)  ( -0.963,   3.081,  -0.405)  ( 0.00,  0.00,  0.00)
171: 34       (-37.323,  42.276, -81.401)  (-37.296,  42.302, -81.374)  ( 0.07,  0.06,  0.03)
171:     bond    (  0.211,  32.125, -12.515)  (  0.230,  32.142, -12.497)  ( 0.40,  0.06,  0.14)
171:     angle   (-22.919,   5.660, -35.599)  (-22.912,   5.669, -35.591)  ( 0.03,  0.15,  0.02)
171:     torsion (  2.511,  -1.101,  -2.384)  (  2.511,  -1.101,  -2.384)  ( 0.01,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-17.970,   6.141, -32.380)  (-17.970,   6.141, -32.379)  ( 0.00,  0.00,  0.00)
171:     electro (  0.844,  -0.549,   1.478)  (  0.844,  -0.549,   1.478)  ( 0.00,  0.00,  0.00)
171: 35       (  1.767,   0.470,   1.804)  (  1.772,   0.473,   1.816)  ( 0.28,  0.12,  0.62)
171:     bond    (  1.023,   0.055,   1.841)  (  1.026,   0.055,   1.852)  ( 0.32,  0.00,  0.58)
171:     angle   (  0.771,   0.161,  -0.434)  (  0.773,   0.164,  -0.433)  ( 0.12,  0.04,  0.02)
171:     torsion ( -0.225,   0.060,   0.123)  ( -0.225,   0.060,   0.123)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.081,  -0.268,   0.349)  (  0.081,  -0.268,   0.349)  ( 0.00,  0.00,  0.00)
171:     electro (  0.117,   0.463,  -0.075)  (  0.117,   0.463,  -0.075)  ( 0.00,  0.00,  0.00)
171: 36       (  8.993,  -2.785,   7.348)  (  8.998,  -2.777,   7.354)  ( 0.05,  0.27,  0.09)
171:     bond    (  1.748,  -2.436,  -2.251)  (  1.751,  -2.430,  -2.246)  ( 0.18,  0.24,  0.23)
171:     angle   (  8.379,  -4.308,  11.192)  (  8.381,  -4.306,  11.194)  ( 0.02,  0.03,  0.01)
171:     torsion (  0.616,   0.128,   0.342)  (  0.616,   0.128,   0.342)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.850,   3.192,  -2.499)  ( -2.850,   3.192,  -2.499)  ( 0.00,  0.00,  0.00)
171:     electro (  1.100,   0.638,   0.563)  (  1.100,   0.638,   0.563)  ( 0.00,  0.00,  0.00)
171: 37       (  3.026,  -2.642,  10.074)  (  3.039,  -2.638,  10.077)  ( 0.42,  0.13,  0.03)
171:     bond    ( -2.126,  -0.638,   0.376)  ( -2.114,  -0.637,   0.376)  ( 0.59,  0.07,  0.02)
171:     angle   (  4.279,  -5.791,  14.230)  (  4.279,  -5.789,  14.232)  ( 0.01,  0.04,  0.01)
171:     torsion (  0.003,   0.027,   0.062)  (  0.003,   0.027,   0.062)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.227,   3.093,  -5.770)  (  0.227,   3.093,  -5.770)  ( 0.00,  0.00,  0.00)
171:     electro (  0.644,   0.667,   1.176)  (  0.644,   0.667,   1.176)  ( 0.00,  0.00,  0.00)
171: ok 26 # gradients 
171: ok 27 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
171:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
171:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
171:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
171:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
171:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
171:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
171:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
171:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
171:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
171:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
171:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
171:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
171:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
171:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
171:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
171:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
171:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
171:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
171:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
171:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
171:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
171:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
171:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
171:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
171:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
171:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
171:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
171:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
171:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
171:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
171:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
171:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
171:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
171:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
171:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
171:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
171:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
171:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
171:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
171:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
171:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
171:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
171:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
171:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
171:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
171:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
171:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
171:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
171:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
171:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
171:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
171: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
171:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
171:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
171:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
171:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
171: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
171:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
171:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
171:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
171:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
171:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
171: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
171:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
171:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
171:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
171:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
171: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
171:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
171:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
171:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
171:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
171:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
171: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
171:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
172:     bond    (-35.273, -59.048,  -4.681)  (-35.239, -59.012,  -4.645)  ( 0.10,  0.06,  0.77)
172:     angle   (  2.958,  -4.652,  -6.413)  (  2.968,  -4.643,  -6.403)  ( 0.35,  0.21,  0.15)
172:     torsion (-10.119,   7.010,  -5.676)  (-10.119,   7.010,  -5.676)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.723,  -1.168,   1.011)  ( -0.723,  -1.168,   1.011)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       (-100.883,  87.937,  23.820)  (-100.833,  87.984,  23.865)  ( 0.05,  0.05,  0.19)
172:     bond    (-17.248,  54.348,  -8.568)  (-17.211,  54.384,  -8.534)  ( 0.21,  0.07,  0.40)
172:     angle   (-68.485,  29.034,  43.678)  (-68.473,  29.044,  43.688)  ( 0.02,  0.04,  0.02)
172:     torsion (-12.304,   3.441,  -6.010)  (-12.304,   3.441,  -6.009)  ( 0.00,  0.01,  0.01)
172:     vdw     ( -2.845,   1.115,  -5.280)  ( -2.845,   1.115,  -5.280)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       ( 83.272,  35.908, -40.149)  ( 83.320,  35.955, -40.100)  ( 0.06,  0.13,  0.12)
172:     bond    ( 87.746, -16.745,  66.765)  ( 87.783, -16.709,  66.800)  ( 0.04,  0.21,  0.05)
172:     angle   ( -1.809,  46.196, -96.218)  ( -1.799,  46.206, -96.206)  ( 0.56,  0.02,  0.01)
172:     torsion (  0.427,   6.068,  -7.908)  (  0.427,   6.068,  -7.908)  ( 0.01,  0.01,  0.01)
172:     vdw     ( -3.092,   0.390,  -2.787)  ( -3.091,   0.390,  -2.787)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       ( 89.504, -10.397,  77.576)  ( 89.552, -10.348,  77.622)  ( 0.05,  0.47,  0.06)
172:     bond    (123.465,  45.957,   9.509)  (123.502,  45.993,   9.544)  ( 0.03,  0.08,  0.38)
172:     angle   (-29.372, -47.675,  85.067)  (-29.361, -47.662,  85.076)  ( 0.04,  0.03,  0.01)
172:     torsion ( -2.621,  -5.704, -17.085)  ( -2.620,  -5.703, -17.083)  ( 0.01,  0.01,  0.01)
172:     vdw     ( -1.968,  -2.976,   0.085)  ( -1.968,  -2.976,   0.085)  ( 0.01,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-16.876, 120.283, -38.120)  (-16.799, 120.339, -38.106)  ( 0.46,  0.05,  0.03)
172:     bond    (-49.888, 112.320, -15.047)  (-49.824, 112.364, -15.045)  ( 0.13,  0.04,  0.02)
172:     angle   ( 29.879,  10.202, -44.047)  ( 29.891,  10.213, -44.044)  ( 0.04,  0.11,  0.01)
172:     torsion (  2.169,   4.373,  21.249)  (  2.169,   4.374,  21.256)  ( 0.01,  0.01,  0.03)
172:     vdw     (  0.964,  -6.612,  -0.274)  (  0.964,  -6.612,  -0.274)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (-12.755,  -8.547,  19.128)  (-12.683,  -8.491,  19.140)  ( 0.56,  0.65,  0.07)
172:     bond    (-33.935,  21.618,  -4.334)  (-33.870,  21.663,  -4.332)  ( 0.19,  0.21,  0.04)
172:     angle   ( 18.512, -26.882,  13.525)  ( 18.518, -26.871,  13.527)  ( 0.03,  0.04,  0.01)
172:     torsion ( -1.569,  -1.258,   8.280)  ( -1.569,  -1.258,   8.289)  ( 0.00,  0.02,  0.11)
172:     vdw     (  3.877,  -1.998,   1.768)  (  3.877,  -1.997,   1.768)  ( 0.00,  0.01,  0.00)
172:     electro (  0.360,  -0.027,  -0.111)  (  0.360,  -0.027,  -0.111)  ( 0.00,  0.00,  0.00)
172:  7       ( 16.723, -19.158, -22.610)  ( 16.771, -19.109, -22.565)  ( 0.29,  0.25,  0.20)
172:     bond    (-40.310,  17.683,   2.533)  (-40.275,  17.720,   2.569)  ( 0.09,  0.21,  1.42)
172:     angle   ( 56.487, -28.902, -14.426)  ( 56.499, -28.891, -14.419)  ( 0.02,  0.04,  0.05)
172:     torsion (  0.746,  -4.538, -14.758)  (  0.747,  -4.538, -14.757)  ( 0.02,  0.00,  0.01)
172:     vdw     ( -0.200,  -3.401,   4.042)  ( -0.200,  -3.401,   4.043)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (-77.334,  40.329,  40.858)  (-77.286,  40.377,  40.905)  ( 0.06,  0.12,  0.12)
172:     bond    (-39.454,  13.633, -79.926)  (-39.418,  13.669, -79.890)  ( 0.09,  0.26,  0.05)
172:     angle   (-37.693,  29.316, 117.397)  (-37.682,  29.327, 117.407)  ( 0.03,  0.04,  0.01)
172:     torsion ( -2.457,  -0.129,   5.851)  ( -2.457,  -0.129,   5.852)  ( 0.02,  0.01,  0.02)
172:     vdw     (  2.270,  -2.491,  -2.463)  (  2.271,  -2.491,  -2.463)  ( 0.01,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  9       (-32.727,  72.726, -92.423)  (-32.676,  72.773, -92.377)  ( 0.15,  0.06,  0.05)
172:     bond    (-70.963,  69.134, -38.807)  (-70.925,  69.169, -38.773)  ( 0.05,  0.05,  0.09)
172:     angle   ( 35.155,  12.704, -44.465)  ( 35.166,  12.715, -44.454)  ( 0.03,  0.09,  0.02)
172:     torsion (  1.189,  -6.727, -14.033)  (  1.189,  -6.727, -14.032)  ( 0.04,  0.01,  0.01)
172:     vdw     (  1.893,  -2.384,   4.882)  (  1.893,  -2.384,   4.882)  ( 0.01,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 10       ( 44.464, -48.929,  61.410)  ( 44.508, -48.879,  61.457)  ( 0.10,  0.10,  0.08)
172:     bond    ( 67.926,  38.675,   8.425)  ( 67.960,  38.713,   8.462)  ( 0.05,  0.10,  0.44)
172:     angle   (-27.457, -76.524,  61.567)  (-27.447, -76.512,  61.578)  ( 0.04,  0.02,  0.02)
172:     torsion ( -0.580,  -7.062,  -4.838)  ( -0.580,  -7.062,  -4.838)  ( 0.01,  0.00,  0.00)
172:     vdw     (  4.575,  -4.018,  -3.745)  (  4.575,  -4.018,  -3.744)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       ( 38.280,  17.925,   3.568)  ( 38.330,  17.968,   3.615)  ( 0.13,  0.24,  1.30)
172:     bond    (-69.082, -10.191, -36.229)  (-69.044, -10.157, -36.192)  ( 0.05,  0.33,  0.10)
172:     angle   (107.978,  26.787,  34.426)  (107.991,  26.797,  34.436)  ( 0.01,  0.04,  0.03)
172:     torsion ( -1.672,   4.500,   7.054)  ( -1.673,   4.500,   7.054)  ( 0.01,  0.00,  0.00)
172:     vdw     (  1.056,  -3.172,  -1.683)  (  1.056,  -3.172,  -1.683)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (-98.542,  74.045,   2.083)  (-98.495,  74.097,   2.128)  ( 0.05,  0.07,  2.18)
172:     bond    (-141.621, 186.409,  73.122)  (-141.586, 186.449,  73.158)  ( 0.02,  0.02,  0.05)
172:     angle   ( 34.325, -116.783, -77.784)  ( 34.337, -116.772, -77.775)  ( 0.03,  0.01,  0.01)
172:     torsion (  5.221,   5.365,   2.771)  (  5.221,   5.366,   2.771)  ( 0.00,  0.01,  0.01)
172:     vdw     (  3.533,  -0.946,   3.974)  (  3.533,  -0.946,   3.974)  ( 0.00,  0.02,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       ( 36.346, -83.238,  61.357)  ( 36.394, -83.190,  61.402)  ( 0.13,  0.06,  0.07)
172:     bond    (147.059, -249.016,  46.400)  (147.096, -248.980,  46.437)  ( 0.03,  0.01,  0.08)
172:     angle   (-110.087, 158.572,  20.299)  (-110.076, 158.583,  20.307)  ( 0.01,  0.01,  0.04)
172:     torsion ( -0.419,   7.923,  -3.565)  ( -0.419,   7.923,  -3.565)  ( 0.01,  0.01,  0.01)
172:     vdw     ( -0.207,  -0.717,  -1.777)  ( -0.207,  -0.717,  -1.777)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 14       (-48.694, -19.654, -22.015)  (-48.645, -19.604, -21.969)  ( 0.10,  0.25,  0.21)
172:     bond    (-177.197, 144.883, -85.836)  (-177.159, 144.920, -85.800)  ( 0.02,  0.03,  0.04)
172:     angle   (124.575, -165.352,  61.932)  (124.586, -165.340,  61.941)  ( 0.01,  0.01,  0.01)
172:     torsion (  3.993,  -1.169,  -0.328)  (  3.993,  -1.169,  -0.328)  ( 0.01,  0.03,  0.02)
172:     vdw     ( -0.065,   1.984,   2.217)  ( -0.065,   1.985,   2.217)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 15       (-71.792, -15.511,   1.596)  (-71.745, -15.461,   1.641)  ( 0.07,  0.32,  2.85)
172:     bond    ( 20.082, -185.807,  55.479)  ( 20.118, -185.771,  55.516)  ( 0.18,  0.02,  0.07)
172:     angle   (-91.970, 175.343, -54.362)  (-91.959, 175.356, -54.354)  ( 0.01,  0.01,  0.01)
172:     torsion ( -3.370,   1.693,  -3.891)  ( -3.369,   1.694,  -3.891)  ( 0.01,  0.02,  0.02)
172:     vdw     (  3.466,  -6.740,   4.370)  (  3.466,  -6.740,   4.370)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 16       ( 51.385, -21.587,  21.356)  ( 51.434, -21.539,  21.402)  ( 0.10,  0.22,  0.21)
172:     bond    (-19.694, 121.030, -58.118)  (-19.656, 121.065, -58.081)  ( 0.19,  0.03,  0.06)
172:     angle   ( 69.837, -141.903,  61.310)  ( 69.849, -141.891,  61.318)  ( 0.02,  0.01,  0.01)
172:     torsion (  2.559,  -0.466,  18.458)  (  2.560,  -0.466,  18.459)  ( 0.00,  0.02,  0.00)
172:     vdw     ( -1.318,  -0.247,  -0.294)  ( -1.318,  -0.247,  -0.294)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 17       (-10.253, -102.133, -51.010)  (-10.207, -102.084, -50.966)  ( 0.45,  0.05,  0.09)
172:     bond    (-28.447, -159.003,  29.684)  (-28.413, -158.965,  29.719)  ( 0.12,  0.02,  0.12)
172:     angle   ( 12.943,  52.128, -74.991)  ( 12.954,  52.138, -74.982)  ( 0.09,  0.02,  0.01)
172:     torsion (  3.356,   4.210,  -5.951)  (  3.357,   4.210,  -5.951)  ( 0.01,  0.01,  0.01)
172:     vdw     (  1.895,   0.533,   0.247)  (  1.895,   0.533,   0.247)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 18       (-54.928, 102.095,  29.273)  (-54.879, 102.144,  29.321)  ( 0.09,  0.05,  0.16)
172:     bond    ( 11.301,  32.987,  -2.137)  ( 11.337,  33.023,  -2.101)  ( 0.32,  0.11,  1.69)
172:     angle   (-69.740,  63.731,  23.901)  (-69.728,  63.743,  23.912)  ( 0.02,  0.02,  0.05)
172:     torsion (  5.988,   1.482,   9.002)  (  5.988,   1.482,   9.002)  ( 0.00,  0.01,  0.01)
172:     vdw     ( -2.477,   3.896,  -1.492)  ( -2.477,   3.896,  -1.492)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 19       ( 69.073,  20.711,  31.491)  ( 69.123,  20.760,  31.539)  ( 0.07,  0.24,  0.15)
172:     bond    (-21.798,  14.016,  -5.128)  (-21.761,  14.052,  -5.092)  ( 0.17,  0.26,  0.70)
172:     angle   ( 80.219,   8.337,  47.063)  ( 80.232,   8.349,  47.075)  ( 0.02,  0.15,  0.02)
172:     torsion (  3.727,  -2.310,  -8.511)  (  3.727,  -2.310,  -8.511)  ( 0.00,  0.02,  0.00)
172:     vdw     (  6.925,   0.668,  -1.933)  (  6.925,   0.668,  -1.933)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       ( -7.171,  23.454, -62.548)  ( -7.123,  23.503, -62.499)  ( 0.67,  0.21,  0.08)
172:     bond    ( 23.122, -25.258,  29.921)  ( 23.158, -25.222,  29.958)  ( 0.16,  0.14,  0.12)
172:     angle   (-11.516,  45.007, -87.338)  (-11.504,  45.019, -87.325)  ( 0.10,  0.03,  0.01)
172:     torsion ( -9.097,  -1.641,   0.497)  ( -9.097,  -1.640,   0.497)  ( 0.00,  0.02,  0.00)
172:     vdw     ( -9.681,   5.346,  -5.628)  ( -9.680,   5.346,  -5.628)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 21       (144.865, -30.438, -24.155)  (144.917, -30.393, -24.106)  ( 0.04,  0.15,  0.20)
172:     bond    (239.288,   1.092, -29.295)  (239.327,   1.126, -29.259)  ( 0.02,  3.11,  0.12)
172:     angle   (-88.078, -27.976,   1.591)  (-88.067, -27.965,   1.604)  ( 0.01,  0.04,  0.78)
172:     torsion ( -7.170,  -3.843,   5.011)  ( -7.169,  -3.842,   5.012)  ( 0.01,  0.02,  0.01)
172:     vdw     (  0.825,   0.289,  -1.463)  (  0.825,   0.289,  -1.463)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 22       (-20.334,   2.956,  65.639)  (-20.286,   3.004,  65.690)  ( 0.24,  1.64,  0.08)
172:     bond    ( 19.005, -37.785, -74.502)  ( 19.040, -37.749, -74.464)  ( 0.19,  0.10,  0.05)
172:     angle   (-42.069,  41.502, 132.387)  (-42.057,  41.514, 132.400)  ( 0.03,  0.03,  0.01)
172:     torsion (  2.721,  -5.226,   2.966)  (  2.721,  -5.225,   2.966)  ( 0.02,  0.01,  0.00)
172:     vdw     (  0.010,   4.465,   4.787)  (  0.010,   4.465,   4.787)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 23       (-11.747,  14.520, -78.438)  (-11.700,  14.568, -78.390)  ( 0.40,  0.33,  0.06)
172:     bond    (-71.103, -56.281,  36.238)  (-71.066, -56.245,  36.274)  ( 0.05,  0.06,  0.10)
172:     angle   ( 64.964,  52.726, -106.755)  ( 64.974,  52.736, -106.743)  ( 0.02,  0.02,  0.01)
172:     torsion ( -1.038,  13.634,  -5.367)  ( -1.037,  13.635,  -5.367)  ( 0.03,  0.01,  0.01)
172:     vdw     ( -4.571,   4.440,  -2.554)  ( -4.571,   4.441,  -2.554)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 24       (-32.475,  31.345,  32.192)  (-32.426,  31.394,  32.237)  ( 0.15,  0.16,  0.14)
172:     bond    (102.715, -66.398, -21.758)  (102.751, -66.360, -21.722)  ( 0.03,  0.06,  0.16)
172:     angle   (-123.808,  88.959,  53.785)  (-123.795,  88.970,  53.794)  ( 0.01,  0.01,  0.02)
172:     torsion (-10.267,   8.070,   8.876)  (-10.266,   8.070,   8.877)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -1.115,   0.714,  -8.712)  ( -1.115,   0.714,  -8.711)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 25       (-103.569, -128.136,  25.148)  (-103.521, -128.087,  25.195)  ( 0.05,  0.04,  0.19)
172:     bond    (-211.119, -73.410, 130.098)  (-211.083, -73.372, 130.134)  ( 0.02,  0.05,  0.03)
172:     angle   (101.310, -53.221, -82.739)  (101.321, -53.210, -82.729)  ( 0.01,  0.02,  0.01)
172:     torsion (  5.623,  -5.739, -21.891)  (  5.624,  -5.739, -21.890)  ( 0.01,  0.01,  0.00)
172:     vdw     (  0.617,   4.234,  -0.319)  (  0.617,   4.234,  -0.319)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 26       (148.003, -52.584, -46.357)  (148.054, -52.537, -46.309)  ( 0.03,  0.09,  0.10)
172:     bond    (221.998, -39.244, -98.043)  (222.035, -39.208, -98.006)  ( 0.02,  0.09,  0.04)
172:     angle   (-70.313, -11.690,  49.482)  (-70.300, -11.680,  49.490)  ( 0.02,  0.09,  0.02)
172:     torsion ( -2.951,  -1.563,   3.076)  ( -2.951,  -1.562,   3.078)  ( 0.01,  0.06,  0.06)
172:     vdw     ( -0.731,  -0.087,  -0.871)  ( -0.731,  -0.086,  -0.871)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 27       (-28.670,   8.134,  59.350)  (-28.622,   8.183,  59.400)  ( 0.17,  0.60,  0.09)
172:     bond    ( 16.428, -45.067, -62.295)  ( 16.463, -45.031, -62.257)  ( 0.22,  0.08,  0.06)
172:     angle   (-41.522,  59.612, 114.960)  (-41.510,  59.624, 114.973)  ( 0.03,  0.02,  0.01)
172:     torsion ( -2.101,  -4.714,   1.575)  ( -2.100,  -4.713,   1.575)  ( 0.02,  0.01,  0.01)
172:     vdw     ( -1.474,  -1.697,   5.109)  ( -1.474,  -1.697,   5.109)  ( 0.02,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 28       (-65.776, -116.444, -168.849)  (-65.743, -116.432, -168.814)  ( 0.05,  0.01,  0.02)
172:     bond    (-91.400, -64.178, -145.605)  (-91.369, -64.168, -145.576)  ( 0.03,  0.02,  0.02)
172:     angle   (  5.291,   5.909, -19.982)  (  5.292,   5.911, -19.975)  ( 0.03,  0.03,  0.03)
172:     torsion ( 24.755, -54.327,  -0.890)  ( 24.755, -54.327,  -0.890)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -4.356,  -3.531,  -2.419)  ( -4.356,  -3.531,  -2.419)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.065,  -0.317,   0.047)  ( -0.065,  -0.317,   0.047)  ( 0.00,  0.00,  0.00)
172: 29       ( 13.541,  -1.375,  14.413)  ( 13.545,  -1.368,  14.436)  ( 0.03,  0.57,  0.16)
172:     bond    ( -2.527,   6.305,  13.258)  ( -2.526,   6.310,  13.280)  ( 0.03,  0.08,  0.17)
172:     angle   ( -1.790,  -7.991,   3.455)  ( -1.787,  -7.989,   3.456)  ( 0.15,  0.03,  0.02)
172:     torsion ( 11.156,   1.862,   1.237)  ( 11.156,   1.862,   1.237)  ( 0.00,  0.01,  0.00)
172:     vdw     (  6.701,  -1.551,  -3.538)  (  6.702,  -1.551,  -3.538)  ( 0.01,  0.02,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 30       ( 13.658,   3.967,   4.154)  ( 13.663,   3.973,   4.179)  ( 0.04,  0.14,  0.60)
172:     bond    ( -4.385,   6.385,  21.147)  ( -4.384,   6.387,  21.172)  ( 0.02,  0.03,  0.12)
172:     angle   ( -5.782,   6.470,  -3.150)  ( -5.779,   6.473,  -3.149)  ( 0.05,  0.04,  0.01)
172:     torsion ( -7.214,   3.986,  -2.696)  ( -7.214,   3.986,  -2.696)  ( 0.00,  0.01,  0.00)
172:     vdw     ( 31.039, -12.874, -11.148)  ( 31.040, -12.874, -11.148)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 31       (  1.990,   9.393,   5.876)  (  1.994,   9.399,   5.901)  ( 0.22,  0.06,  0.42)
172:     bond    ( -2.566,   4.555,  13.872)  ( -2.565,   4.558,  13.897)  ( 0.03,  0.06,  0.18)
172:     angle   ( -2.429,   9.198,  -3.466)  ( -2.426,   9.201,  -3.466)  ( 0.12,  0.03,  0.01)
172:     torsion (  6.879,   9.288,  -1.777)  (  6.879,   9.289,  -1.777)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.105, -13.649,  -2.753)  (  0.106, -13.648,  -2.753)  ( 0.01,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 32       ( 57.837,   1.786, -27.115)  ( 57.842,   1.793, -27.093)  ( 0.01,  0.42,  0.08)
172:     bond    (  3.506,  -7.742, -15.918)  (  3.507,  -7.737, -15.897)  ( 0.03,  0.07,  0.14)
172:     angle   (  9.605,   7.418,  -1.493)  (  9.608,   7.421,  -1.492)  ( 0.03,  0.03,  0.04)
172:     torsion ( 18.659,  -1.057,   4.631)  ( 18.659,  -1.057,   4.631)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 26.067,   3.167, -14.335)  ( 26.068,   3.167, -14.335)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 33       ( 14.364, -13.743, -37.821)  ( 14.377, -13.739, -37.804)  ( 0.10,  0.03,  0.05)
172:     bond    ( -7.727,   1.849,  -8.864)  ( -7.715,   1.850,  -8.848)  ( 0.15,  0.03,  0.17)
172:     angle   ( 33.140, -19.453, -32.965)  ( 33.142, -19.450, -32.963)  ( 0.01,  0.01,  0.01)
172:     torsion ( -4.366,   1.112,   4.039)  ( -4.366,   1.112,   4.039)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -6.683,   2.749,  -0.032)  ( -6.683,   2.750,  -0.032)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 34       ( 23.884, -10.167,  29.657)  ( 23.892, -10.160,  29.677)  ( 0.04,  0.07,  0.07)
172:     bond    ( -7.250,   6.500,  13.231)  ( -7.245,   6.504,  13.249)  ( 0.07,  0.07,  0.14)
172:     angle   ( 47.238, -12.047,  31.744)  ( 47.240, -12.044,  31.746)  ( 0.01,  0.02,  0.00)
172:     torsion (  9.341,  -1.519,   5.853)  (  9.341,  -1.519,   5.854)  ( 0.00,  0.00,  0.00)
172:     vdw     (-25.444,  -3.102, -21.171)  (-25.444,  -3.102, -21.171)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 35       ( 10.332, -31.970,   1.348)  ( 10.338, -31.963,   1.370)  ( 0.06,  0.02,  1.69)
172:     bond    (  3.124,  -3.066,  -8.742)  (  3.127,  -3.063,  -8.719)  ( 0.09,  0.09,  0.25)
172:     angle   ( 12.608, -22.166,  12.308)  ( 12.611, -22.163,  12.308)  ( 0.02,  0.01,  0.00)
172:     torsion (  0.153,  -7.870,   2.819)  (  0.153,  -7.869,   2.819)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -5.553,   1.132,  -5.038)  ( -5.553,   1.132,  -5.038)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 36       ( -6.466,  20.884,  20.761)  ( -6.462,  20.911,  20.765)  ( 0.07,  0.13,  0.02)
172:     bond    ( -3.810,  19.131,  -1.834)  ( -3.809,  19.158,  -1.834)  ( 0.03,  0.14,  0.01)
172:     angle   (  4.504,   3.776,  30.076)  (  4.507,   3.776,  30.079)  ( 0.06,  0.00,  0.01)
172:     torsion (  2.297,   0.110,  -3.623)  (  2.297,   0.110,  -3.623)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -9.457,  -2.132,  -3.858)  ( -9.456,  -2.132,  -3.858)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 37       (-12.946,  50.711,   2.547)  (-12.941,  50.715,   2.571)  ( 0.05,  0.01,  0.96)
172:     bond    ( -4.292,   1.550,  11.849)  ( -4.289,   1.550,  11.873)  ( 0.07,  0.02,  0.20)
172:     angle   (-11.613,  41.830,  -9.657)  (-11.611,  41.833,  -9.657)  ( 0.02,  0.01,  0.00)
172:     torsion ( -0.350,  14.090,  -1.966)  ( -0.350,  14.090,  -1.966)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.310,  -6.758,   2.322)  (  3.310,  -6.758,   2.322)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 38       ( 12.162,  -2.679, -25.125)  ( 12.166,  -2.652, -25.121)  ( 0.04,  0.99,  0.01)
172:     bond    (  0.872,  -4.448,  -0.345)  (  0.873,  -4.421,  -0.345)  ( 0.09,  0.60,  0.00)
172:     angle   ( 29.617,   8.776, -37.482)  ( 29.620,   8.776, -37.478)  ( 0.01,  0.00,  0.01)
172:     torsion ( -3.954,  -1.555,   9.923)  ( -3.954,  -1.555,   9.923)  ( 0.00,  0.00,  0.00)
172:     vdw     (-14.374,  -5.451,   2.779)  (-14.373,  -5.451,   2.779)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 39       (-11.317,  11.623,   1.301)  (-11.314,  11.651,   1.304)  ( 0.03,  0.24,  0.26)
172:     bond    ( -0.745,  13.908,  -2.464)  ( -0.745,  13.936,  -2.463)  ( 0.01,  0.20,  0.04)
172:     angle   (-23.223,  -1.528,  -1.621)  (-23.220,  -1.528,  -1.621)  ( 0.01,  0.00,  0.00)
172:     torsion (  0.064,   0.711,   4.004)  (  0.064,   0.712,   4.006)  ( 0.00,  0.00,  0.06)
172:     vdw     ( 12.897,  -1.590,   1.285)  ( 12.898,  -1.590,   1.285)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.311,   0.122,   0.097)  ( -0.311,   0.122,   0.097)  ( 0.00,  0.00,  0.00)
172: 40       (  9.143,   6.478,  24.537)  (  9.153,   6.483,  24.556)  ( 0.11,  0.08,  0.08)
172:     bond    ( 10.107,  -5.604,  15.334)  ( 10.114,  -5.601,  15.351)  ( 0.08,  0.04,  0.12)
172:     angle   ( -9.548,  13.884,  11.355)  ( -9.546,  13.887,  11.357)  ( 0.02,  0.02,  0.01)
172:     torsion (  6.178,   3.402,  -2.829)  (  6.179,   3.402,  -2.829)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.406,  -5.205,   0.678)  (  2.406,  -5.205,   0.678)  ( 0.01,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 41       ( -4.650,   7.844, -34.403)  ( -4.641,   7.850, -34.384)  ( 0.20,  0.07,  0.06)
172:     bond    ( 10.859,  -6.746, -17.542)  ( 10.866,  -6.743, -17.524)  ( 0.06,  0.04,  0.10)
172:     angle   ( -5.836,  27.046, -14.027)  ( -5.834,  27.049, -14.026)  ( 0.04,  0.01,  0.01)
172:     torsion ( -7.800,  -2.305,  -3.950)  ( -7.800,  -2.304,  -3.950)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -1.873, -10.151,   1.116)  ( -1.873, -10.151,   1.116)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 42       (-18.227,  16.574,  22.437)  (-18.223,  16.579,  22.464)  ( 0.02,  0.03,  0.12)
172:     bond    ( -4.536,  -1.204,  23.491)  ( -4.535,  -1.204,  23.517)  ( 0.02,  0.00,  0.11)
172:     angle   (-18.756,  29.534,  -2.104)  (-18.754,  29.538,  -2.104)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.359,  12.650,   0.578)  ( -0.359,  12.650,   0.578)  ( 0.00,  0.00,  0.00)
172:     vdw     (  5.424, -24.406,   0.473)  (  5.425, -24.406,   0.473)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 43       (  9.439, -23.152, -26.152)  (  9.445, -23.130, -26.147)  ( 0.07,  0.10,  0.02)
172:     bond    ( 10.127, -23.154,  -7.124)  ( 10.131, -23.133,  -7.122)  ( 0.04,  0.09,  0.03)
172:     angle   (  3.098,  12.480, -36.129)  (  3.100,  12.481, -36.126)  ( 0.07,  0.00,  0.01)
172:     torsion ( -4.414,  -5.361,  11.133)  ( -4.414,  -5.361,  11.133)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.628,  -7.117,   5.968)  (  0.628,  -7.117,   5.968)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 44       (-18.308,  21.708,  37.195)  (-18.302,  21.715,  37.216)  ( 0.03,  0.03,  0.06)
172:     bond    ( 12.023,  14.421,  31.723)  ( 12.026,  14.425,  31.744)  ( 0.02,  0.03,  0.06)
172:     angle   (-25.967,  22.741,  -0.499)  (-25.964,  22.743,  -0.498)  ( 0.01,  0.01,  0.04)
172:     torsion ( -6.470,  -5.757,   5.067)  ( -6.470,  -5.757,   5.067)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.106,  -9.696,   0.903)  (  2.106,  -9.695,   0.903)  ( 0.01,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 45       ( 17.466,  -4.350, -19.478)  ( 17.485,  -4.344, -19.468)  ( 0.11,  0.14,  0.05)
172:     bond    ( 15.328,  -6.631,  -9.661)  ( 15.346,  -6.628,  -9.654)  ( 0.11,  0.05,  0.07)
172:     angle   (-12.774,  -6.804, -15.635)  (-12.772,  -6.801, -15.633)  ( 0.01,  0.04,  0.02)
172:     torsion (  4.665,   8.801,   1.373)  (  4.665,   8.801,   1.373)  ( 0.00,  0.00,  0.01)
172:     vdw     ( 10.247,   0.284,   4.446)  ( 10.247,   0.284,   4.446)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 46       (  5.443, -10.453,  10.349)  (  5.446, -10.446,  10.374)  ( 0.06,  0.07,  0.24)
172:     bond    ( -1.383,   3.610,  10.485)  ( -1.382,   3.613,  10.510)  ( 0.03,  0.08,  0.23)
172:     angle   ( -3.762,   9.525,  -3.770)  ( -3.759,   9.528,  -3.769)  ( 0.07,  0.03,  0.01)
172:     torsion (  2.060, -14.244,   5.167)  (  2.060, -14.244,   5.167)  ( 0.00,  0.00,  0.00)
172:     vdw     (  8.527,  -9.343,  -1.534)  (  8.528,  -9.342,  -1.534)  ( 0.01,  0.01,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 47       ( 14.909,  24.069,  -0.998)  ( 14.921,  24.080,  -0.985)  ( 0.08,  0.04,  1.22)
172:     bond    (-19.186,  18.209,  19.946)  (-19.177,  18.217,  19.955)  ( 0.05,  0.05,  0.05)
172:     angle   (-10.140, -12.273,   1.458)  (-10.138, -12.271,   1.460)  ( 0.02,  0.02,  0.11)
172:     torsion (  1.713,  -3.616,   4.947)  (  1.713,  -3.616,   4.947)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 42.522,  21.749, -27.348)  ( 42.523,  21.749, -27.347)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 48       (  0.271,  -6.369, -45.452)  (  0.284,  -6.356, -45.443)  ( 0.33,  0.21,  0.02)
172:     bond    ( 15.320, -16.319, -12.372)  ( 15.330, -16.308, -12.365)  ( 0.06,  0.07,  0.05)
172:     angle   ( -6.821,  10.229, -21.950)  ( -6.819,  10.231, -21.947)  ( 0.03,  0.02,  0.01)
172:     torsion ( -4.990,   5.362, -13.259)  ( -4.990,   5.362, -13.259)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -3.237,  -5.641,   2.128)  ( -3.237,  -5.641,   2.128)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 49       (  1.829,   5.218,  10.089)  (  1.832,   5.223,  10.115)  ( 0.19,  0.10,  0.26)
172:     bond    (  0.604,  -2.066,   9.001)  (  0.604,  -2.065,   9.027)  ( 0.00,  0.06,  0.29)
172:     angle   (-16.609,   6.716,   2.648)  (-16.606,   6.719,   2.648)  ( 0.02,  0.05,  0.01)
172:     torsion (  8.906,  -7.026,  -2.203)  (  8.906,  -7.026,  -2.203)  ( 0.00,  0.00,  0.00)
172:     vdw     (  8.928,   7.594,   0.643)  (  8.928,   7.595,   0.643)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 50       (-11.640,   3.698,  15.971)  (-11.634,   3.710,  15.987)  ( 0.06,  0.32,  0.10)
172:     bond    ( -5.694,   8.448,  10.662)  ( -5.690,   8.457,  10.677)  ( 0.07,  0.11,  0.14)
172:     angle   (  7.408,  -8.795,  10.912)  (  7.411,  -8.792,  10.914)  ( 0.03,  0.02,  0.02)
172:     torsion ( -7.136,   5.355,  -8.045)  ( -7.136,   5.355,  -8.045)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -6.219,  -1.310,   2.441)  ( -6.218,  -1.310,   2.441)  ( 0.00,  0.03,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 51       ( 66.926,   4.468, -23.568)  ( 66.934,   4.475, -23.545)  ( 0.01,  0.16,  0.10)
172:     bond    (-15.111,  19.836, -44.913)  (-15.108,  19.840, -44.892)  ( 0.01,  0.02,  0.05)
172:     angle   (-11.684, -27.275,  -8.122)  (-11.681, -27.272,  -8.122)  ( 0.02,  0.01,  0.01)
172:     torsion (  8.855,  -9.794,  -7.309)  (  8.855,  -9.794,  -7.309)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 84.866,  21.701,  36.777)  ( 84.869,  21.701,  36.777)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 52       (-18.901,  20.130,  41.937)  (-18.895,  20.135,  41.961)  ( 0.03,  0.02,  0.06)
172:     bond    (  8.042,  -5.998,  22.303)  (  8.045,  -5.996,  22.326)  ( 0.04,  0.03,  0.10)
172:     angle   (-15.750,  30.338,  13.823)  (-15.747,  30.341,  13.824)  ( 0.02,  0.01,  0.00)
172:     torsion ( -8.777,   2.120,   3.732)  ( -8.777,   2.120,   3.732)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.416,  -6.330,   2.079)  ( -2.416,  -6.330,   2.079)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 53       ( -2.896,  -4.389, -11.917)  ( -2.889,  -4.374, -11.904)  ( 0.24,  0.34,  0.11)
172:     bond    (  1.758,  -3.138,  -2.882)  (  1.762,  -3.126,  -2.871)  ( 0.23,  0.41,  0.38)
172:     angle   (-18.853,   1.811, -13.541)  (-18.850,   1.812, -13.539)  ( 0.01,  0.09,  0.02)
172:     torsion (  8.054,   2.591,   2.121)  (  8.054,   2.591,   2.121)  ( 0.00,  0.00,  0.00)
172:     vdw     (  6.145,  -5.652,   2.385)  (  6.145,  -5.652,   2.385)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 54       (-15.234,  -2.793, -16.466)  (-15.230,  -2.789, -16.439)  ( 0.02,  0.13,  0.17)
172:     bond    (  0.489,  -0.125,  -5.592)  (  0.489,  -0.125,  -5.564)  ( 0.01,  0.00,  0.49)
172:     angle   ( -0.277,  -2.344,   0.028)  ( -0.274,  -2.342,   0.028)  ( 0.07,  0.12,  0.00)
172:     torsion (-15.165,  -2.831,  -1.270)  (-15.165,  -2.831,  -1.270)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -0.280,   2.507,  -9.633)  ( -0.280,   2.508,  -9.633)  ( 0.00,  0.02,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 55       (-35.014, -23.448, -13.773)  (-34.988, -23.444, -13.767)  ( 0.07,  0.02,  0.04)
172:     bond    (-42.421,  -3.708, -12.496)  (-42.395,  -3.708, -12.494)  ( 0.06,  0.00,  0.02)
172:     angle   (  2.620, -44.077,   4.186)  (  2.620, -44.074,   4.190)  ( 0.01,  0.01,  0.09)
172:     torsion (  1.119,   1.922,  -4.368)  (  1.119,   1.922,  -4.368)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.668,  22.415,  -1.095)  (  3.668,  22.416,  -1.095)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 56       ( -5.812, -27.433,  37.928)  ( -5.808, -27.429,  37.955)  ( 0.07,  0.02,  0.07)
172:     bond    (  0.956,   6.372,  29.517)  (  0.956,   6.373,  29.544)  ( 0.01,  0.02,  0.09)
172:     angle   (  6.708, -34.340,   7.190)  (  6.712, -34.336,   7.190)  ( 0.06,  0.01,  0.00)
172:     torsion ( -5.135,  -3.628,   0.949)  ( -5.135,  -3.628,   0.949)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -8.342,   4.162,   0.272)  ( -8.341,   4.162,   0.272)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 57       ( 24.496,  -2.483,  -6.484)  ( 24.503,  -2.464,  -6.474)  ( 0.03,  0.75,  0.15)
172:     bond    (  2.792,   5.902,  -3.640)  (  2.795,   5.919,  -3.634)  ( 0.14,  0.29,  0.18)
172:     angle   ( 24.017, -16.515,  -8.425)  ( 24.020, -16.514,  -8.422)  ( 0.01,  0.01,  0.04)
172:     torsion (  3.410,   1.056,   4.344)  (  3.410,   1.056,   4.344)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -5.722,   7.074,   1.237)  ( -5.722,   7.074,   1.237)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 58       ( -1.265, -41.556, -20.451)  ( -1.253, -41.537, -20.446)  ( 0.92,  0.05,  0.02)
172:     bond    ( 19.836, -27.005,  -6.315)  ( 19.845, -26.988,  -6.314)  ( 0.05,  0.06,  0.01)
172:     angle   (-27.049, -17.025, -12.251)  (-27.047, -17.024, -12.247)  ( 0.01,  0.01,  0.03)
172:     torsion (  0.947,   1.352,  -2.804)  (  0.947,   1.352,  -2.804)  ( 0.00,  0.00,  0.00)
172:     vdw     (  5.002,   1.122,   0.919)  (  5.002,   1.123,   0.919)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 59       (-12.302,  15.241, -22.467)  (-12.293,  15.260, -22.460)  ( 0.07,  0.13,  0.03)
172:     bond    (  5.921,  10.746,  -5.413)  (  5.926,  10.764,  -5.409)  ( 0.09,  0.17,  0.08)
172:     angle   (-24.933,   2.911, -21.522)  (-24.930,   2.913, -21.519)  ( 0.01,  0.05,  0.01)
172:     torsion ( -1.179,   1.820,   2.330)  ( -1.179,   1.820,   2.331)  ( 0.00,  0.00,  0.00)
172:     vdw     (  7.889,  -0.236,   2.137)  (  7.889,  -0.236,   2.137)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 60       (-22.289, -13.877,  21.831)  (-22.285, -13.872,  21.858)  ( 0.02,  0.03,  0.12)
172:     bond    ( -0.454,   2.644,  18.216)  ( -0.454,   2.645,  18.243)  ( 0.00,  0.02,  0.15)
172:     angle   (-31.660, -11.577,   0.890)  (-31.657, -11.573,   0.890)  ( 0.01,  0.03,  0.01)
172:     torsion (  0.274,  -3.709,   0.545)  (  0.274,  -3.709,   0.545)  ( 0.00,  0.00,  0.00)
172:     vdw     (  9.552,  -1.235,   2.180)  (  9.552,  -1.235,   2.180)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 61       (-39.791, -21.672,   6.376)  (-39.767, -21.666,   6.382)  ( 0.06,  0.02,  0.11)
172:     bond    (-38.512,  -9.274, -15.814)  (-38.489,  -9.273, -15.810)  ( 0.06,  0.01,  0.02)
172:     angle   ( -4.902, -31.814,  30.587)  ( -4.902, -31.810,  30.590)  ( 0.02,  0.01,  0.01)
172:     torsion ( -2.164,   5.162,   2.239)  ( -2.164,   5.162,   2.239)  ( 0.00,  0.00,  0.00)
172:     vdw     (  5.787,  14.254, -10.637)  (  5.788,  14.254, -10.637)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 62       (-51.597,  18.758,  -5.963)  (-51.591,  18.785,  -5.959)  ( 0.01,  0.15,  0.06)
172:     bond    (  3.501,  40.620,  -1.367)  (  3.501,  40.647,  -1.367)  ( 0.00,  0.07,  0.01)
172:     angle   ( 23.290,  -0.699,  38.845)  ( 23.294,  -0.699,  38.848)  ( 0.02,  0.00,  0.01)
172:     torsion (  6.343,  -0.580,  -1.005)  (  6.344,  -0.580,  -1.005)  ( 0.00,  0.00,  0.00)
172:     vdw     (-84.732, -20.583, -42.435)  (-84.729, -20.583, -42.435)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 63       ( 18.779, -14.958,  -2.598)  ( 18.794, -14.951,  -2.585)  ( 0.08,  0.05,  0.48)
172:     bond    ( 12.071,  -6.940, -10.740)  ( 12.084,  -6.936, -10.729)  ( 0.11,  0.06,  0.10)
172:     angle   (  9.842,  -9.251,  17.064)  (  9.844,  -9.248,  17.066)  ( 0.02,  0.03,  0.01)
172:     torsion ( -3.735,  -4.539,  -1.272)  ( -3.735,  -4.539,  -1.272)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.601,   5.772,  -7.650)  (  0.601,   5.772,  -7.649)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 64       ( -7.737, -18.679,  -1.345)  ( -7.710, -18.674,  -1.340)  ( 0.34,  0.03,  0.41)
172:     bond    (-31.885,  -5.119,   7.694)  (-31.859,  -5.118,   7.696)  ( 0.08,  0.01,  0.02)
172:     angle   ( -7.715, -28.179, -50.681)  ( -7.715, -28.175, -50.678)  ( 0.00,  0.01,  0.01)
172:     torsion (  1.280,  -4.540,   2.282)  (  1.280,  -4.540,   2.282)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 30.583,  19.159,  39.360)  ( 30.583,  19.159,  39.361)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 65       ( 40.384,  -7.087,  -1.162)  ( 40.395,  -7.079,  -1.145)  ( 0.03,  0.12,  1.44)
172:     bond    ( 18.276, -13.631,  25.487)  ( 18.284, -13.627,  25.503)  ( 0.04,  0.03,  0.06)
172:     angle   ( 33.298, -22.150, -35.710)  ( 33.301, -22.147, -35.709)  ( 0.01,  0.01,  0.00)
172:     torsion (  3.662,   3.773,  -0.609)  (  3.662,   3.773,  -0.609)  ( 0.00,  0.00,  0.00)
172:     vdw     (-14.851,  24.922,   9.670)  (-14.851,  24.922,   9.670)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 66       (-18.935,  17.431,  -6.491)  (-18.930,  17.458,  -6.487)  ( 0.03,  0.16,  0.06)
172:     bond    (  5.481,  39.355,   1.074)  (  5.482,  39.383,   1.074)  ( 0.01,  0.07,  0.02)
172:     angle   ( 25.175,  -2.445, -38.854)  ( 25.178,  -2.445, -38.851)  ( 0.01,  0.00,  0.01)
172:     torsion ( -4.466,   0.662,  -1.498)  ( -4.466,   0.662,  -1.498)  ( 0.00,  0.00,  0.00)
172:     vdw     (-45.125, -20.141,  32.788)  (-45.124, -20.141,  32.788)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 67       ( -2.632,  24.315,  23.802)  ( -2.628,  24.342,  23.805)  ( 0.13,  0.11,  0.02)
172:     bond    ( -2.205,  21.491,  -0.922)  ( -2.204,  21.518,  -0.922)  ( 0.01,  0.13,  0.00)
172:     angle   (  0.322,   1.460,  33.287)  (  0.325,   1.460,  33.291)  ( 0.09,  0.00,  0.01)
172:     torsion (  1.351,  -0.167,  -7.120)  (  1.351,  -0.167,  -7.120)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -2.100,   1.530,  -1.443)  ( -2.100,   1.530,  -1.443)  ( 0.01,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 68       (  8.621, -30.526,  -4.348)  (  8.627, -30.520,  -4.325)  ( 0.06,  0.02,  0.54)
172:     bond    (  3.678,  -3.681, -11.381)  (  3.681,  -3.678, -11.358)  ( 0.06,  0.06,  0.20)
172:     angle   ( 10.007, -25.098,  11.370)  ( 10.010, -25.094,  11.370)  ( 0.03,  0.01,  0.00)
172:     torsion (  1.105, -10.123,   3.636)  (  1.105, -10.123,   3.636)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -6.169,   8.376,  -7.973)  ( -6.168,   8.376,  -7.973)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 69       ( 19.868,  12.686,  10.166)  ( 19.877,  12.695,  10.185)  ( 0.04,  0.07,  0.19)
172:     bond    (-17.162,  19.982,  30.757)  (-17.157,  19.989,  30.773)  ( 0.03,  0.03,  0.05)
172:     angle   ( 23.074, -23.287,  27.989)  ( 23.077, -23.285,  27.991)  ( 0.01,  0.01,  0.01)
172:     torsion ( 11.543,  -4.396,   9.291)  ( 11.543,  -4.396,   9.291)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.412,  20.386, -57.871)  (  2.413,  20.387, -57.870)  ( 0.06,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 70       (  3.856,  -5.617, -23.123)  (  3.868,  -5.613, -23.104)  ( 0.31,  0.08,  0.08)
172:     bond    ( -7.666,   2.356, -10.475)  ( -7.657,   2.357, -10.457)  ( 0.12,  0.04,  0.17)
172:     angle   ( 15.864, -23.495, -16.914)  ( 15.866, -23.492, -16.913)  ( 0.01,  0.01,  0.01)
172:     torsion ( -7.048,   5.024,   6.293)  ( -7.048,   5.024,   6.293)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.706,  10.498,  -2.027)  (  2.707,  10.498,  -2.027)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 71       ( -2.147, -23.094, -11.990)  ( -2.124, -23.086, -11.983)  ( 1.06,  0.03,  0.05)
172:     bond    (-18.976,  -7.679,   6.984)  (-18.955,  -7.675,   6.987)  ( 0.11,  0.04,  0.04)
172:     angle   ( -6.130, -29.366, -48.884)  ( -6.129, -29.363, -48.881)  ( 0.02,  0.01,  0.01)
172:     torsion (  0.625,  -0.949,   0.653)  (  0.625,  -0.949,   0.653)  ( 0.00,  0.01,  0.00)
172:     vdw     ( 22.334,  14.900,  29.256)  ( 22.334,  14.900,  29.257)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 72       ( 20.627,  -9.034,   0.423)  ( 20.642,  -9.030,   0.439)  ( 0.07,  0.05,  0.69)
172:     bond    ( 18.783,  -5.397,  20.943)  ( 18.795,  -5.396,  20.958)  ( 0.06,  0.02,  0.07)
172:     angle   ( 36.607,  -6.618, -34.536)  ( 36.609,  -6.615, -34.535)  ( 0.01,  0.06,  0.00)
172:     torsion (  1.051,   1.742,  -0.494)  (  1.051,   1.742,  -0.494)  ( 0.00,  0.01,  0.00)
172:     vdw     (-35.814,   1.239,  14.510)  (-35.813,   1.239,  14.510)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 73       (-13.401,  18.857,  -7.984)  (-13.397,  18.885,  -7.980)  ( 0.04,  0.15,  0.05)
172:     bond    ( -4.324,  40.254,  -3.034)  ( -4.324,  40.282,  -3.034)  ( 0.00,  0.07,  0.00)
172:     angle   ( 25.583,  -0.124, -38.116)  ( 25.587,  -0.124, -38.112)  ( 0.01,  0.00,  0.01)
172:     torsion ( -1.041,  -0.132,  -0.271)  ( -1.040,  -0.132,  -0.271)  ( 0.02,  0.00,  0.00)
172:     vdw     (-33.620, -21.141,  33.436)  (-33.619, -21.141,  33.437)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 74       ( 37.644,  95.477, 158.215)  ( 37.658,  95.483, 158.242)  ( 0.04,  0.01,  0.02)
172:     bond    ( 96.412,  66.499, 143.448)  ( 96.424,  66.506, 143.473)  ( 0.01,  0.01,  0.02)
172:     angle   (-10.556,  -4.320,   9.095)  (-10.555,  -4.320,   9.096)  ( 0.02,  0.01,  0.01)
172:     torsion (-20.678,  40.377,  -4.819)  (-20.678,  40.377,  -4.819)  ( 0.00,  0.00,  0.00)
172:     vdw     (-27.549,  -7.301,  10.524)  (-27.548,  -7.301,  10.524)  ( 0.00,  0.00,  0.00)
172:     electro (  0.016,   0.222,  -0.032)  (  0.016,   0.222,  -0.032)  ( 0.00,  0.00,  0.00)
172: ok 22 # gradients 
172: ok 23 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (1291.687, -969.396, 620.852)  (1291.781, -969.306, 620.868)  ( 0.01,  0.01,  0.00)
172:     bond    (1151.916, -865.000, 587.078)  (1151.998, -864.921, 587.090)  ( 0.01,  0.01,  0.00)
172:     angle   (141.394, -102.369,  34.491)  (141.406, -102.358,  34.492)  ( 0.01,  0.01,  0.00)
172:     torsion (  1.153,  -0.854,  -0.677)  (  1.153,  -0.853,  -0.674)  ( 0.02,  0.04,  0.20)
172:     vdw     ( -2.776,  -1.173,  -0.040)  ( -2.776,  -1.173,  -0.040)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       (298.204, 971.668, -229.992)  (298.273, 971.756, -229.978)  ( 0.02,  0.01,  0.01)
172:     bond    (395.657, 810.891, -170.088)  (395.712, 810.968, -170.079)  ( 0.01,  0.01,  0.01)
172:     angle   (-92.800, 152.605, -73.608)  (-92.786, 152.616, -73.606)  ( 0.02,  0.01,  0.00)
172:     torsion ( -3.841,   4.521,  15.987)  ( -3.840,   4.521,  15.990)  ( 0.01,  0.01,  0.02)
172:     vdw     ( -0.926,   3.157,  -2.084)  ( -0.926,   3.158,  -2.084)  ( 0.02,  0.00,  0.00)
172:     electro (  0.113,   0.494,  -0.199)  (  0.113,   0.494,  -0.199)  ( 0.00,  0.00,  0.00)
172:  3       (-504.679, 126.706, -65.120)  (-504.604, 126.804, -65.117)  ( 0.01,  0.08,  0.00)
172:     bond    (-438.510, -79.388, -48.304)  (-438.448, -79.301, -48.304)  ( 0.01,  0.11,  0.00)
172:     angle   (-64.271, 207.170, -14.900)  (-64.258, 207.181, -14.900)  ( 0.02,  0.01,  0.00)
172:     torsion ( -0.850,   2.083,  -2.639)  ( -0.850,   2.083,  -2.637)  ( 0.00,  0.00,  0.10)
172:     vdw     ( -0.986,  -2.347,   0.473)  ( -0.986,  -2.346,   0.473)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.063,  -0.812,   0.250)  ( -0.063,  -0.812,   0.250)  ( 0.00,  0.00,  0.00)
172:  4       ( 62.544, 529.216, -221.024)  ( 62.642, 529.276, -221.001)  ( 0.16,  0.01,  0.01)
172:     bond    ( 45.030, 519.764, -212.292)  ( 45.117, 519.814, -212.273)  ( 0.19,  0.01,  0.01)
172:     angle   ( 18.074,   9.875,  -5.510)  ( 18.085,   9.885,  -5.509)  ( 0.06,  0.10,  0.03)
172:     torsion (  1.294,  -0.313,  -3.148)  (  1.294,  -0.312,  -3.146)  ( 0.01,  0.02,  0.07)
172:     vdw     ( -1.854,  -0.110,  -0.074)  ( -1.854,  -0.110,  -0.074)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-22.770, 472.854, -228.617)  (-22.763, 472.872, -228.611)  ( 0.03,  0.00,  0.00)
172:     bond    ( 13.426, 481.568, -210.659)  ( 13.429, 481.586, -210.653)  ( 0.02,  0.00,  0.00)
172:     angle   (-28.169,  -1.322,  -4.817)  (-28.165,  -1.322,  -4.817)  ( 0.02,  0.00,  0.00)
172:     torsion (  2.580,  -5.856, -13.223)  (  2.580,  -5.856, -13.223)  ( 0.00,  0.00,  0.00)
172:     vdw     (-10.608,  -1.537,   0.082)  (-10.607,  -1.537,   0.082)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (-928.350, -469.312,  34.230)  (-928.250, -469.218,  34.249)  ( 0.01,  0.02,  0.06)
172:     bond    (-902.944, -431.198,  18.869)  (-902.856, -431.115,  18.883)  ( 0.01,  0.02,  0.07)
172:     angle   (-25.680, -34.846,   9.724)  (-25.668, -34.835,   9.726)  ( 0.05,  0.03,  0.02)
172:     torsion ( -0.760,   1.680,   3.423)  ( -0.760,   1.680,   3.427)  ( 0.00,  0.02,  0.11)
172:     vdw     (  1.033,  -4.949,   2.213)  (  1.033,  -4.948,   2.213)  ( 0.03,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       (-549.758, 286.552, -158.102)  (-549.658, 286.644, -158.084)  ( 0.02,  0.03,  0.01)
172:     bond    (-597.550, 340.749, -188.434)  (-597.463, 340.828, -188.421)  ( 0.01,  0.02,  0.01)
172:     angle   ( 49.931, -59.660,  27.577)  ( 49.943, -59.648,  27.578)  ( 0.02,  0.02,  0.01)
172:     torsion ( -0.865,   0.514,   3.821)  ( -0.865,   0.514,   3.825)  ( 0.00,  0.02,  0.09)
172:     vdw     ( -1.273,   4.949,  -1.066)  ( -1.273,   4.949,  -1.066)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (-34.667,  32.173,  -9.961)  (-34.567,  32.238,  -9.950)  ( 0.29,  0.20,  0.12)
172:     bond    (-46.132, -26.291,   2.900)  (-46.046, -26.238,   2.907)  ( 0.19,  0.20,  0.24)
172:     angle   (  9.004,  61.588, -19.522)  (  9.017,  61.600, -19.521)  ( 0.14,  0.02,  0.01)
172:     torsion ( -0.650,   1.553,   4.817)  ( -0.650,   1.553,   4.820)  ( 0.00,  0.02,  0.06)
172:     vdw     (  2.823,  -4.536,   1.777)  (  2.823,  -4.536,   1.777)  ( 0.00,  0.00,  0.00)
172:     electro (  0.289,  -0.142,   0.068)  (  0.289,  -0.142,   0.068)  ( 0.00,  0.00,  0.00)
172:  9       (334.527, 813.316, -260.363)  (334.621, 813.379, -260.342)  ( 0.03,  0.01,  0.01)
172:     bond    (341.270, 863.401, -379.423)  (341.355, 863.451, -379.407)  ( 0.02,  0.01,  0.00)
172:     angle   ( -9.599, -45.337, 140.803)  ( -9.591, -45.324, 140.807)  ( 0.09,  0.03,  0.00)
172:     torsion (  3.306,  -5.368, -20.899)  (  3.306,  -5.367, -20.897)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.449,   0.620,  -0.845)  ( -0.449,   0.620,  -0.845)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 10       ( 50.138, -59.673,  18.059)  ( 50.240, -59.609,  18.073)  ( 0.20,  0.11,  0.08)
172:     bond    ( 48.676, -141.413,  55.636)  ( 48.765, -141.363,  55.645)  ( 0.18,  0.04,  0.02)
172:     angle   (  3.823,  83.323, -28.467)  (  3.835,  83.336, -28.465)  ( 0.32,  0.02,  0.01)
172:     torsion (  0.572,  -1.857,  -4.267)  (  0.572,  -1.856,  -4.265)  ( 0.00,  0.02,  0.07)
172:     vdw     ( -2.723,   0.223,  -4.741)  ( -2.723,   0.223,  -4.740)  ( 0.01,  0.01,  0.00)
172:     electro ( -0.209,   0.051,  -0.103)  ( -0.209,   0.051,  -0.103)  ( 0.00,  0.00,  0.00)
172: 11       (-392.354,  12.929, -110.427)  (-392.268,  13.023, -110.411)  ( 0.02,  0.73,  0.02)
172:     bond    (-182.246, -41.558, -12.366)  (-182.180, -41.484, -12.356)  ( 0.04,  0.18,  0.09)
172:     angle   (-211.321,  57.327, -98.054)  (-211.301,  57.348, -98.050)  ( 0.01,  0.04,  0.00)
172:     torsion (  1.783,  -2.219,   2.344)  (  1.783,  -2.219,   2.347)  ( 0.00,  0.01,  0.11)
172:     vdw     ( -0.570,  -0.621,  -2.351)  ( -0.570,  -0.621,  -2.351)  ( 0.01,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (-21.184, -22.404,  -4.521)  (-21.177, -22.378,  -4.516)  ( 0.03,  0.11,  0.10)
172:     bond    ( -0.630, -11.847,   4.471)  ( -0.630, -11.822,   4.474)  ( 0.01,  0.21,  0.08)
172:     angle   (-18.792,   0.237,  -2.020)  (-18.786,   0.237,  -2.020)  ( 0.03,  0.00,  0.01)
172:     torsion ( -0.802,   2.323,   6.024)  ( -0.802,   2.323,   6.025)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.842, -12.514, -13.245)  ( -0.841, -12.513, -13.245)  ( 0.07,  0.00,  0.00)
172:     electro ( -0.117,  -0.603,   0.249)  ( -0.117,  -0.603,   0.249)  ( 0.00,  0.00,  0.00)
172: 13       (209.974,  32.014,  22.390)  (210.050,  32.098,  22.401)  ( 0.04,  0.26,  0.05)
172:     bond    ( 81.425, 122.507, -29.385)  ( 81.485, 122.580, -29.377)  ( 0.07,  0.06,  0.03)
172:     angle   (130.006, -87.869,  44.052)  (130.023, -87.857,  44.053)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.675,   1.611,   4.879)  ( -0.675,   1.612,   4.882)  ( 0.00,  0.02,  0.05)
172:     vdw     ( -0.783,  -4.237,   2.844)  ( -0.783,  -4.237,   2.844)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 14       (-10.127,  14.003,  -6.537)  (-10.121,  14.029,  -6.533)  ( 0.06,  0.19,  0.06)
172:     bond    (  0.208,  14.769,  -4.898)  (  0.208,  14.795,  -4.895)  ( 0.00,  0.18,  0.06)
172:     angle   (-19.794,  -0.500,  -2.352)  (-19.788,  -0.500,  -2.352)  ( 0.03,  0.00,  0.00)
172:     torsion (  0.019,  -0.049,  -0.149)  (  0.019,  -0.049,  -0.148)  ( 0.00,  0.00,  0.01)
172:     vdw     (  9.632,  -0.733,   1.059)  (  9.632,  -0.733,   1.059)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.192,   0.517,  -0.197)  ( -0.192,   0.517,  -0.197)  ( 0.00,  0.00,  0.00)
172: 15       (-36.479,  39.621, -17.440)  (-36.462,  39.631, -17.437)  ( 0.05,  0.02,  0.01)
172:     bond    (-39.986,  24.828, -13.708)  (-39.972,  24.834, -13.706)  ( 0.03,  0.02,  0.01)
172:     angle   ( 30.703,  43.547, -10.639)  ( 30.705,  43.551, -10.639)  ( 0.01,  0.01,  0.00)
172:     torsion (  0.156,  -0.381,  -1.147)  (  0.156,  -0.381,  -1.146)  ( 0.00,  0.00,  0.04)
172:     vdw     (-27.352, -28.373,   8.054)  (-27.352, -28.372,   8.054)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 16       ( 52.310, -52.160, 139.358)  ( 52.367, -52.107, 139.378)  ( 0.11,  0.10,  0.01)
172:     bond    ( 68.278,  40.654,  58.158)  ( 68.324,  40.691,  58.170)  ( 0.07,  0.09,  0.02)
172:     angle   (-14.590, -95.896,  93.389)  (-14.578, -95.881,  93.396)  ( 0.08,  0.02,  0.01)
172:     torsion ( -1.966,   4.760, -13.239)  ( -1.966,   4.761, -13.238)  ( 0.00,  0.00,  0.01)
172:     vdw     (  0.587,  -1.677,   1.050)  (  0.587,  -1.677,   1.050)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 17       (164.485, -1750.099, 359.852)  (164.514, -1750.044, 359.905)  ( 0.02,  0.00,  0.01)
172:     bond    ( 87.415, -1695.554, 508.596)  ( 87.436, -1695.507, 508.638)  ( 0.02,  0.00,  0.01)
172:     angle   ( 80.485, -54.139, -148.780)  ( 80.492, -54.130, -148.770)  ( 0.01,  0.02,  0.01)
172:     torsion (  1.700,  -7.304,   2.419)  (  1.699,  -7.304,   2.419)  ( 0.04,  0.00,  0.00)
172:     vdw     ( -5.114,   6.898,  -2.383)  ( -5.113,   6.898,  -2.383)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 18       (-28.502, -72.471,  13.320)  (-28.482, -72.459,  13.325)  ( 0.07,  0.02,  0.04)
172:     bond    ( 14.638,  -9.522,   7.122)  ( 14.656,  -9.515,   7.126)  ( 0.12,  0.08,  0.06)
172:     angle   (-45.669, -63.224,   9.506)  (-45.667, -63.221,   9.506)  ( 0.00,  0.01,  0.00)
172:     torsion ( -0.598,   0.771,   2.258)  ( -0.598,   0.771,   2.258)  ( 0.00,  0.01,  0.02)
172:     vdw     (  4.797,   1.730,  -6.454)  (  4.797,   1.731,  -6.454)  ( 0.01,  0.04,  0.00)
172:     electro ( -1.671,  -2.225,   0.889)  ( -1.671,  -2.225,   0.889)  ( 0.00,  0.00,  0.00)
172: 19       (114.823, -41.665, -42.781)  (114.872, -41.615, -42.731)  ( 0.04,  0.12,  0.12)
172:     bond    ( 46.006, -62.726, -75.264)  ( 46.042, -62.686, -75.226)  ( 0.08,  0.06,  0.05)
172:     angle   ( 71.528,  17.445,  24.719)  ( 71.541,  17.454,  24.730)  ( 0.02,  0.05,  0.04)
172:     torsion ( -0.887,  -0.092,   4.539)  ( -0.886,  -0.091,   4.539)  ( 0.02,  0.00,  0.01)
172:     vdw     ( -1.826,   3.708,   3.226)  ( -1.825,   3.709,   3.226)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       (  0.359,  94.777,   7.548)  (  0.409,  94.829,   7.594)  ( 1.80,  0.06,  0.61)
172:     bond    (-39.306,  77.507,  -9.832)  (-39.267,  77.545,  -9.795)  ( 0.10,  0.05,  0.38)
172:     angle   ( 29.541,  14.158,  21.655)  ( 29.551,  14.172,  21.664)  ( 0.03,  0.10,  0.04)
172:     torsion (  0.559,  -2.282,   2.657)  (  0.560,  -2.282,   2.658)  ( 0.01,  0.02,  0.02)
172:     vdw     (  9.565,   5.394,  -6.932)  (  9.566,   5.394,  -6.932)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 21       (-15.626,   9.796,  -8.493)  (-15.606,   9.807,  -8.489)  ( 0.13,  0.11,  0.05)
172:     bond    (-18.997,  12.730,  -1.669)  (-18.978,  12.738,  -1.669)  ( 0.10,  0.07,  0.00)
172:     angle   ( -9.429, -17.517, -26.477)  ( -9.428, -17.515, -26.473)  ( 0.01,  0.01,  0.01)
172:     torsion (  0.444,   0.852,   1.457)  (  0.444,   0.852,   1.457)  ( 0.00,  0.00,  0.01)
172:     vdw     ( 12.356,  13.731,  18.195)  ( 12.357,  13.731,  18.196)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 22       ( 16.790, -14.975,   7.995)  ( 16.794, -14.970,   8.021)  ( 0.02,  0.04,  0.32)
172:     bond    (  0.839,  -3.049,   9.710)  (  0.839,  -3.047,   9.735)  ( 0.01,  0.08,  0.26)
172:     angle   ( 17.920, -10.218,  -4.742)  ( 17.923, -10.215,  -4.741)  ( 0.02,  0.03,  0.01)
172:     torsion (  1.554,  -3.125,  -1.112)  (  1.554,  -3.125,  -1.112)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -3.522,   1.417,   4.139)  ( -3.522,   1.417,   4.139)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 23       ( -3.383,  26.547,  -7.292)  ( -3.331,  26.599,  -7.247)  ( 1.52,  0.19,  0.62)
172:     bond    ( -5.729, -62.233,   5.658)  ( -5.688, -62.197,   5.694)  ( 0.72,  0.06,  0.64)
172:     angle   (  3.696,  79.918, -15.987)  (  3.706,  79.932, -15.979)  ( 0.27,  0.02,  0.05)
172:     torsion (  0.547,   3.703,   0.318)  (  0.547,   3.703,   0.319)  ( 0.01,  0.01,  0.02)
172:     vdw     ( -1.897,   5.160,   2.720)  ( -1.897,   5.160,   2.720)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 24       ( -8.564, -14.110, -19.019)  ( -8.561, -14.092, -19.005)  ( 0.04,  0.12,  0.08)
172:     bond    ( -0.478, -14.334, -12.772)  ( -0.478, -14.319, -12.760)  ( 0.00,  0.11,  0.10)
172:     angle   (-14.163,   1.214,  -0.836)  (-14.161,   1.216,  -0.834)  ( 0.02,  0.13,  0.17)
172:     torsion (  1.364,  -0.748,   0.788)  (  1.364,  -0.748,   0.788)  ( 0.01,  0.01,  0.01)
172:     vdw     (  4.712,  -0.241,  -6.199)  (  4.712,  -0.241,  -6.199)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 25       ( 15.923,   6.709, -14.172)  ( 15.972,   6.759, -14.123)  ( 0.30,  0.75,  0.35)
172:     bond    (-43.493,  18.715,  43.123)  (-43.457,  18.755,  43.161)  ( 0.08,  0.21,  0.09)
172:     angle   ( 52.144,  -7.332, -54.175)  ( 52.156,  -7.322, -54.164)  ( 0.02,  0.13,  0.02)
172:     torsion (  3.258,  -0.518,  -1.719)  (  3.259,  -0.518,  -1.718)  ( 0.01,  0.01,  0.03)
172:     vdw     (  4.014,  -4.156,  -1.402)  (  4.014,  -4.156,  -1.402)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 26       (  8.967,  13.422,  21.262)  (  8.971,  13.430,  21.286)  ( 0.05,  0.06,  0.11)
172:     bond    (  2.558,  -5.615,  13.404)  (  2.558,  -5.611,  13.427)  ( 0.03,  0.07,  0.17)
172:     angle   (-11.664,   4.967,   4.298)  (-11.661,   4.970,   4.299)  ( 0.02,  0.06,  0.02)
172:     torsion ( -1.780,   1.821,   1.100)  ( -1.780,   1.821,   1.100)  ( 0.00,  0.01,  0.00)
172:     vdw     ( 19.854,  12.250,   2.460)  ( 19.854,  12.250,   2.460)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 27       (-323.145, -271.799, 112.451)  (-323.099, -271.749, 112.477)  ( 0.01,  0.02,  0.02)
172:     bond    (-277.510, -232.743, 103.218)  (-277.472, -232.705, 103.231)  ( 0.01,  0.02,  0.01)
172:     angle   (-42.969, -37.089,   8.185)  (-42.962, -37.077,   8.196)  ( 0.02,  0.03,  0.14)
172:     torsion ( -3.196,  -2.651,   1.412)  ( -3.196,  -2.651,   1.412)  ( 0.00,  0.01,  0.03)
172:     vdw     (  0.465,   0.546,  -0.326)  (  0.465,   0.546,  -0.326)  ( 0.00,  0.00,  0.00)
172:     electro (  0.066,   0.137,  -0.038)  (  0.066,   0.137,  -0.038)  ( 0.00,  0.00,  0.00)
172: 28       ( -9.937, -12.237, -27.175)  ( -9.933, -12.229, -27.152)  ( 0.04,  0.06,  0.09)
172:     bond    ( -2.224,   5.760, -12.961)  ( -2.224,   5.765, -12.939)  ( 0.03,  0.08,  0.17)
172:     angle   ( -1.338, -21.273,  -9.248)  ( -1.335, -21.270,  -9.247)  ( 0.21,  0.01,  0.01)
172:     torsion (  0.876,  -5.005,  -2.380)  (  0.876,  -5.005,  -2.380)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -7.251,   8.281,  -2.586)  ( -7.251,   8.281,  -2.586)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 29       (  1.693,  12.470,  31.606)  (  1.696,  12.488,  31.620)  ( 0.18,  0.14,  0.04)
172:     bond    (  1.386,  19.430,  16.782)  (  1.386,  19.446,  16.793)  ( 0.00,  0.08,  0.07)
172:     angle   (  0.745, -13.698,  15.796)  (  0.748, -13.697,  15.798)  ( 0.22,  0.01,  0.01)
172:     torsion ( -0.853,   1.947,  -2.184)  ( -0.853,   1.947,  -2.184)  ( 0.01,  0.00,  0.00)
172:     vdw     (  0.415,   4.792,   1.212)  (  0.416,   4.792,   1.212)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 30       ( 21.804, -19.915,  15.948)  ( 21.825, -19.906,  15.952)  ( 0.10,  0.05,  0.02)
172:     bond    ( 21.630, -12.881,   1.409)  ( 21.650, -12.874,   1.409)  ( 0.09,  0.06,  0.00)
172:     angle   ( -4.510,  -5.515,  18.908)  ( -4.509,  -5.513,  18.912)  ( 0.02,  0.04,  0.02)
172:     torsion (  0.258,   0.167,  -2.434)  (  0.258,   0.167,  -2.434)  ( 0.00,  0.00,  0.01)
172:     vdw     (  4.426,  -1.686,  -1.936)  (  4.427,  -1.686,  -1.936)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 31       (-24.628,   9.539, -16.258)  (-24.624,   9.545, -16.233)  ( 0.02,  0.06,  0.16)
172:     bond    ( -1.471,   4.253, -13.478)  ( -1.471,   4.256, -13.453)  ( 0.02,  0.06,  0.18)
172:     angle   (-21.315,   8.697,   5.082)  (-21.311,   8.700,   5.082)  ( 0.02,  0.03,  0.01)
172:     torsion ( -3.798,   2.727,   1.278)  ( -3.798,   2.727,   1.278)  ( 0.00,  0.00,  0.00)
172:     vdw     (  1.957,  -6.137,  -9.140)  (  1.957,  -6.137,  -9.140)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 32       (267.216, 221.662, -108.445)  (267.232, 221.677, -108.439)  ( 0.01,  0.01,  0.01)
172:     bond    (250.100, 215.399, -125.960)  (250.113, 215.408, -125.958)  ( 0.01,  0.00,  0.00)
172:     angle   (  2.594,   1.539,   7.794)  (  2.597,   1.544,   7.797)  ( 0.10,  0.32,  0.04)
172:     torsion (  2.306,  -0.267,   4.123)  (  2.306,  -0.267,   4.123)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 12.243,   5.078,   5.570)  ( 12.244,   5.078,   5.571)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.028,  -0.087,   0.029)  ( -0.028,  -0.087,   0.029)  ( 0.00,  0.00,  0.00)
172: 33       ( 94.657, -75.303,  31.434)  ( 94.664, -75.239,  31.434)  ( 0.01,  0.09,  0.00)
172:     bond    ( -6.861, -41.473,   0.804)  ( -6.859, -41.410,   0.804)  ( 0.02,  0.15,  0.01)
172:     angle   ( 79.707, -13.015,   9.723)  ( 79.711, -13.015,   9.723)  ( 0.01,  0.00,  0.00)
172:     torsion ( -2.073,   0.690,  17.856)  ( -2.073,   0.690,  17.856)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 26.743, -24.254,   3.560)  ( 26.743, -24.253,   3.560)  ( 0.00,  0.00,  0.00)
172:     electro ( -2.859,   2.749,  -0.509)  ( -2.859,   2.749,  -0.509)  ( 0.00,  0.00,  0.00)
172: 34       (-162.925, -385.483,   0.508)  (-162.878, -385.447,   0.513)  ( 0.03,  0.01,  0.25)
172:     bond    (-118.840, -234.811,   0.749)  (-118.797, -234.783,   0.751)  ( 0.04,  0.01,  0.17)
172:     angle   (-31.194, -139.586,   3.796)  (-31.192, -139.579,   3.796)  ( 0.01,  0.01,  0.02)
172:     torsion (  0.858,  -0.272,  -6.868)  (  0.858,  -0.272,  -6.867)  ( 0.00,  0.00,  0.03)
172:     vdw     (-15.468, -14.017,   4.082)  (-15.468, -14.017,   4.082)  ( 0.00,  0.00,  0.00)
172:     electro (  1.719,   3.204,  -1.249)  (  1.719,   3.204,  -1.249)  ( 0.00,  0.00,  0.00)
172: 35       (142.773, 236.088,  -1.496)  (142.802, 236.107,  -1.493)  ( 0.02,  0.01,  0.17)
172:     bond    (206.434, 163.892,  13.017)  (206.460, 163.909,  13.018)  ( 0.01,  0.01,  0.01)
172:     angle   (-39.945,  50.897,  -7.365)  (-39.944,  50.898,  -7.365)  ( 0.00,  0.00,  0.00)
172:     torsion (  0.431,  -0.230,  -3.930)  (  0.431,  -0.230,  -3.929)  ( 0.00,  0.00,  0.03)
172:     vdw     (-27.097,  24.813,  -4.027)  (-27.097,  24.813,  -4.027)  ( 0.00,  0.00,  0.00)
172:     electro (  2.951,  -3.283,   0.810)  (  2.951,  -3.283,   0.810)  ( 0.00,  0.00,  0.00)
172: 36       (-348.144,  45.726, -15.226)  (-348.081,  45.755, -15.186)  ( 0.02,  0.06,  0.26)
172:     bond    (-239.050,  39.747, -32.741)  (-238.998,  39.769, -32.711)  ( 0.02,  0.06,  0.09)
172:     angle   (-98.891,  -1.257,  19.357)  (-98.879,  -1.249,  19.367)  ( 0.01,  0.59,  0.05)
172:     torsion (-12.409,   2.698,  -2.484)  (-12.409,   2.697,  -2.484)  ( 0.00,  0.03,  0.02)
172:     vdw     (  2.205,   4.537,   0.642)  (  2.205,   4.537,   0.642)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 37       (260.970, 137.842, 191.207)  (261.009, 137.882, 191.260)  ( 0.02,  0.03,  0.03)
172:     bond    (191.217, 106.275, 118.659)  (191.249, 106.307, 118.700)  ( 0.02,  0.03,  0.03)
172:     angle   ( 64.540,  22.288,  66.066)  ( 64.548,  22.296,  66.078)  ( 0.01,  0.04,  0.02)
172:     torsion (  9.181,   7.136,   5.651)  (  9.180,   7.135,   5.651)  ( 0.01,  0.01,  0.00)
172:     vdw     ( -3.968,   2.143,   0.831)  ( -3.968,   2.143,   0.831)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 38       ( 16.136,  59.317, -86.231)  ( 16.143,  59.328, -86.216)  ( 0.04,  0.02,  0.02)
172:     bond    (-31.265,  54.954, -64.675)  (-31.262,  54.964, -64.661)  ( 0.01,  0.02,  0.02)
172:     angle   ( 44.812,   3.736, -18.493)  ( 44.817,   3.737, -18.492)  ( 0.01,  0.02,  0.01)
172:     torsion (  6.391,  -0.139,  -3.207)  (  6.390,  -0.139,  -3.208)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -3.801,   0.766,   0.144)  ( -3.801,   0.766,   0.144)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 39       (-24.158, -54.978,  89.296)  (-24.143, -54.974,  89.310)  ( 0.06,  0.01,  0.02)
172:     bond    (-61.767, -23.258,  61.775)  (-61.754, -23.257,  61.787)  ( 0.02,  0.01,  0.02)
172:     angle   ( 34.251, -33.220,  21.730)  ( 34.254, -33.218,  21.732)  ( 0.01,  0.01,  0.01)
172:     torsion (  5.676,  -2.819,   4.611)  (  5.675,  -2.819,   4.611)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.318,   4.320,   1.179)  ( -2.318,   4.320,   1.179)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 40       ( 26.973,  60.878, -82.459)  ( 26.982,  60.894, -82.450)  ( 0.03,  0.03,  0.01)
172:     bond    ( 49.149,  67.374, -37.914)  ( 49.157,  67.388, -37.910)  ( 0.02,  0.02,  0.01)
172:     angle   (-22.261,  -6.635, -40.663)  (-22.260,  -6.635, -40.658)  ( 0.01,  0.01,  0.01)
172:     torsion ( -2.626,  -1.535,  -6.134)  ( -2.626,  -1.535,  -6.134)  ( 0.01,  0.01,  0.00)
172:     vdw     (  2.712,   1.675,   2.252)  (  2.712,   1.675,   2.252)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 41       (-17.184, -55.174,  88.068)  (-17.181, -55.171,  88.094)  ( 0.02,  0.01,  0.03)
172:     bond    ( 16.566, -13.316,  86.606)  ( 16.566, -13.315,  86.633)  ( 0.00,  0.00,  0.03)
172:     angle   (-30.264, -36.708,   0.145)  (-30.261, -36.704,   0.145)  ( 0.01,  0.01,  0.00)
172:     torsion ( -6.068,  -5.375,   0.334)  ( -6.068,  -5.375,   0.334)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.582,   0.224,   0.982)  (  2.582,   0.224,   0.982)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 42       ( 11.928,  73.660, -65.040)  ( 11.931,  73.665, -65.015)  ( 0.03,  0.01,  0.04)
172:     bond    ( 19.792,   1.676, -61.552)  ( 19.794,   1.675, -61.526)  ( 0.01,  0.02,  0.04)
172:     angle   ( -6.567,  67.409,  -0.277)  ( -6.566,  67.413,  -0.277)  ( 0.01,  0.01,  0.00)
172:     torsion ( -1.571,   7.699,  -0.296)  ( -1.572,   7.699,  -0.296)  ( 0.01,  0.00,  0.00)
172:     vdw     (  0.274,  -3.123,  -2.916)  (  0.275,  -3.123,  -2.916)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 24 # gradients 
172: ok 25 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (473.590, -2725.065, -91.006)  (473.669, -2725.008, -90.997)  ( 0.02,  0.00,  0.01)
172:     bond    (570.063, -2587.592, -73.527)  (570.134, -2587.549, -73.519)  ( 0.01,  0.00,  0.01)
172:     angle   (-97.632, -137.351, -17.200)  (-97.625, -137.337, -17.201)  ( 0.01,  0.01,  0.00)
172:     torsion (  0.039,   0.013,  -0.294)  (  0.039,   0.013,  -0.293)  ( 0.00,  0.00,  0.05)
172:     vdw     (  1.094,  -0.150,   0.082)  (  1.094,  -0.150,   0.082)  ( 0.00,  0.00,  0.00)
172:     electro (  0.027,   0.016,  -0.067)  (  0.027,   0.016,  -0.067)  ( 0.00,  0.00,  0.00)
172:  2       (456.237, -40.002,  47.232)  (456.330, -39.924,  47.237)  ( 0.02,  0.19,  0.01)
172:     bond    (484.272, -90.146,  51.927)  (484.352, -90.080,  51.929)  ( 0.02,  0.07,  0.00)
172:     angle   (-27.516,  51.039,  -0.309)  (-27.503,  51.050,  -0.309)  ( 0.05,  0.02,  0.01)
172:     torsion (  0.507,   0.271,  -4.293)  (  0.507,   0.271,  -4.290)  ( 0.00,  0.00,  0.07)
172:     vdw     ( -1.088,  -1.174,   0.018)  ( -1.088,  -1.174,   0.018)  ( 0.01,  0.00,  0.00)
172:     electro (  0.062,   0.008,  -0.111)  (  0.062,   0.008,  -0.111)  ( 0.00,  0.00,  0.00)
172:  3       (-439.682, 272.667, -20.145)  (-439.604, 272.755, -20.140)  ( 0.02,  0.03,  0.03)
172:     bond    (-434.344, 334.129, -31.017)  (-434.277, 334.205, -31.016)  ( 0.02,  0.02,  0.00)
172:     angle   (  0.578, -64.603,  -4.985)  (  0.589, -64.592,  -4.984)  ( 0.64,  0.02,  0.03)
172:     torsion ( -1.894,  -0.881,  16.709)  ( -1.894,  -0.881,  16.711)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -4.022,   4.022,  -0.852)  ( -4.022,   4.022,  -0.852)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (-2540.305, -769.727, -316.047)  (-2540.258, -769.642, -316.037)  ( 0.00,  0.01,  0.00)
172:     bond    (-2564.733, -676.690, -321.730)  (-2564.698, -676.613, -321.723)  ( 0.00,  0.01,  0.00)
172:     angle   ( 27.297, -91.996,  12.159)  ( 27.308, -91.988,  12.161)  ( 0.04,  0.01,  0.01)
172:     torsion ( -0.005,  -0.273,  -6.256)  ( -0.005,  -0.273,  -6.254)  ( 0.00,  0.00,  0.02)
172:     vdw     ( -2.864,  -0.768,  -0.221)  ( -2.864,  -0.768,  -0.220)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (152.615,  23.670, -20.267)  (152.663,  23.722, -20.222)  ( 0.03,  0.22,  0.22)
172:     bond    (210.345, -55.349, -26.984)  (210.383, -55.310, -26.947)  ( 0.02,  0.07,  0.14)
172:     angle   (-50.047,  74.481,  16.185)  (-50.037,  74.494,  16.193)  ( 0.02,  0.02,  0.05)
172:     torsion (  0.131,   0.423,  -7.331)  (  0.131,   0.424,  -7.330)  ( 0.00,  0.01,  0.01)
172:     vdw     ( -7.814,   4.115,  -2.137)  ( -7.814,   4.115,  -2.137)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (1785.590, 3194.715, 371.046)  (1785.622, 3194.747, 371.062)  ( 0.00,  0.00,  0.00)
172:     bond    (1706.986, 3075.895, 357.608)  (1707.015, 3075.923, 357.623)  ( 0.00,  0.00,  0.00)
172:     angle   ( 78.219, 118.734,  12.897)  ( 78.222, 118.737,  12.898)  ( 0.00,  0.00,  0.01)
172:     torsion ( -0.042,  -0.079,   0.498)  ( -0.042,  -0.079,   0.498)  ( 0.00,  0.00,  0.01)
172:     vdw     (  0.426,   0.166,   0.043)  (  0.426,   0.166,   0.043)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       ( 79.851,  46.237,  75.880)  ( 79.900,  46.286,  75.900)  ( 0.06,  0.11,  0.03)
172:     bond    ( 96.990,  49.734, 133.186)  ( 97.033,  49.778, 133.199)  ( 0.04,  0.09,  0.01)
172:     angle   (-23.803,   0.498, -50.811)  (-23.797,   0.504, -50.804)  ( 0.03,  0.28,  0.01)
172:     torsion (  3.659,  -4.370,  -7.003)  (  3.659,  -4.370,  -7.002)  ( 0.00,  0.00,  0.01)
172:     vdw     (  3.005,   0.375,   0.507)  (  3.005,   0.375,   0.507)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (  1.028,  17.661, -26.397)  (  1.031,  17.684, -26.388)  ( 0.33,  0.13,  0.03)
172:     bond    (  0.649,  28.028, -13.838)  (  0.649,  28.050, -13.832)  ( 0.01,  0.08,  0.04)
172:     angle   ( 18.498, -10.591, -20.611)  ( 18.501, -10.590, -20.608)  ( 0.02,  0.01,  0.01)
172:     torsion (  0.531,   0.253,   0.537)  (  0.531,   0.253,   0.537)  ( 0.00,  0.00,  0.00)
172:     vdw     (-18.650,  -0.029,   7.514)  (-18.650,  -0.029,   7.514)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  9       ( -3.258, -11.551,  14.666)  ( -3.254, -11.547,  14.693)  ( 0.11,  0.04,  0.18)
172:     bond    (  1.501,   1.340,   9.477)  (  1.502,   1.341,   9.504)  ( 0.04,  0.04,  0.28)
172:     angle   ( 10.124, -22.656,   1.596)  ( 10.127, -22.652,   1.596)  ( 0.03,  0.02,  0.01)
172:     torsion ( -0.444,  -0.586,   0.153)  ( -0.444,  -0.586,   0.153)  ( 0.00,  0.00,  0.00)
172:     vdw     (-14.439,  10.351,   3.440)  (-14.439,  10.351,   3.440)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 10       (  8.999,  23.828,  -9.746)  (  9.046,  23.880,  -9.699)  ( 0.52,  0.22,  0.48)
172:     bond    (-48.888, 105.451, -60.397)  (-48.852, 105.493, -60.360)  ( 0.07,  0.04,  0.06)
172:     angle   ( 51.506, -71.132,  52.476)  ( 51.518, -71.122,  52.486)  ( 0.02,  0.01,  0.02)
172:     torsion (  2.888,  -2.402,  -0.834)  (  2.888,  -2.402,  -0.834)  ( 0.01,  0.01,  0.03)
172:     vdw     (  3.492,  -8.089,  -0.991)  (  3.493,  -8.089,  -0.991)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       (168.618, -73.192,  -8.367)  (168.664, -73.142,  -8.323)  ( 0.03,  0.07,  0.52)
172:     bond    (174.455, -73.803,  12.300)  (174.491, -73.766,  12.336)  ( 0.02,  0.05,  0.29)
172:     angle   ( -5.169,   2.391, -28.800)  ( -5.158,   2.404, -28.792)  ( 0.20,  0.57,  0.03)
172:     torsion ( -1.039,  -0.893,   8.375)  ( -1.039,  -0.893,   8.376)  ( 0.01,  0.02,  0.00)
172:     vdw     (  0.371,  -0.887,  -0.242)  (  0.371,  -0.887,  -0.242)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       ( 29.009,  -1.837, -22.246)  ( 29.025,  -1.824, -22.240)  ( 0.06,  0.69,  0.03)
172:     bond    ( 19.172, -16.718,  -8.157)  ( 19.186, -16.707,  -8.155)  ( 0.07,  0.06,  0.03)
172:     angle   ( 12.531,  27.144, -26.134)  ( 12.533,  27.146, -26.130)  ( 0.01,  0.01,  0.01)
172:     torsion ( -0.871,  -4.448,   7.065)  ( -0.871,  -4.448,   7.065)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -1.823,  -7.815,   4.980)  ( -1.822,  -7.815,   4.980)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       (-18.591,  20.067,  11.603)  (-18.588,  20.071,  11.630)  ( 0.02,  0.02,  0.24)
172:     bond    (  0.549,   0.488,   6.488)  (  0.549,   0.488,   6.515)  ( 0.01,  0.01,  0.42)
172:     angle   (-20.628,  20.227,   0.222)  (-20.625,  20.230,   0.222)  ( 0.02,  0.02,  0.00)
172:     torsion ( -3.898,   9.473,  -0.381)  ( -3.898,   9.473,  -0.381)  ( 0.00,  0.00,  0.00)
172:     vdw     (  5.386, -10.121,   5.274)  (  5.386, -10.120,   5.274)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 14       ( -4.732,  12.031, -27.864)  ( -4.729,  12.039, -27.840)  ( 0.06,  0.06,  0.08)
172:     bond    (  1.186,  -7.219, -16.041)  (  1.186,  -7.214, -16.018)  ( 0.00,  0.06,  0.14)
172:     angle   (  3.461,  11.430,  -4.894)  (  3.464,  11.433,  -4.893)  ( 0.08,  0.03,  0.01)
172:     torsion ( -3.441,   8.521,  -4.093)  ( -3.441,   8.521,  -4.093)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -5.938,  -0.701,  -2.837)  ( -5.938,  -0.701,  -2.837)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 15       (-13.698, -11.039,  21.550)  (-13.694, -11.022,  21.564)  ( 0.03,  0.15,  0.06)
172:     bond    ( -4.106, -16.342,  14.622)  ( -4.105, -16.327,  14.634)  ( 0.02,  0.09,  0.08)
172:     angle   ( -9.290,  14.645,  13.733)  ( -9.287,  14.646,  13.736)  ( 0.03,  0.01,  0.02)
172:     torsion (  4.719,  -6.094,  -5.475)  (  4.719,  -6.094,  -5.475)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -5.020,  -3.247,  -1.330)  ( -5.020,  -3.247,  -1.330)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 16       (  1.863,  81.697,   5.197)  (  1.890,  81.704,   5.198)  ( 1.45,  0.01,  0.01)
172:     bond    (-16.753,   4.379,  -1.879)  (-16.726,   4.381,  -1.879)  ( 0.16,  0.04,  0.01)
172:     angle   ( 19.859,  78.705,   6.738)  ( 19.860,  78.711,   6.738)  ( 0.00,  0.01,  0.00)
172:     torsion ( -0.066,  -0.028,   0.522)  ( -0.066,  -0.028,   0.523)  ( 0.00,  0.00,  0.02)
172:     vdw     ( -0.387,  -0.730,  -0.098)  ( -0.387,  -0.730,  -0.098)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.790,  -0.630,  -0.086)  ( -0.790,  -0.630,  -0.086)  ( 0.00,  0.00,  0.00)
172: 17       ( 16.835,   7.907,   3.018)  ( 16.841,   7.936,   3.018)  ( 0.03,  0.36,  0.02)
172:     bond    ( -0.453,   5.351,   0.238)  ( -0.453,   5.379,   0.238)  ( 0.01,  0.54,  0.00)
172:     angle   ( 16.859,   1.351,   1.571)  ( 16.865,   1.351,   1.571)  ( 0.03,  0.00,  0.01)
172:     torsion ( -0.089,  -0.042,   0.787)  ( -0.089,  -0.042,   0.788)  ( 0.00,  0.00,  0.06)
172:     vdw     ( -0.202,   0.587,   0.186)  ( -0.202,   0.587,   0.186)  ( 0.00,  0.00,  0.00)
172:     electro (  0.721,   0.661,   0.236)  (  0.721,   0.661,   0.236)  ( 0.00,  0.00,  0.00)
172: 18       (-99.292, 244.321, -59.455)  (-99.240, 244.368, -59.409)  ( 0.05,  0.02,  0.08)
172:     bond    (-148.417, 167.758, -176.834)  (-148.375, 167.796, -176.797)  ( 0.03,  0.02,  0.02)
172:     angle   ( 42.680,  72.995, 119.661)  ( 42.689,  73.003, 119.671)  ( 0.02,  0.01,  0.01)
172:     torsion (  1.407,   0.167,   0.022)  (  1.407,   0.167,   0.022)  ( 0.02,  0.01,  0.00)
172:     vdw     (  5.038,   3.401,  -2.304)  (  5.038,   3.402,  -2.304)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 19       ( 96.583, -100.565, -112.965)  ( 96.632, -100.532, -112.872)  ( 0.05,  0.03,  0.08)
172:     bond    ( 89.102, -72.229, -82.360)  ( 89.141, -72.204, -82.278)  ( 0.04,  0.03,  0.10)
172:     angle   (  6.652, -35.001, -29.477)  (  6.660, -34.996, -29.466)  ( 0.12,  0.02,  0.04)
172:     torsion ( -3.870,  -4.736,  -0.148)  ( -3.869,  -4.735,  -0.147)  ( 0.03,  0.03,  0.00)
172:     vdw     (  4.700,  11.402,  -0.981)  (  4.700,  11.402,  -0.981)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       (-96.914, -186.470, -88.497)  (-96.882, -186.398, -88.448)  ( 0.03,  0.04,  0.06)
172:     bond    (-78.790, -177.103, -33.032)  (-78.764, -177.044, -32.992)  ( 0.03,  0.03,  0.12)
172:     angle   (-37.779,  -5.578, -57.772)  (-37.775,  -5.566, -57.764)  ( 0.01,  0.22,  0.01)
172:     torsion (  3.007,  -1.147,  -2.059)  (  3.009,  -1.147,  -2.058)  ( 0.05,  0.02,  0.03)
172:     vdw     ( 16.394,  -2.558,   3.543)  ( 16.395,  -2.558,   3.543)  ( 0.00,  0.01,  0.00)
172:     electro (  0.254,  -0.083,   0.823)  (  0.254,  -0.083,   0.823)  ( 0.00,  0.00,  0.00)
172: 21       ( 18.115, -22.004,  18.288)  ( 18.119, -22.001,  18.316)  ( 0.02,  0.02,  0.15)
172:     bond    (  2.140,   2.802,  20.123)  (  2.140,   2.803,  20.150)  ( 0.01,  0.02,  0.13)
172:     angle   ( 15.176, -39.573,   3.891)  ( 15.179, -39.570,   3.891)  ( 0.02,  0.01,  0.00)
172:     torsion (  0.307,  -0.893,   0.092)  (  0.307,  -0.893,   0.092)  ( 0.00,  0.01,  0.00)
172:     vdw     (  0.491,  15.659,  -5.817)  (  0.492,  15.659,  -5.817)  ( 0.04,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 22       (-42.548,  36.110, 101.283)  (-42.494,  36.142, 101.373)  ( 0.13,  0.09,  0.09)
172:     bond    (-23.994,  20.120, 152.420)  (-23.949,  20.145, 152.498)  ( 0.19,  0.13,  0.05)
172:     angle   (-15.950,  11.852, -46.633)  (-15.942,  11.857, -46.621)  ( 0.05,  0.04,  0.03)
172:     torsion (  1.770,   2.186,  -0.008)  (  1.771,   2.188,  -0.008)  ( 0.06,  0.09,  0.00)
172:     vdw     ( -4.798,   2.484,  -4.355)  ( -4.798,   2.484,  -4.355)  ( 0.00,  0.00,  0.00)
172:     electro (  0.424,  -0.532,  -0.141)  (  0.424,  -0.532,  -0.141)  ( 0.00,  0.00,  0.00)
172: 23       (-43.446,  32.619, -30.428)  (-43.381,  32.658, -30.357)  ( 0.15,  0.12,  0.24)
172:     bond    (-51.035,  39.009, -46.081)  (-50.979,  39.040, -46.022)  ( 0.11,  0.08,  0.13)
172:     angle   (  8.095,  -5.547,  21.069)  (  8.103,  -5.543,  21.081)  ( 0.10,  0.08,  0.06)
172:     torsion ( -0.540,  -0.735,   0.027)  ( -0.538,  -0.733,   0.027)  ( 0.06,  0.15,  0.00)
172:     vdw     ( -0.067,  -0.023,  -5.994)  ( -0.067,  -0.023,  -5.994)  ( 0.00,  0.00,  0.00)
172:     electro (  0.101,  -0.083,   0.550)  (  0.101,  -0.083,   0.550)  ( 0.00,  0.00,  0.00)
172: 24       ( 43.655, -32.377,  -0.397)  ( 43.704, -32.347,  -0.301)  ( 0.11,  0.09,  3.82)
172:     bond    ( 53.195, -40.302,   1.077)  ( 53.234, -40.280,   1.160)  ( 0.07,  0.06,  7.75)
172:     angle   (-12.815,   9.925,   0.448)  (-12.807,   9.930,   0.461)  ( 0.06,  0.05,  0.56)
172:     torsion (  0.338,   0.422,   0.009)  (  0.339,   0.424,   0.009)  ( 0.04,  0.09,  0.00)
172:     vdw     (  3.486,  -2.810,  -1.722)  (  3.486,  -2.810,  -1.722)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.549,   0.389,  -0.208)  ( -0.549,   0.389,  -0.208)  ( 0.00,  0.00,  0.00)
172: 25       (-32.886,  25.469,  21.497)  (-32.834,  25.503,  21.587)  ( 0.16,  0.13,  0.42)
172:     bond    (-40.084,  29.921,  66.737)  (-40.040,  29.947,  66.813)  ( 0.11,  0.09,  0.12)
172:     angle   (  3.923,  -1.226, -49.132)  (  3.931,  -1.221, -49.119)  ( 0.20,  0.39,  0.03)
172:     torsion ( -0.183,  -0.218,   0.004)  ( -0.181,  -0.216,   0.004)  ( 0.02,  0.04,  0.00)
172:     vdw     (  3.666,  -3.125,   4.567)  (  3.666,  -3.124,   4.567)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.209,   0.118,  -0.679)  ( -0.209,   0.118,  -0.679)  ( 0.00,  0.00,  0.00)
172: 26       ( 19.751, -10.864, -138.067)  ( 19.814, -10.825, -138.002)  ( 0.32,  0.36,  0.05)
172:     bond    (-33.426,  30.737, -202.437)  (-33.371,  30.770, -202.385)  ( 0.16,  0.11,  0.03)
172:     angle   ( 51.930, -40.568,  58.813)  ( 51.936, -40.564,  58.827)  ( 0.01,  0.01,  0.02)
172:     torsion ( -0.221,  -0.407,  -0.147)  ( -0.220,  -0.405,  -0.147)  ( 0.02,  0.06,  0.00)
172:     vdw     (  1.469,  -0.626,   5.704)  (  1.469,  -0.626,   5.704)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 27       (  9.878,  -7.268,  34.221)  (  9.891,  -7.260,  34.237)  ( 0.13,  0.10,  0.04)
172:     bond    ( 18.852, -13.640,  19.276)  ( 18.863, -13.634,  19.287)  ( 0.06,  0.04,  0.06)
172:     angle   (-12.238,   9.361,  18.582)  (-12.237,   9.362,  18.585)  ( 0.01,  0.01,  0.02)
172:     torsion (  2.363,   3.195,  -0.052)  (  2.363,   3.196,  -0.052)  ( 0.01,  0.02,  0.00)
172:     vdw     (  1.457,  -6.242,  -3.795)  (  1.457,  -6.241,  -3.795)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.556,   0.058,   0.211)  ( -0.556,   0.058,   0.211)  ( 0.00,  0.00,  0.00)
172: 28       (-17.475,  14.834,  -2.649)  (-17.462,  14.842,  -2.635)  ( 0.07,  0.06,  0.54)
172:     bond    (-13.747,  11.035, -13.443)  (-13.735,  11.043, -13.432)  ( 0.08,  0.07,  0.08)
172:     angle   ( -5.564,   4.176,   9.118)  ( -5.562,   4.176,   9.121)  ( 0.02,  0.02,  0.04)
172:     torsion (  0.531,   0.676,   0.013)  (  0.531,   0.676,   0.013)  ( 0.02,  0.03,  0.00)
172:     vdw     (  1.658,  -1.338,   0.526)  (  1.658,  -1.338,   0.526)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.354,   0.285,   1.137)  ( -0.354,   0.285,   1.137)  ( 0.00,  0.00,  0.00)
172: 29       (-40.695,  27.606,  93.442)  (-40.693,  27.608,  93.464)  ( 0.01,  0.01,  0.02)
172:     bond    ( -7.021,   2.002,  89.351)  ( -7.022,   2.002,  89.373)  ( 0.00,  0.01,  0.02)
172:     angle   (-45.674,  35.582,  -4.385)  (-45.672,  35.584,  -4.385)  ( 0.00,  0.00,  0.00)
172:     torsion (  1.551,   2.029,   0.076)  (  1.551,   2.029,   0.076)  ( 0.01,  0.01,  0.00)
172:     vdw     ( 10.450, -12.007,   8.400)  ( 10.450, -12.007,   8.400)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 30       ( -0.829,  -1.200,  15.993)  ( -0.825,  -1.197,  16.022)  ( 0.36,  0.23,  0.18)
172:     bond    ( -2.181,   1.471,  19.357)  ( -2.181,   1.472,  19.386)  ( 0.02,  0.02,  0.15)
172:     angle   (  1.519,  -1.155,   0.259)  (  1.522,  -1.153,   0.259)  ( 0.23,  0.17,  0.00)
172:     torsion ( -0.839,  -1.115,  -0.010)  ( -0.839,  -1.115,  -0.010)  ( 0.02,  0.04,  0.00)
172:     vdw     (  0.546,  -0.339,  -2.337)  (  0.546,  -0.339,  -2.337)  ( 0.00,  0.00,  0.00)
172:     electro (  0.126,  -0.061,  -1.275)  (  0.126,  -0.061,  -1.275)  ( 0.00,  0.00,  0.00)
172: 31       (-11.407,   8.124,   5.758)  (-11.390,   8.134,   5.767)  ( 0.15,  0.12,  0.16)
172:     bond    (-13.844,  10.469,   7.022)  (-13.828,  10.478,   7.026)  ( 0.11,  0.09,  0.06)
172:     angle   (  0.011,  -0.028,   0.060)  (  0.012,  -0.028,   0.065)  ( 0.00,  0.00,  0.03)
172:     torsion ( -0.265,  -0.344,  -0.009)  ( -0.264,  -0.343,  -0.009)  ( 0.01,  0.02,  0.00)
172:     vdw     (  1.683,  -1.247,  -1.020)  (  1.683,  -1.247,  -1.020)  ( 0.00,  0.00,  0.01)
172:     electro (  1.008,  -0.726,  -0.295)  (  1.008,  -0.726,  -0.295)  ( 0.00,  0.00,  0.00)
172: 32       (-52.345, -67.440, -40.041)  (-52.327, -67.403, -40.025)  ( 0.03,  0.06,  0.04)
172:     bond    (-50.873, -72.955, -43.899)  (-50.855, -72.919, -43.886)  ( 0.03,  0.05,  0.03)
172:     angle   ( -1.963,   5.893,  -7.524)  ( -1.963,   5.895,  -7.521)  ( 0.00,  0.03,  0.04)
172:     torsion ( -4.234,   1.481,   2.446)  ( -4.234,   1.481,   2.446)  ( 0.01,  0.00,  0.00)
172:     vdw     (  4.991,  -2.441,   9.032)  (  4.992,  -2.441,   9.032)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.266,   0.581,  -0.096)  ( -0.266,   0.581,  -0.096)  ( 0.00,  0.00,  0.00)
172: 33       ( 60.735, -72.826, 144.796)  ( 60.747, -72.793, 144.826)  ( 0.02,  0.05,  0.02)
173:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
173:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
173:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
173:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
173:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
173: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
173:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
173:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
173:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
173:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
173:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
173: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
173:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
173:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
173:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
173:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
173:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
173: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
173:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
173:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
173:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
173:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
173: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
173:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
173:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
173:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
173:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
173: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
173:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
173:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
173:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
173:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
173: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
173:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
173:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
173:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
173:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
173: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
173:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
173:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
173:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
173:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
173:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
173:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
173:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
173:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
173:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
173:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
173:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
173:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
173:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
173:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
173:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
173:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 16 # gradients 
173: ok 17 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
173:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
173:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
173:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
173:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
173:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.007,  -0.022)  (  0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.005,  -0.010)  (  0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
173:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
173:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
173:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
173:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
173:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
173:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
173:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
173:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
173:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
173:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
173:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
173:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
173:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
173:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
173:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
173:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
173:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
173:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
173:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
173:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
173:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
173:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
173:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
173:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
173:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
173:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
173:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
173:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
173:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
173:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
173:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
173:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
173:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
173:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
173:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
173:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
173:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
173:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
173:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
173:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
173:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
173:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
173:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
173:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
173:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
173:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
173:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
173:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
173:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
173:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
173:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
173:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
173:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
173:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
173:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
173:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
173:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
173:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
173:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
173:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
173:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
173:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
173:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
173:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
173:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
173:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
173:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
173:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
173:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
173:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
173:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
173:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
173:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
173:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
173:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
173:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
173:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
173:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
173:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
173:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
173:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
173:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
173:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
173:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
173:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
173:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
173:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
173:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
173:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
173:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
173:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
173:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
173:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
173:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
173:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
173:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
173:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
173:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
173:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
173:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
173:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
173:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
173:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
173:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
173:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
173:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
173:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
173:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
173:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
173:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
173:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
173:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
173:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
173:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
173:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
173:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
173:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
173:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
173:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
173:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
173:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
173:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
173:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
173:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
173:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
173:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
173:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
173:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
173:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
173:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
173:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
173:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
173:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
173:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
173:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
173:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
173:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
173:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
173:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
173:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
173:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,   0.000,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
173:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
173:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
173:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
173:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
173:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
173:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
173:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
173:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
173:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
173:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
173:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
173:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
173:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
173:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
173:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
173:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
173:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
173:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
173:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
173:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
173:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
173:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
173:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
173:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
173:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
173:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
173:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
173:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
173:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
173:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
173:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
173:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
173:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
173:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
173:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
173:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
173:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
173:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
173:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
173:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
173:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
173:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
173:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
173:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
173:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
173:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
173:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
173:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 18 # gradients 
173: ok 19 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
173:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
173:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
173:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
173:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
173:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
173:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
173:  2       (-60.262, -26.974,  -2.058)  (-60.252, -26.966,  -1.947)  ( 0.02,  0.03,  5.40)
173:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
173:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
173:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
173:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
173:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
173:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
173:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
173:  3       ( 23.930, -14.242,   1.480)  ( 23.937, -14.234,   1.356)  ( 0.03,  0.06,  8.43)
173:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
173:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
173:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
173:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
173:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
173:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
173:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
173:  4       (  0.145,  -4.796,  -0.990)  (  0.155,  -4.783,  -0.870)  ( 0.15,  0.26, 11.92)
173:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
173:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
173:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
173:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
173:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
173:  5       ( 32.855,  54.085,  -1.765)  ( 32.859,  54.093,  -1.793)  ( 0.01,  0.01,  1.56)
173:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
173:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
173:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
173:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
173:  6       ( -0.168,   8.955,   0.093)  ( -0.160,   8.963,  -0.035)  ( 0.14,  0.09,  1.18)
173:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
173:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
173:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
173:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
173:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
173:  7       ( -6.398,  -0.930,  -0.886)  ( -6.384,  -0.921,  -0.765)  ( 0.22,  0.80, 10.80)
173:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
173:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
173:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
173:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
173:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
173:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
173:  8       (-50.729,  -2.197,  -0.507)  (-50.718,  -2.195,  -0.575)  ( 0.02,  0.05,  3.43)
173:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
173:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
173:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
173:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
173:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
173:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
173:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
173:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
173:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
173:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
173:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
173: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
173:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
173:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
173:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
173:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
173: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
173:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
173:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
173:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
173:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
173:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
173: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
175:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
175:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
175:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
175:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
175: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
175:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
175:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
175:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
175:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
175: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
175:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
175:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
175:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
175:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
175:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
175: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
175:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
175:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
175:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
175: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
175:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
175:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
175:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
175:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
175: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
175:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
175:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
175:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
175:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
175: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
175:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
175:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
175:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
175: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
175:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
175:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
175:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
175:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
175:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
175:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
175:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
175:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
175:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
175:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
175:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
175:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
175:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
175:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
175:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 16 # gradients 
175: ok 17 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
175:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
175:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.007,  -0.022)  (  0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.005,  -0.010)  (  0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
175:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
175:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
175:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
175:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
175:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
175:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
175:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
175:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
175:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
175:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
175:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
175:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
175:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
175:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
175:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
175:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
175:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
175:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
175:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
175:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
175:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
175:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
175:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
175:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
175:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
175:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
175:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
175:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
175:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
175:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
175:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
175:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
175:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
175:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
175:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
175:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
175:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
175:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
175:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
175:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
175:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
175:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
175:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
175:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
175:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
175:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
175:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
175:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
175:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
175:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
175:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
175:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
175:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
175:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
175:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
175:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,   0.000,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
175:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
175:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
175:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
175:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
175:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
175:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
175:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
175:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
175:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
175:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
175:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
175:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
175:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
175:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
175:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
175:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
175:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
175:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
175:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
175:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
175:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
175:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
175:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
175:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
175:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
175:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
175:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
175:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
175:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
175:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
175:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
175:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 18 # gradients 
175: ok 19 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
175:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
175:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
175:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
175:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
175:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
175:  2       (-60.261, -26.975,  -1.911)  (-60.251, -26.967,  -1.824)  ( 0.02,  0.03,  4.56)
175:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
175:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
175:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
175:     oop     ( -0.003,   0.003,  -0.342)  ( -0.002,   0.003,  -0.256)  ( 0.00,  0.00,  2.94)
175:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
175:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
175:  3       ( 23.923, -14.162,   0.682)  ( 23.930, -14.154,   0.630)  ( 0.03,  0.06,  3.56)
175:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
175:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.006,   0.806,   0.449)  (  0.006,   0.806,   0.450)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.002,  -0.000,   0.198)  (  0.001,  -0.000,   0.145)  ( 0.00,  0.00,  1.06)
175:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
175:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
175:  4       (  0.151,  -4.788,  -0.160)  (  0.160,  -4.776,  -0.094)  ( 0.15,  0.26,  1.05)
175:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
175:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
175:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.002,   0.006,   0.844)  (  0.002,   0.006,   0.845)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.003,  -0.003,  -0.380)  ( -0.002,  -0.003,  -0.316)  ( 0.00,  0.00,  2.45)
175:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
175:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
175:  5       ( 32.855,  54.085,  -1.761)  ( 32.859,  54.093,  -1.789)  ( 0.01,  0.01,  1.56)
175:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
175:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
175:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.000,   0.055)  (  0.001,   0.000,   0.055)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
175:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
175:  6       ( -0.214,   8.915,  -1.332)  ( -0.206,   8.924,  -1.372)  ( 0.18,  0.09,  3.00)
175:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
175:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
175:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.474,  -0.285,  -2.183)  ( -0.474,  -0.285,  -2.182)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.000,   0.000,   0.253)  (  0.000,   0.000,   0.212)  ( 0.00,  0.00,  1.05)
175:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
175:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
175:  7       ( -6.401,  -0.928,  -0.439)  ( -6.387,  -0.919,  -0.348)  ( 0.22,  0.80,  4.02)
175:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
175:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
175:     torsion ( -0.007,  -0.000,   0.644)  ( -0.007,  -0.000,   0.645)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.002,  -0.000,  -0.666)  (  0.002,   0.000,  -0.576)  ( 0.00,  0.00,  6.05)
175:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
175:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
175:  8       (-50.729,  -2.197,  -0.504)  (-50.718,  -2.195,  -0.571)  ( 0.02,  0.05,  3.40)
175:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
175:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
175:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,  -0.092)  (  0.001,  -0.000,  -0.092)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
175:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
175:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
175:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
175:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
175:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
175:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
175:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
175:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
175: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
175:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
175:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
175:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
175: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
175:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
175:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
175:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
175:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
175:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
175: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
177:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
177:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
177:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
177:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 64       (  1.903,   0.126,  -0.903)  (  1.903,   0.131,  -0.902)  ( 0.00,  0.07,  0.08)
177:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
177:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
177:     electro (  1.267,  -0.125,   0.347)  (  1.267,  -0.125,   0.347)  ( 0.00,  0.00,  0.00)
177: 65       (-13.463,  -0.711,   6.828)  (-13.458,  -0.711,   6.829)  ( 0.04,  0.02,  0.01)
177:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
177:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
177:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
177:     electro (  4.450,   0.427,  -2.326)  (  4.450,   0.427,  -2.326)  ( 0.00,  0.00,  0.00)
177: ok 14 # gradients 
177: ok 15 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -1.742,  28.428,  11.907)  ( -1.764,  28.344,  12.060)  ( 1.23,  0.30,  1.28)
177:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
177:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
177:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
177:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
177:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
177:     electro (  0.018,   0.220,   0.101)  (  0.018,   0.220,   0.101)  ( 0.00,  0.00,  0.00)
177:  2       (-43.349,  -2.957,  -5.099)  (-43.316,  -2.878,  -5.218)  ( 0.08,  2.69,  2.34)
177:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
177:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
177:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
177:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
177:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
177:     electro (  0.073,  -0.137,  -0.114)  (  0.073,  -0.137,  -0.114)  ( 0.00,  0.00,  0.00)
177:  3       ( 26.528,  25.489,  14.637)  ( 26.499,  25.389,  14.815)  ( 0.11,  0.39,  1.22)
177:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
177:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
177:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
177:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
177:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
177:     electro (  0.089,  -0.229,  -0.294)  (  0.089,  -0.229,  -0.294)  ( 0.00,  0.00,  0.00)
177:  4       ( 30.352,   2.828,   6.301)  ( 30.363,   2.860,   6.551)  ( 0.04,  1.11,  3.98)
177:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
177:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
177:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
177:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
177:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
177:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.048,   0.082,  -0.029)  ( -0.048,   0.082,  -0.029)  ( 0.00,  0.00,  0.00)
177:  5       ( -7.959, -75.966, -41.392)  ( -7.969, -76.008, -41.306)  ( 0.13,  0.05,  0.21)
177:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
177:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
177:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
177:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
177:     electro (  0.003,  -0.050,  -0.029)  (  0.003,  -0.050,  -0.029)  ( 0.00,  0.00,  0.00)
177:  6       (-30.275,  -4.989,  10.254)  (-30.271,  -4.995,   9.731)  ( 0.01,  0.12,  5.10)
177:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
177:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
177:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
177:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
177:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
177:     electro (  0.053,  -0.066,  -0.053)  (  0.053,  -0.066,  -0.053)  ( 0.00,  0.00,  0.00)
177:  7       ( 12.681,  86.824, -19.019)  ( 12.702,  86.782, -19.289)  ( 0.17,  0.05,  1.42)
177:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
177:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
177:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
177:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.001,   0.057,  -0.004)  ( -0.001,   0.057,  -0.004)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.291, -31.753,   6.515)  ( -0.281, -31.746,   6.468)  ( 0.30,  0.02,  0.71)
177:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
177:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
177:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
177:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.028,  -0.242,  -0.006)  ( -0.028,  -0.242,  -0.006)  ( 0.00,  0.00,  0.00)
177:  9       ( 44.982,   3.387,   2.990)  ( 44.985,   3.386,   2.902)  ( 0.01,  0.03,  2.94)
177:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
177:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
177:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
177:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
177:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.060,   0.176,  -0.057)  ( -0.060,   0.176,  -0.057)  ( 0.00,  0.00,  0.00)
177: 10       (-30.774, -26.770,  -2.379)  (-30.760, -26.705,  -1.847)  ( 0.04,  0.25, 22.36)
177:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
177:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
177:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
177:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.051,   0.334,  -0.183)  ( -0.051,   0.334,  -0.183)  ( 0.00,  0.00,  0.00)
177: 11       (-26.667, -22.028,   3.570)  (-26.663, -22.040,   3.403)  ( 0.01,  0.05,  4.70)
177:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
177:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
177:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
177:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
177:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.002,  -0.091,   0.203)  ( -0.002,  -0.091,   0.203)  ( 0.00,  0.00,  0.00)
177: 12       ( -2.870,   3.726,  -2.257)  ( -2.866,   3.733,  -2.186)  ( 0.13,  0.18,  3.13)
177:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
177:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
177:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
177:     electro (  0.172,  -0.037,   0.018)  (  0.172,  -0.037,   0.018)  ( 0.00,  0.00,  0.00)
177: 13       ( -3.039,  -3.637,  -0.645)  ( -3.036,  -3.632,  -0.621)  ( 0.10,  0.13,  1.57)
177:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
177:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
177:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
177:     electro (  0.134,  -0.226,   0.039)  (  0.134,  -0.226,   0.039)  ( 0.00,  0.00,  0.00)
177: 14       ( 26.477,  19.962,  14.448)  ( 26.502,  20.025,  14.358)  ( 0.09,  0.32,  0.62)
177:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
177:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
177:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
177:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
177:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.030,  -0.005,   0.217)  ( -0.030,  -0.005,   0.217)  ( 0.00,  0.00,  0.00)
177: 15       (  3.238,  -4.313,  -1.243)  (  3.260,  -4.253,  -1.338)  ( 0.67,  1.38,  7.68)
177:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
177:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
177:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.168,   0.032,   0.001)  ( -0.168,   0.032,   0.001)  ( 0.00,  0.00,  0.00)
177: 16       (  2.827,   3.165,   1.873)  (  2.825,   3.154,   1.894)  ( 0.07,  0.35,  1.16)
177:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
177:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
177:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
177:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.145,   0.192,   0.110)  ( -0.145,   0.192,   0.110)  ( 0.00,  0.00,  0.00)
177: 17       ( 10.855,  29.221,  17.768)  ( 10.869,  29.262,  17.706)  ( 0.13,  0.14,  0.35)
177:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
177:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
177:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
177:     electro (  0.615,   0.171,   0.131)  (  0.615,   0.171,   0.131)  ( 0.00,  0.00,  0.00)
177: 18       (-14.723, -32.439,  10.525)  (-14.730, -32.402,  10.710)  ( 0.05,  0.11,  1.75)
177:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
177:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
177:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.625,  -0.180,  -0.050)  ( -0.625,  -0.180,  -0.050)  ( 0.00,  0.00,  0.00)
177: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
177:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
177:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
177:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
177:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
177:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
177:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
177:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
177:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
177:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
177:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
177:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
177:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
177:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
177:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
177:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 16 # gradients 
177: ok 17 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
177:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
177:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.007,  -0.022)  (  0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.005,  -0.010)  (  0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
177:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
177:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
177:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
177:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
177:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
177:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
177:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
177:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
177:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
177:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
177:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
177:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
177:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
177:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
177:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
177:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
177:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
177:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
177:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
177:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
177:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
177:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
177:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
177:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
177:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
177:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
177:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
177:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
177:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
177:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
177:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
177:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
177:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
177:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
177:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
177:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
177:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
177:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
177:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
177:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
177:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
177:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
177:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
177:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
177:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
177:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
177:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
177:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
177:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
177:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
177:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
177:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
177:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
177:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
177:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
177:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,   0.000,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
177:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
177:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
177:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
177:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
177:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
177:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
177:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
177:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
177:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
177:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
177:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
177:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
177:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
177:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
177:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
177:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
177:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
177:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
177:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
177:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
177:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 47       ( -2.346,  17.106,  26.971)  ( -2.338,  17.112,  26.979)  ( 0.34,  0.04,  0.03)
179:     bond    (-24.673,  23.429,  25.665)  (-24.669,  23.434,  25.670)  ( 0.02,  0.02,  0.02)
179:     angle   (-11.688, -14.038,   1.582)  (-11.686, -14.036,   1.584)  ( 0.02,  0.02,  0.12)
179:     torsion (  5.673, -11.971,  16.379)  (  5.673, -11.971,  16.379)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 28.343,  19.686, -16.655)  ( 28.344,  19.686, -16.654)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       (  3.916, -11.977, -70.615)  (  3.923, -11.969, -70.610)  ( 0.19,  0.06,  0.01)
179:     bond    ( 23.281, -24.777, -18.786)  ( 23.286, -24.772, -18.783)  ( 0.02,  0.02,  0.02)
179:     angle   ( -3.238,   3.945,  -9.218)  ( -3.236,   3.946,  -9.216)  ( 0.06,  0.04,  0.02)
179:     torsion (-16.522,  17.754, -43.899)  (-16.523,  17.754, -43.899)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.395,  -8.898,   1.288)  (  0.396,  -8.898,   1.288)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       ( 32.071, -33.304,  25.059)  ( 32.075, -33.300,  25.072)  ( 0.01,  0.01,  0.05)
179:     bond    (  1.999,  -6.832,  29.850)  (  1.998,  -6.831,  29.863)  ( 0.00,  0.01,  0.04)
179:     angle   ( -7.301,  -5.703,  -0.816)  ( -7.298,  -5.700,  -0.815)  ( 0.04,  0.05,  0.01)
179:     torsion ( 29.488, -23.263,  -7.295)  ( 29.488, -23.262,  -7.295)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.885,   2.492,   3.320)  (  7.886,   2.493,   3.320)  ( 0.00,  0.02,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       (-42.456,  36.563,   2.121)  (-42.451,  36.570,   2.129)  ( 0.01,  0.02,  0.40)
179:     bond    (-12.892,  19.154,  24.179)  (-12.890,  19.158,  24.186)  ( 0.01,  0.02,  0.03)
179:     angle   (  2.102,  -1.369,   2.203)  (  2.104,  -1.367,   2.204)  ( 0.12,  0.14,  0.05)
179:     torsion (-23.627,  17.730, -26.636)  (-23.626,  17.730, -26.636)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.039,   1.048,   2.375)  ( -8.039,   1.049,   2.375)  ( 0.00,  0.04,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       ( 52.952,  -9.860, -46.709)  ( 52.958,  -9.855, -46.698)  ( 0.01,  0.05,  0.02)
179:     bond    (-15.220,  19.983, -45.230)  (-15.219,  19.985, -45.219)  ( 0.01,  0.01,  0.02)
179:     angle   (-20.705, -20.061,  -1.898)  (-20.702, -20.058,  -1.898)  ( 0.01,  0.01,  0.03)
179:     torsion ( 29.317, -32.429, -24.199)  ( 29.317, -32.428, -24.198)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 59.560,  22.646,  24.617)  ( 59.562,  22.646,  24.618)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       (-30.119,   0.338,  61.014)  (-30.115,   0.342,  61.026)  ( 0.01,  0.13,  0.02)
179:     bond    ( 12.586,  -9.382,  34.918)  ( 12.587,  -9.382,  34.929)  ( 0.01,  0.01,  0.03)
179:     angle   ( -6.602,  16.545,   6.822)  ( -6.600,  16.547,   6.823)  ( 0.04,  0.01,  0.01)
179:     torsion (-29.059,   7.019,  12.357)  (-29.059,   7.019,  12.357)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -7.043, -13.843,   6.917)  ( -7.043, -13.842,   6.917)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       ( 33.764, -28.975,  -6.678)  ( 33.769, -28.966,  -6.671)  ( 0.02,  0.03,  0.11)
179:     bond    ( 10.870, -19.294, -17.724)  ( 10.872, -19.288, -17.719)  ( 0.02,  0.03,  0.03)
179:     angle   (-11.286,  -8.512,   2.339)  (-11.283,  -8.510,   2.340)  ( 0.02,  0.02,  0.06)
179:     torsion ( 26.667,   8.579,   7.023)  ( 26.667,   8.580,   7.023)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.513,  -9.748,   1.685)  (  7.513,  -9.748,   1.685)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       (-47.852,  -9.022, -44.500)  (-47.849,  -9.018, -44.486)  ( 0.01,  0.05,  0.03)
179:     bond    (  2.526,  -0.643, -28.750)  (  2.526,  -0.643, -28.736)  ( 0.00,  0.01,  0.05)
179:     angle   ( -0.268,  -2.711,   0.037)  ( -0.265,  -2.707,   0.037)  ( 0.08,  0.13,  0.00)
179:     torsion (-50.211,  -9.373,  -4.203)  (-50.210,  -9.372,  -4.203)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.100,   3.705, -11.584)  (  0.101,   3.705, -11.584)  ( 0.00,  0.02,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       (-38.239,  -5.705, -32.015)  (-38.226,  -5.702, -32.012)  ( 0.03,  0.06,  0.01)
179:     bond    (-46.113,  -4.032, -13.586)  (-46.100,  -4.032, -13.585)  ( 0.03,  0.00,  0.01)
179:     angle   (  3.509, -32.715,  -2.200)  (  3.509, -32.712,  -2.198)  ( 0.00,  0.01,  0.09)
179:     torsion (  3.705,   6.365, -14.463)  (  3.705,   6.365, -14.463)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.660,  24.677,  -1.765)  (  0.660,  24.678,  -1.765)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       (-20.074, -19.534,  52.018)  (-20.072, -19.531,  52.032)  ( 0.01,  0.02,  0.03)
179:     bond    (  1.302,   8.678,  40.215)  (  1.302,   8.678,  40.229)  ( 0.01,  0.01,  0.03)
179:     angle   (  9.027, -24.582,   5.010)  (  9.029, -24.580,   5.010)  ( 0.02,  0.01,  0.00)
179:     torsion (-17.002, -12.013,   3.142)  (-17.002, -12.013,   3.142)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-13.401,   8.383,   3.651)  (-13.401,   8.383,   3.651)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( 26.460,  29.842,  -4.295)  ( 26.464,  29.852,  -4.290)  ( 0.02,  0.03,  0.12)
179:     bond    ( 11.126,  23.554, -14.467)  ( 11.128,  23.563, -14.464)  ( 0.02,  0.04,  0.02)
179:     angle   ( 12.472,  -8.642,  -4.482)  ( 12.474,  -8.641,  -4.480)  ( 0.02,  0.01,  0.04)
179:     torsion ( 11.289,   3.498,  14.382)  ( 11.289,   3.498,  14.382)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.427,  11.433,   0.272)  ( -8.427,  11.433,   0.272)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       ( 17.909, -40.158, -26.723)  ( 17.915, -40.148, -26.721)  ( 0.04,  0.02,  0.01)
179:     bond    ( 25.086, -34.130,  -7.983)  ( 25.091, -34.121,  -7.983)  ( 0.02,  0.03,  0.00)
179:     angle   (-20.491, -12.612, -10.496)  (-20.489, -12.611, -10.494)  ( 0.01,  0.01,  0.02)
179:     torsion (  3.136,   4.478,  -9.283)  (  3.136,   4.478,  -9.283)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.178,   2.107,   1.039)  ( 10.178,   2.107,   1.039)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       (  7.352,  34.910, -17.396)  (  7.357,  34.920, -17.391)  ( 0.07,  0.03,  0.02)
179:     bond    ( 14.463,  26.266, -13.205)  ( 14.466,  26.275, -13.203)  ( 0.02,  0.03,  0.02)
179:     angle   (-16.868,   2.403, -13.698)  (-16.866,   2.403, -13.696)  ( 0.01,  0.03,  0.01)
179:     torsion ( -3.902,   6.026,   7.716)  ( -3.902,   6.026,   7.716)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 13.658,   0.216,   1.791)  ( 13.659,   0.216,   1.791)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       ( -8.554, -15.355,  43.314)  ( -8.551, -15.353,  43.328)  ( 0.03,  0.02,  0.03)
179:     bond    ( -0.868,   5.060,  34.888)  ( -0.869,   5.060,  34.902)  ( 0.01,  0.00,  0.04)
179:     angle   (-22.600,  -6.248,   0.343)  (-22.597,  -6.246,   0.343)  ( 0.01,  0.03,  0.00)
179:     torsion (  0.908, -12.282,   1.803)  (  0.908, -12.281,   1.803)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.006,  -1.886,   6.280)  ( 14.007,  -1.886,   6.280)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       (-51.991,   5.602,  -4.126)  (-51.979,   5.605,  -4.121)  ( 0.02,  0.06,  0.10)
179:     bond    (-42.778, -10.304, -17.569)  (-42.767, -10.304, -17.567)  ( 0.03,  0.00,  0.01)
179:     angle   ( -4.630, -20.181,  23.103)  ( -4.629, -20.179,  23.105)  ( 0.01,  0.01,  0.01)
179:     torsion ( -7.164,  17.092,   7.415)  ( -7.164,  17.092,   7.415)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.580,  18.995, -17.074)  (  2.580,  18.996, -17.074)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       (-21.495,  33.412, -10.092)  (-21.491,  33.426, -10.089)  ( 0.02,  0.04,  0.03)
179:     bond    (  3.985,  46.253,  -1.556)  (  3.985,  46.266,  -1.556)  ( 0.00,  0.03,  0.01)
179:     angle   ( 13.192,  -0.148,  29.385)  ( 13.194,  -0.148,  29.388)  ( 0.01,  0.00,  0.01)
179:     torsion ( 21.003,  -1.921,  -3.329)  ( 21.003,  -1.921,  -3.329)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-59.674, -10.772, -34.592)  (-59.672, -10.772, -34.591)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( 16.626, -30.317, -28.851)  ( 16.633, -30.313, -28.844)  ( 0.05,  0.01,  0.02)
179:     bond    ( 23.941, -13.747, -21.268)  ( 23.948, -13.745, -21.263)  ( 0.03,  0.01,  0.02)
179:     angle   (  6.188,  -6.431,  11.125)  (  6.189,  -6.429,  11.127)  ( 0.02,  0.03,  0.01)
179:     torsion (-12.366, -15.028,  -4.213)  (-12.366, -15.027,  -4.213)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.138,   4.889, -14.495)  ( -1.138,   4.889, -14.495)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 64       (-22.104, -23.871,  24.818)  (-22.091, -23.868,  24.822)  ( 0.06,  0.01,  0.02)
179:     bond    (-40.965,  -6.579,   9.892)  (-40.953,  -6.579,   9.892)  ( 0.03,  0.00,  0.01)
179:     angle   ( -5.448, -19.724, -35.671)  ( -5.448, -19.722, -35.669)  ( 0.00,  0.01,  0.01)
179:     torsion (  4.240, -15.032,   7.554)  (  4.240, -15.031,   7.554)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 20.069,  17.464,  43.044)  ( 20.070,  17.464,  43.045)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 65       ( 41.479,   2.856,  23.643)  ( 41.485,   2.861,  23.652)  ( 0.01,  0.17,  0.04)
179:     bond    ( 23.063, -17.194,  32.166)  ( 23.067, -17.192,  32.174)  ( 0.02,  0.01,  0.02)
179:     angle   ( 22.666, -18.218, -25.987)  ( 22.668, -18.216, -25.986)  ( 0.01,  0.01,  0.00)
179:     torsion ( 12.123,  12.492,  -2.017)  ( 12.123,  12.492,  -2.017)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-16.374,  25.776,  19.481)  (-16.373,  25.777,  19.481)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 66       (-25.698,  36.326,  -3.779)  (-25.695,  36.340,  -3.776)  ( 0.01,  0.04,  0.08)
179:     bond    (  6.331,  45.473,   1.240)  (  6.331,  45.487,   1.240)  ( 0.00,  0.03,  0.02)
179:     angle   ( 15.181,  -1.371, -27.218)  ( 15.183,  -1.371, -27.215)  ( 0.01,  0.00,  0.01)
179:     torsion (-14.786,   2.193,  -4.961)  (-14.786,   2.193,  -4.961)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-32.424,  -9.969,  27.160)  (-32.423,  -9.968,  27.160)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 67       (  4.802,  42.782, -15.312)  (  4.806,  42.796, -15.309)  ( 0.08,  0.03,  0.02)
179:     bond    ( -3.755,  36.643,  -1.571)  ( -3.755,  36.657,  -1.571)  ( 0.00,  0.04,  0.01)
179:     angle   (  5.815,   1.377,  18.212)  (  5.818,   1.377,  18.214)  ( 0.05,  0.00,  0.01)
179:     torsion (  4.474,  -0.552, -23.574)  (  4.474,  -0.552, -23.573)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.731,   5.314,  -8.379)  ( -1.731,   5.314,  -8.379)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 68       ( 18.600, -41.214, -25.758)  ( 18.605, -41.210, -25.746)  ( 0.03,  0.01,  0.05)
179:     bond    (  9.516,  -9.512, -29.381)  (  9.517,  -9.511, -29.370)  ( 0.01,  0.01,  0.04)
179:     angle   ( 10.913,  -9.288,   6.544)  ( 10.916,  -9.286,   6.544)  ( 0.03,  0.02,  0.01)
179:     torsion (  3.658, -33.517,  12.039)  (  3.658, -33.516,  12.039)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.487,  11.103, -14.960)  ( -5.487,  11.103, -14.960)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 69       ( 24.242,  10.836,  42.437)  ( 24.248,  10.842,  42.448)  ( 0.02,  0.06,  0.02)
179:     bond    (-19.615,  22.847,  35.171)  (-19.613,  22.851,  35.179)  ( 0.01,  0.01,  0.02)
179:     angle   (  7.226, -17.693,  15.520)  (  7.229, -17.691,  15.521)  ( 0.03,  0.01,  0.01)
179:     torsion ( 38.219, -14.554,  30.761)  ( 38.219, -14.554,  30.762)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.588,  20.236, -39.015)  ( -1.586,  20.237, -39.014)  ( 0.07,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 70       (-41.118,  22.843, -11.862)  (-41.111,  22.847, -11.852)  ( 0.02,  0.02,  0.08)
179:     bond    (-18.980,   5.841, -25.923)  (-18.975,   5.841, -25.914)  ( 0.02,  0.01,  0.03)
179:     angle   (  2.186, -11.955,  -4.297)  (  2.188, -11.952,  -4.296)  ( 0.08,  0.02,  0.02)
179:     torsion (-23.335,  16.633,  20.836)  (-23.334,  16.633,  20.836)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.990,  12.324,  -2.478)  ( -0.989,  12.325,  -2.478)  ( 0.05,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 71       (-22.526, -19.580,  14.759)  (-22.514, -19.576,  14.763)  ( 0.05,  0.02,  0.03)
179:     bond    (-32.343, -13.094,  11.917)  (-32.332, -13.092,  11.919)  ( 0.03,  0.01,  0.01)
179:     angle   ( -3.695, -21.026, -33.117)  ( -3.694, -21.024, -33.115)  ( 0.01,  0.01,  0.01)
179:     torsion (  2.069,  -3.141,   2.162)  (  2.069,  -3.141,   2.162)  ( 0.01,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.442,  17.681,  33.797)  ( 11.443,  17.681,  33.797)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 72       ( 28.513,  -2.885,  23.663)  ( 28.521,  -2.883,  23.672)  ( 0.03,  0.10,  0.04)
179:     bond    ( 26.477,  -7.603,  29.522)  ( 26.483,  -7.603,  29.530)  ( 0.02,  0.00,  0.02)
179:     angle   ( 23.889,  -8.494, -23.613)  ( 23.890,  -8.492, -23.612)  ( 0.01,  0.02,  0.00)
179:     torsion (  3.479,   5.766,  -1.636)  (  3.479,   5.767,  -1.636)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-25.332,   7.445,  19.389)  (-25.331,   7.445,  19.390)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 73       (-17.606,  34.717,  -4.281)  (-17.603,  34.731,  -4.278)  ( 0.02,  0.04,  0.08)
179:     bond    ( -4.935,  45.959,  -3.462)  ( -4.935,  45.973,  -3.463)  ( 0.00,  0.03,  0.00)
179:     angle   ( 15.380,  -0.530, -28.957)  ( 15.382,  -0.530, -28.955)  ( 0.01,  0.00,  0.01)
179:     torsion ( -3.445,  -0.437,  -0.896)  ( -3.445,  -0.437,  -0.896)  ( 0.02,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-24.606, -10.275,  29.035)  (-24.605, -10.275,  29.036)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 74       (-49.166, -29.527, -81.473)  (-49.157, -29.524, -81.458)  ( 0.02,  0.01,  0.02)
179:     bond    (-44.679, -30.815, -66.485)  (-44.673, -30.812, -66.471)  ( 0.01,  0.01,  0.02)
179:     angle   ( 32.405,  13.263, -27.929)  ( 32.406,  13.263, -27.927)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.186,  -0.363,   0.043)  (  0.186,  -0.363,   0.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-37.078, -11.611,  12.897)  (-37.076, -11.611,  12.897)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 22 # gradients 
179: ok 23 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (471.070, -527.809, 235.674)  (471.068, -527.650, 235.807)  ( 0.00,  0.03,  0.06)
179:     bond    (282.282, -338.460, 183.324)  (282.308, -338.434, 183.329)  ( 0.01,  0.01,  0.00)
179:     angle   (223.482, -162.837,  60.542)  (223.499, -162.822,  60.544)  ( 0.01,  0.01,  0.00)
179:     torsion (  6.514,  -3.017,  -7.176)  (  6.516,  -3.014,  -7.160)  ( 0.02,  0.07,  0.23)
179:     oop     (  0.299,  -0.686,  -0.777)  (  0.251,  -0.571,  -0.667)  ( 1.43,  7.90,  8.55)
179:     vdw     (-41.507, -22.810,  -0.239)  (-41.506, -22.810,  -0.239)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-37.678, 495.727, -93.390)  (-37.527, 495.643, -93.793)  ( 0.40,  0.02,  0.43)
179:     bond    (181.430, 258.233, -39.725)  (181.458, 258.263, -39.721)  ( 0.02,  0.01,  0.01)
179:     angle   (-176.405, 185.504, -106.176)  (-176.388, 185.515, -106.173)  ( 0.01,  0.01,  0.00)
179:     torsion (-15.467,  17.518,  74.486)  (-15.466,  17.520,  74.506)  ( 0.01,  0.01,  0.03)
179:     oop     ( -0.647,   0.819,   2.707)  ( -0.545,   0.691,   2.277)  ( 6.61, 10.54, 15.86)
179:     vdw     (-26.588,  33.653, -24.682)  (-26.586,  33.653, -24.682)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-70.571, 413.449,  -6.654)  (-70.580, 413.518,  -6.036)  ( 0.01,  0.02,  9.28)
179:     bond    ( 24.585,  49.198,   0.771)  ( 24.613,  49.244,   0.772)  ( 0.12,  0.09,  0.05)
179:     angle   (-71.834, 356.155, -23.113)  (-71.810, 356.171, -23.113)  ( 0.03,  0.00,  0.00)
179:     torsion ( -9.725,  14.444,  21.224)  ( -9.725,  14.444,  21.230)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.353,  -0.045,  -3.367)  (  0.290,  -0.039,  -2.757)  ( 2.19,  0.03, 18.12)
179:     vdw     (-13.950,  -6.302,  -2.168)  (-13.949,  -6.301,  -2.168)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( 67.296, 345.733, -116.832)  ( 67.465, 345.534, -117.404)  ( 0.25,  0.06,  0.49)
179:     bond    ( 20.962, 334.056, -140.328)  ( 20.991, 334.095, -140.317)  ( 0.14,  0.01,  0.01)
179:     angle   ( 51.638,  24.695,  -7.235)  ( 51.658,  24.709,  -7.233)  ( 0.04,  0.06,  0.04)
179:     torsion ( -1.442,  10.041,  17.530)  ( -1.441,  10.045,  17.545)  ( 0.04,  0.04,  0.09)
179:     oop     ( -0.714,   1.530,   3.590)  ( -0.594,   1.273,   2.990)  ( 8.56, 16.80, 16.72)
179:     vdw     ( -3.149, -24.589,   9.611)  ( -3.149, -24.588,   9.611)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-63.482,  -7.984, -114.601)  (-63.515,  -7.856, -114.371)  ( 0.05,  1.60,  0.20)
179:     bond    (  1.526,  54.724, -23.955)  (  1.527,  54.752, -23.950)  ( 0.02,  0.05,  0.02)
179:     angle   (-57.069,  -2.678,  -9.760)  (-57.061,  -2.678,  -9.760)  ( 0.02,  0.00,  0.00)
179:     torsion ( 17.384, -39.452, -89.086)  ( 17.384, -39.451, -89.083)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.236,  -0.536,  -1.211)  (  0.194,  -0.438,  -0.990)  ( 1.02,  5.24, 18.26)
179:     vdw     (-25.559, -20.041,   9.411)  (-25.558, -20.041,   9.411)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-324.748, -239.216,  64.079)  (-324.734, -239.089,  64.310)  ( 0.00,  0.05,  0.36)
179:     bond    (-298.909, -143.325,   5.907)  (-298.880, -143.297,   5.912)  ( 0.01,  0.02,  0.09)
179:     angle   (-31.422, -42.662,  11.915)  (-31.404, -42.647,  11.917)  ( 0.06,  0.03,  0.02)
179:     torsion ( -4.860,  10.627,  20.995)  ( -4.860,  10.630,  21.019)  ( 0.01,  0.02,  0.12)
179:     oop     (  0.233,  -0.526,  -1.282)  (  0.197,  -0.445,  -1.083)  ( 0.83,  4.26, 15.52)
179:     vdw     ( 10.211, -63.330,  26.545)  ( 10.214, -63.330,  26.545)  ( 0.03,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (-237.204, 105.160,  -7.206)  (-237.068, 105.024,  -7.751)  ( 0.06,  0.13,  7.56)
179:     bond    (-276.789, 151.802, -85.378)  (-276.753, 151.831, -85.372)  ( 0.01,  0.02,  0.01)
179:     angle   ( 62.975, -107.332,  44.691)  ( 62.994, -107.313,  44.693)  ( 0.03,  0.02,  0.00)
179:     torsion ( -8.959,   9.460,  46.715)  ( -8.959,   9.463,  46.741)  ( 0.00,  0.03,  0.06)
179:     oop     ( -0.441,   0.992,   3.150)  ( -0.362,   0.805,   2.572)  ( 3.48, 18.47, 18.37)
179:     vdw     (-13.990,  50.238, -16.384)  (-13.988,  50.238, -16.384)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( 12.867,  56.253,  18.035)  ( 12.903,  56.306,  18.097)  ( 0.28,  0.09,  0.34)
179:     bond    (-13.555,  39.305, -14.952)  (-13.526,  39.328, -14.949)  ( 0.21,  0.06,  0.02)
179:     angle   (  3.621,  68.824, -22.507)  (  3.631,  68.838, -22.505)  ( 0.29,  0.02,  0.01)
179:     torsion ( -4.379,  10.462,  32.449)  ( -4.379,  10.465,  32.470)  ( 0.01,  0.02,  0.06)
179:     oop     (  0.027,  -0.075,  -0.222)  (  0.023,  -0.063,  -0.185)  ( 0.01,  0.09,  0.80)
179:     vdw     ( 27.152, -62.265,  23.266)  ( 27.153, -62.263,  23.266)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (193.905, -249.150, 113.403)  (193.722, -248.655, 114.753)  ( 0.09,  0.20,  1.19)
179:     bond    (187.582, -203.883,  60.781)  (187.623, -203.848,  60.788)  ( 0.02,  0.02,  0.01)
179:     angle   (-37.635, -20.082, 257.774)  (-37.622, -20.065, 257.781)  ( 0.04,  0.08,  0.00)
179:     torsion ( 45.057, -48.667, -185.202)  ( 45.058, -48.665, -185.184)  ( 0.00,  0.00,  0.01)
179:     oop     (  1.431,  -2.502,  -7.557)  (  1.193,  -2.061,  -6.238)  (16.62, 17.62, 17.45)
179:     vdw     ( -2.531,  25.983, -12.393)  ( -2.531,  25.984, -12.393)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       ( 13.498,  89.796, -22.035)  ( 13.513,  89.914, -21.812)  ( 0.11,  0.13,  1.01)
179:     bond    ( 14.795, -92.389,  33.934)  ( 14.825, -92.367,  33.938)  ( 0.20,  0.02,  0.01)
179:     angle   ( -4.599, 137.077, -47.403)  ( -4.589, 137.093, -47.401)  ( 0.21,  0.01,  0.00)
179:     torsion ( -2.797,   6.187,  23.576)  ( -2.796,   6.190,  23.595)  ( 0.01,  0.05,  0.08)
179:     oop     (  0.141,  -0.424,  -1.088)  (  0.116,  -0.349,  -0.891)  ( 0.36,  3.18, 18.10)
179:     vdw     (  5.957,  39.344, -31.053)  (  5.958,  39.346, -31.053)  ( 0.02,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (-264.108, -25.417, -102.288)  (-263.234, -26.150, -98.666)  ( 0.33,  2.89,  3.54)
179:     bond    (-109.904, -40.910,  -2.486)  (-109.872, -40.882,  -2.482)  ( 0.03,  0.07,  0.17)
179:     angle   (-195.311,   7.602, -92.894)  (-195.293,   7.618, -92.891)  ( 0.01,  0.22,  0.00)
179:     torsion (  9.228, -10.620,  14.738)  (  9.228, -10.617,  14.754)  ( 0.01,  0.02,  0.11)
179:     oop     ( -2.539,   2.424, -11.214)  ( -1.716,   1.642,  -7.615)  (32.39, 32.27, 32.09)
179:     vdw     ( 34.418,  16.088, -10.432)  ( 34.419,  16.089, -10.432)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-10.655,  -5.268,  33.617)  (-10.638,  -5.289,  33.534)  ( 0.16,  0.39,  0.25)
179:     bond    ( -0.711, -13.338,   5.041)  ( -0.711, -13.325,   5.043)  ( 0.01,  0.10,  0.04)
179:     angle   (-13.750,   0.175,  -1.474)  (-13.746,   0.175,  -1.474)  ( 0.03,  0.00,  0.01)
179:     torsion ( -5.404,  15.649,  40.584)  ( -5.404,  15.650,  40.588)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.079,   0.232,   0.602)  ( -0.067,   0.198,   0.513)  ( 0.09,  0.80,  5.37)
179:     vdw     (  9.289,  -7.986, -11.136)  (  9.290,  -7.986, -11.136)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( 66.427, -38.297,  22.022)  ( 66.501, -38.326,  21.831)  ( 0.11,  0.08,  0.86)
179:     bond    (-74.778, 101.329, -42.944)  (-74.750, 101.356, -42.940)  ( 0.04,  0.03,  0.01)
179:     angle   (122.829, -85.985,  43.246)  (122.846, -85.974,  43.248)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.391,  -1.784,  -5.935)  ( -0.390,  -1.782,  -5.918)  ( 0.01,  0.11,  0.29)
179:     oop     ( -0.156,   0.401,   1.216)  ( -0.129,   0.331,   1.004)  ( 0.42,  2.81, 17.45)
179:     vdw     ( 18.922, -52.258,  26.438)  ( 18.925, -52.258,  26.438)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (  3.198,   9.195,  -4.323)  (  3.204,   9.206,  -4.326)  ( 0.19,  0.12,  0.07)
179:     bond    (  0.210,  14.965,  -4.957)  (  0.211,  14.979,  -4.956)  ( 0.00,  0.09,  0.03)
179:     angle   (-14.465,  -0.365,  -1.719)  (-14.461,  -0.365,  -1.719)  ( 0.03,  0.00,  0.00)
179:     torsion (  0.130,  -0.332,  -1.002)  (  0.130,  -0.332,  -0.997)  ( 0.00,  0.02,  0.45)
179:     oop     ( -0.007,   0.018,   0.053)  ( -0.006,   0.015,   0.044)  ( 0.00,  0.01,  0.05)
179:     vdw     ( 17.329,  -5.091,   3.301)  ( 17.330,  -5.090,   3.301)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( 17.048, -54.468,  19.577)  ( 17.058, -54.447,  19.617)  ( 0.06,  0.04,  0.21)
179:     bond    ( 38.909, -24.186,  13.345)  ( 38.921, -24.181,  13.346)  ( 0.03,  0.02,  0.01)
179:     angle   ( 26.991,  38.282,  -9.354)  ( 26.993,  38.285,  -9.354)  ( 0.01,  0.01,  0.00)
179:     torsion (  1.051,  -2.570,  -7.725)  (  1.051,  -2.570,  -7.722)  ( 0.01,  0.01,  0.04)
179:     oop     (  0.031,  -0.077,  -0.230)  (  0.026,  -0.065,  -0.195)  ( 0.02,  0.09,  0.82)
179:     vdw     (-49.934, -65.917,  23.541)  (-49.933, -65.916,  23.542)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (278.663,   5.967, 262.660)  (278.204,   9.369, 253.668)  ( 0.16, 57.02,  3.42)
179:     bond    (180.951,  70.243, 137.128)  (180.987,  70.270, 137.138)  ( 0.02,  0.04,  0.01)
179:     angle   ( 82.812, -42.011, 198.186)  ( 82.825, -41.995, 198.196)  ( 0.02,  0.04,  0.01)
179:     torsion ( 18.286,  -3.713, -101.874)  ( 18.286,  -3.712, -101.868)  ( 0.00,  0.03,  0.01)
179:     oop     (  1.318, -11.030,  27.670)  (  0.809,  -7.673,  18.651)  (38.58, 30.44, 32.59)
179:     vdw     ( -4.704,  -7.522,   1.551)  ( -4.704,  -7.521,   1.551)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( 84.082, -105.411, -282.117)  ( 84.177, -105.539, -282.518)  ( 0.11,  0.12,  0.14)
179:     bond    (-11.281, -124.452,  87.022)  (-11.271, -124.418,  87.044)  ( 0.08,  0.03,  0.02)
179:     angle   (160.110,   8.205, -361.401)  (160.118,   8.215, -361.388)  ( 0.00,  0.11,  0.00)
179:     torsion (-43.213, -25.781,   2.923)  (-43.215, -25.781,   2.925)  ( 0.01,  0.00,  0.06)
179:     oop     ( -0.470,   0.957,   2.442)  ( -0.392,   0.785,   2.004)  ( 3.68, 16.40, 17.91)
179:     vdw     (-21.064,  35.661, -13.103)  (-21.063,  35.661, -13.103)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (-42.175, -64.158,  24.966)  (-42.160, -64.153,  24.962)  ( 0.04,  0.01,  0.02)
179:     bond    ( 13.563,  -8.815,   6.597)  ( 13.572,  -8.811,   6.599)  ( 0.07,  0.04,  0.03)
179:     angle   (-45.163, -62.520,   9.406)  (-45.161, -62.517,   9.406)  ( 0.00,  0.00,  0.00)
179:     torsion ( -4.924,   6.352,  18.603)  ( -4.924,   6.352,  18.606)  ( 0.01,  0.01,  0.02)
179:     oop     ( -0.021,   0.027,   0.078)  ( -0.018,   0.023,   0.068)  ( 0.01,  0.01,  0.08)
179:     vdw     ( -5.630,   0.799,  -9.718)  ( -5.629,   0.800,  -9.718)  ( 0.02,  0.10,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( 67.449, -41.898, -169.761)  ( 67.635, -43.654, -167.348)  ( 0.28,  4.19,  1.42)
179:     bond    ( 97.077, -132.695, -184.757)  ( 97.096, -132.670, -184.735)  ( 0.02,  0.02,  0.01)
179:     angle   ( 16.888,  31.742,  -3.539)  ( 16.903,  31.755,  -3.528)  ( 0.09,  0.04,  0.33)
179:     torsion (-24.977,  16.521,  -6.853)  (-24.976,  16.522,  -6.851)  ( 0.01,  0.01,  0.03)
179:     oop     ( -0.353,   5.757,  -7.625)  ( -0.205,   3.961,  -5.249)  ( 5.25, 31.20, 31.17)
179:     vdw     (-21.185,  36.777,  33.015)  (-21.184,  36.777,  33.015)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (-42.589, 167.344, -55.096)  (-43.025, 166.640, -51.907)  ( 1.02,  0.42,  5.79)
179:     bond    (-111.773, 201.469, -32.121)  (-111.748, 201.491, -32.102)  ( 0.02,  0.01,  0.06)
179:     angle   (  5.513, -26.008, -36.202)  (  5.527, -25.993, -36.190)  ( 0.24,  0.06,  0.03)
179:     torsion ( -0.714,  -9.763,  60.169)  ( -0.713,  -9.761,  60.171)  ( 0.06,  0.02,  0.00)
179:     oop     (  1.667,   2.637,  -9.518)  (  1.190,   1.892,  -6.363)  (28.60, 28.23, 33.15)
179:     vdw     ( 62.718,  -0.991, -37.423)  ( 62.719,  -0.989, -37.423)  ( 0.00,  0.21,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (-33.512,  23.063,  -3.966)  (-33.501,  23.071,  -3.963)  ( 0.03,  0.03,  0.09)
179:     bond    (-31.077,  20.848,  -2.732)  (-31.067,  20.852,  -2.732)  ( 0.03,  0.02,  0.00)
179:     angle   (-15.774, -26.485, -22.772)  (-15.773, -26.483, -22.770)  ( 0.01,  0.01,  0.01)
179:     torsion (  2.488,   4.108,   3.058)  (  2.488,   4.108,   3.058)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.851,  24.593,  18.480)  ( 10.851,  24.594,  18.480)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( 10.571, -19.110,  36.550)  ( 10.574, -19.105,  36.563)  ( 0.03,  0.03,  0.04)
179:     bond    (  2.555,  -9.282,  29.641)  (  2.555,  -9.281,  29.653)  ( 0.00,  0.01,  0.04)
179:     angle   (  9.571,  -6.146,  -2.748)  (  9.573,  -6.143,  -2.747)  ( 0.03,  0.06,  0.01)
179:     torsion (  3.442, -10.375,  -3.544)  (  3.442, -10.375,  -3.544)  ( 0.02,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.997,   6.693,  13.201)  ( -4.997,   6.693,  13.201)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( 19.423,   7.923,   3.579)  ( 19.832,   8.669,  -1.831)  ( 2.10,  9.42, 151.16)
179:     bond    ( 17.215, -149.752,  27.789)  ( 17.241, -149.732,  27.807)  ( 0.15,  0.01,  0.07)
179:     angle   (  7.197,  94.829, -53.684)  (  7.210,  94.843, -53.673)  ( 0.18,  0.02,  0.02)
179:     torsion (  1.418,   9.176,   1.378)  (  1.419,   9.178,   1.380)  ( 0.04,  0.01,  0.12)
179:     oop     ( -0.780,  -1.502,  11.549)  ( -0.412,  -0.793,   6.107)  (28.72, 47.20, 47.12)
179:     vdw     ( -5.626,  55.172,  16.547)  ( -5.626,  55.173,  16.548)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (  1.060, -29.258, -33.345)  (  1.064, -29.248, -33.337)  ( 0.43,  0.03,  0.02)
179:     bond    ( -0.887, -26.615, -23.717)  ( -0.888, -26.607, -23.711)  ( 0.01,  0.03,  0.03)
179:     angle   (-18.258,  -0.087,   0.779)  (-18.254,  -0.086,   0.780)  ( 0.02,  0.01,  0.11)
179:     torsion (  5.322,  -1.135,   1.073)  (  5.323,  -1.134,   1.074)  ( 0.01,  0.03,  0.04)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.883,  -1.420, -11.480)  ( 14.883,  -1.420, -11.480)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( 13.145,  18.444,  16.037)  ( 11.955,  21.723,  11.825)  ( 9.06, 17.78, 26.26)
179:     bond    (-94.231,  40.802, 117.863)  (-94.212,  40.826, 117.885)  ( 0.02,  0.06,  0.02)
179:     angle   ( 50.490,  12.886, -87.023)  ( 50.504,  12.899, -87.011)  ( 0.03,  0.10,  0.01)
179:     torsion (  8.637,  -1.660,  -3.054)  (  8.638,  -1.660,  -3.052)  ( 0.01,  0.05,  0.05)
179:     oop     (  2.615,  -6.878,   9.013)  (  1.389,  -3.638,   4.766)  (46.87, 47.11, 47.12)
179:     vdw     ( 45.634, -26.705, -20.762)  ( 45.635, -26.705, -20.762)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( 13.802,   5.192,  43.786)  ( 13.807,   5.198,  43.798)  ( 0.04,  0.10,  0.03)
179:     bond    (  5.791, -12.703,  30.382)  (  5.791, -12.701,  30.394)  ( 0.00,  0.01,  0.04)
179:     angle   (-16.364,   4.009,   4.793)  (-16.360,   4.012,   4.793)  ( 0.02,  0.05,  0.01)
179:     torsion ( -7.294,   3.616,   2.901)  ( -7.294,   3.617,   2.901)  ( 0.00,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 31.670,  10.269,   5.710)  ( 31.670,  10.270,   5.710)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       (-226.813, -179.102,  52.340)  (-221.922, -183.663,  68.873)  ( 2.16,  2.55, 31.59)
179:     bond    (-177.616, -107.417, -25.193)  (-177.588, -107.390, -25.182)  ( 0.02,  0.03,  0.04)
179:     angle   (-45.676, -83.275, 105.305)  (-45.666, -83.266, 105.315)  ( 0.02,  0.01,  0.01)
179:     torsion ( -6.273,  -6.860,   7.241)  ( -6.273,  -6.860,   7.242)  ( 0.01,  0.01,  0.02)
179:     oop     (-10.324,   9.769, -35.043)  ( -5.472,   5.171, -18.531)  (47.00, 47.06, 47.12)
179:     vdw     ( 13.077,   8.681,   0.030)  ( 13.077,   8.682,   0.030)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (-14.391,   7.028, -45.466)  (-14.387,   7.032, -45.454)  ( 0.03,  0.07,  0.03)
179:     bond    ( -5.154,  13.357, -29.996)  ( -5.153,  13.359, -29.984)  ( 0.00,  0.02,  0.04)
179:     angle   ( -2.656,  -8.614,  -3.382)  ( -2.652,  -8.612,  -3.381)  ( 0.15,  0.02,  0.02)
179:     torsion (  3.759, -15.013,  -7.335)  (  3.759, -15.012,  -7.334)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.341,  17.298,  -4.754)  (-10.340,  17.298,  -4.754)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -5.253,  36.842,  25.540)  ( -5.248,  36.851,  25.547)  ( 0.08,  0.03,  0.03)
179:     bond    (  2.097,  29.406,  25.397)  (  2.096,  29.414,  25.403)  ( 0.01,  0.03,  0.02)
179:     angle   ( -4.491,  -4.048,   5.055)  ( -4.486,  -4.047,   5.056)  ( 0.09,  0.03,  0.03)
179:     torsion ( -3.188,   5.779,  -6.429)  ( -3.188,   5.779,  -6.429)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.330,   5.705,   1.517)  (  0.330,   5.705,   1.517)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( 35.113, -27.798,  -3.420)  ( 35.124, -27.791,  -3.417)  ( 0.03,  0.02,  0.09)
179:     bond    ( 33.176, -19.737,   2.161)  ( 33.186, -19.733,   2.160)  ( 0.03,  0.02,  0.01)
179:     angle   ( -3.776,  -5.907,   4.053)  ( -3.775,  -5.904,   4.056)  ( 0.02,  0.05,  0.07)
179:     torsion (  0.494,   0.030,  -7.310)  (  0.494,   0.030,  -7.309)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.219,  -2.184,  -2.324)  (  5.219,  -2.184,  -2.324)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (-17.885,  11.410, -42.928)  (-17.882,  11.416, -42.915)  ( 0.02,  0.05,  0.03)
179:     bond    ( -3.438,   9.943, -31.450)  ( -3.438,   9.945, -31.438)  ( 0.00,  0.01,  0.04)
179:     angle   (-10.542,   1.949,   1.770)  (-10.540,   1.953,   1.770)  ( 0.02,  0.18,  0.02)
179:     torsion (-10.875,   9.024,   4.044)  (-10.875,   9.025,   4.044)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.970,  -9.506, -17.292)  (  6.970,  -9.506, -17.291)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       ( 95.444,  75.761, -29.268)  ( 91.463,  76.420, -36.087)  ( 4.17,  0.87, 23.30)
179:     bond    ( 79.454,  68.430, -40.021)  ( 79.465,  68.438, -40.019)  ( 0.01,  0.01,  0.01)
179:     angle   (-13.089,   3.160, -20.582)  (-13.088,   3.162, -20.580)  ( 0.01,  0.08,  0.01)
179:     torsion (  5.630,  -0.653,  10.064)  (  5.630,  -0.653,  10.064)  ( 0.00,  0.01,  0.00)
179:     oop     (  8.489,  -1.389,  14.481)  (  4.494,  -0.740,   7.658)  (47.06, 46.69, 47.11)
179:     vdw     ( 14.961,   6.212,   6.789)  ( 14.961,   6.213,   6.789)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (189.454, -110.770,  76.092)  (189.503, -110.748,  75.776)  ( 0.03,  0.02,  0.42)
179:     bond    ( -2.952, -17.848,   0.346)  ( -2.951, -17.815,   0.346)  ( 0.03,  0.18,  0.00)
179:     angle   (134.063, -21.890,  16.377)  (134.071, -21.890,  16.377)  ( 0.01,  0.00,  0.00)
179:     torsion ( -5.870,   1.961,  50.922)  ( -5.870,   1.961,  50.924)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.172,   0.057,   1.440)  ( -0.135,   0.044,   1.123)  ( 0.65,  0.07, 21.99)
179:     vdw     ( 64.385, -73.050,   7.007)  ( 64.387, -73.048,   7.006)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (-114.085, -436.257,  -8.826)  (-114.031, -436.226,  -8.959)  ( 0.05,  0.01,  1.51)
179:     bond    (-43.893, -58.475,  -1.380)  (-43.862, -58.455,  -1.379)  ( 0.07,  0.03,  0.06)
179:     angle   (-17.582, -340.487,  16.912)  (-17.577, -340.471,  16.914)  ( 0.03,  0.00,  0.01)
179:     torsion (  3.958,  -1.494, -32.890)  (  3.958,  -1.494, -32.888)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.137,   0.049,   1.124)  ( -0.120,   0.043,   0.986)  ( 0.23,  0.03, 12.29)
179:     vdw     (-56.431, -35.849,   7.408)  (-56.430, -35.849,   7.408)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (-145.580, 277.134, -34.469)  (-145.559, 277.149, -34.468)  ( 0.01,  0.01,  0.00)
179:     bond    ( 58.595,  46.521,   3.695)  ( 58.611,  46.531,   3.696)  ( 0.03,  0.02,  0.01)
179:     angle   (-126.434, 161.100, -23.313)  (-126.430, 161.103, -23.313)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.371,  -0.199,  -3.388)  (  0.371,  -0.199,  -3.387)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-78.112,  69.712, -11.463)  (-78.110,  69.713, -11.464)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (-187.163, -27.561,  60.499)  (-187.130, -27.545,  60.523)  ( 0.02,  0.06,  0.04)
179:     bond    ( 15.389, -25.488, -12.365)  ( 15.417, -25.476, -12.350)  ( 0.18,  0.05,  0.12)
179:     angle   (-175.348, -38.674,  66.261)  (-175.342, -38.668,  66.270)  ( 0.00,  0.01,  0.01)
179:     torsion (-31.171,  14.161,   5.951)  (-31.172,  14.159,   5.949)  ( 0.00,  0.02,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.967,  22.439,   0.652)  (  3.967,  22.440,   0.652)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (133.139,  15.824, 156.200)  (133.159,  15.846, 156.232)  ( 0.02,  0.13,  0.02)
179:     bond    (  1.917, -24.367, -14.029)  (  1.935, -24.350, -14.008)  ( 0.91,  0.07,  0.15)
179:     angle   (106.617,   4.098, 150.618)  (106.621,   4.105, 150.629)  ( 0.00,  0.15,  0.01)
179:     torsion ( 35.985,  22.581,  18.000)  ( 35.983,  22.579,  17.999)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-11.380,  13.512,   1.610)  (-11.380,  13.513,   1.610)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       ( 62.861,  47.608, -92.087)  ( 62.865,  47.613, -92.079)  ( 0.01,  0.01,  0.01)
179:     bond    (-24.635,  43.305, -50.958)  (-24.634,  43.309, -50.951)  ( 0.01,  0.01,  0.01)
179:     angle   ( 70.576,   3.937, -30.777)  ( 70.578,   3.938, -30.776)  ( 0.00,  0.01,  0.00)
179:     torsion ( 21.159,  -0.459, -10.620)  ( 21.158,  -0.459, -10.620)  ( 0.00,  0.02,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.238,   0.825,   0.267)  ( -4.238,   0.825,   0.267)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       ( 19.472, -70.371, 100.393)  ( 19.480, -70.369, 100.400)  ( 0.04,  0.00,  0.01)
179:     bond    (-48.674, -18.329,  48.688)  (-48.668, -18.329,  48.694)  ( 0.01,  0.00,  0.01)
179:     angle   ( 53.644, -47.965,  35.561)  ( 53.645, -47.964,  35.563)  ( 0.00,  0.00,  0.00)
179:     torsion ( 18.791,  -9.332,  15.268)  ( 18.791,  -9.332,  15.268)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.289,   5.255,   0.875)  ( -4.289,   5.255,   0.875)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 40       ( -2.451,  37.590, -114.230)  ( -2.447,  37.597, -114.225)  ( 0.18,  0.02,  0.00)
179:     bond    ( 38.547,  52.842, -29.733)  ( 38.551,  52.849, -29.730)  ( 0.01,  0.01,  0.01)
179:     angle   (-35.447, -11.705, -66.772)  (-35.446, -11.705, -66.769)  ( 0.00,  0.00,  0.00)
179:     torsion ( -8.694,  -5.083, -20.310)  ( -8.695,  -5.083, -20.310)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.143,   1.536,   2.584)  (  3.143,   1.537,   2.584)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (-53.959, -84.045,  72.544)  (-53.957, -84.043,  72.557)  ( 0.00,  0.00,  0.02)
179:     bond    ( 13.120, -10.545,  68.597)  ( 13.120, -10.545,  68.610)  ( 0.00,  0.00,  0.02)
179:     angle   (-50.377, -58.390,   0.659)  (-50.376, -58.387,   0.659)  ( 0.00,  0.00,  0.00)
179:     torsion (-20.091, -17.796,   1.107)  (-20.091, -17.796,   1.107)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.390,   2.685,   2.181)  (  3.390,   2.685,   2.181)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       ( 24.269,  89.804, -56.022)  ( 24.271,  89.808, -56.009)  ( 0.00,  0.01,  0.02)
179:     bond    ( 17.871,   1.513, -55.564)  ( 17.872,   1.513, -55.552)  ( 0.01,  0.02,  0.02)
179:     angle   ( -5.898,  61.600,  -0.220)  ( -5.897,  61.605,  -0.220)  ( 0.01,  0.01,  0.00)
179:     torsion ( 11.599,  28.029,   4.495)  ( 11.598,  28.029,   4.494)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.697,  -1.338,  -4.732)  (  0.697,  -1.338,  -4.732)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 24 # gradients 
179: ok 25 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-105.174, -144.268, -14.253)  (-105.139, -144.236, -14.237)  ( 0.03,  0.02,  0.11)
179:     bond    ( 10.278, -33.838,  -0.603)  ( 10.305, -33.816,  -0.603)  ( 0.26,  0.06,  0.04)
179:     angle   (-116.113, -109.997, -17.391)  (-116.106, -109.987, -17.391)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.359,  -0.205,   3.663)  ( -0.358,  -0.205,   3.677)  ( 0.01,  0.00,  0.39)
179:     oop     ( -0.004,  -0.003,   0.036)  ( -0.004,  -0.003,   0.037)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.024,  -0.225,   0.043)  (  1.024,  -0.225,   0.043)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (153.731, -28.974,  22.362)  (153.756, -28.939,  22.490)  ( 0.02,  0.12,  0.57)
179:     bond    (164.318, -90.976,  13.729)  (164.344, -90.949,  13.730)  ( 0.02,  0.03,  0.01)
179:     angle   ( -2.354,  65.055,   3.163)  ( -2.344,  65.069,   3.163)  ( 0.43,  0.02,  0.01)
179:     torsion ( -0.759,  -0.446,   6.049)  ( -0.759,  -0.446,   6.069)  ( 0.02,  0.00,  0.32)
179:     oop     (  0.070,   0.034,  -0.590)  (  0.057,   0.028,  -0.483)  ( 0.09,  0.02,  6.34)
179:     vdw     ( -7.543,  -2.641,   0.012)  ( -7.543,  -2.641,   0.012)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-196.107,  57.985,  24.397)  (-196.048,  58.038,  24.240)  ( 0.03,  0.09,  0.64)
179:     bond    (-125.927, 114.595,  -7.662)  (-125.899, 114.622,  -7.661)  ( 0.02,  0.02,  0.02)
179:     angle   (-10.976, -97.837,  -9.535)  (-10.962, -97.823,  -9.532)  ( 0.13,  0.01,  0.02)
179:     torsion ( -4.310,  -1.339,  47.040)  ( -4.310,  -1.339,  47.053)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.106,  -0.070,   1.089)  ( -0.090,  -0.059,   0.916)  ( 0.17,  0.08, 15.84)
179:     vdw     (-54.788,  42.635,  -6.536)  (-54.787,  42.636,  -6.536)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( 21.003, -132.495, -21.471)  ( 21.009, -132.491, -21.075)  ( 0.03,  0.00,  1.85)
179:     bond    ( 25.927, -12.270,   1.359)  ( 25.949, -12.244,   1.360)  ( 0.09,  0.22,  0.03)
179:     angle   ( 35.206, -105.041,  15.337)  ( 35.221, -105.032,  15.339)  ( 0.04,  0.01,  0.01)
179:     torsion (  0.139,  -0.196, -37.773)  (  0.139,  -0.196, -37.760)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.200,   0.174,  -2.187)  (  0.167,   0.142,  -1.805)  ( 0.66,  0.55, 17.44)
179:     vdw     (-40.469, -15.160,   1.792)  (-40.468, -15.160,   1.792)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-36.779, -70.807, -60.582)  (-34.794, -71.395, -56.096)  ( 5.40,  0.83,  7.41)
179:     bond    ( 74.777, -164.063, -84.429)  ( 74.801, -164.041, -84.409)  ( 0.03,  0.01,  0.02)
179:     angle   (-56.723,  75.522,  43.546)  (-56.709,  75.538,  43.556)  ( 0.02,  0.02,  0.02)
179:     torsion (  3.568,  -6.797, -17.456)  (  3.568,  -6.798, -17.454)  ( 0.00,  0.01,  0.01)
179:     oop     ( -4.447,   1.389, -10.142)  ( -2.501,   0.762,  -5.688)  (43.75, 45.13, 43.92)
179:     vdw     (-53.954,  23.142,   7.899)  (-53.953,  23.143,   7.899)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( 69.444, 172.988, -10.700)  ( 69.471, 173.014, -10.791)  ( 0.04,  0.02,  0.85)
179:     bond    (-21.543,  30.190,  -0.859)  (-21.529,  30.205,  -0.859)  ( 0.07,  0.05,  0.02)
179:     angle   ( 91.827, 137.422,  14.678)  ( 91.830, 137.425,  14.679)  ( 0.00,  0.00,  0.01)
179:     torsion (  2.672,   2.007, -24.878)  (  2.672,   2.007, -24.874)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.069,  -0.054,   0.642)  ( -0.058,  -0.045,   0.545)  ( 0.07,  0.05,  6.20)
179:     vdw     ( -3.444,   3.422,  -0.282)  ( -3.444,   3.422,  -0.282)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( 54.309,  31.278,  -7.125)  ( 52.239,  30.102, -21.105)  ( 3.81,  3.76, 196.20)
179:     bond    ( 77.926,  42.082, 172.758)  ( 77.956,  42.113, 172.767)  ( 0.04,  0.07,  0.01)
179:     angle   (-64.578, -12.164, -200.161)  (-64.567, -12.152, -200.149)  ( 0.02,  0.10,  0.01)
179:     torsion (  8.066,  -4.164, -21.071)  (  8.067,  -4.164, -21.071)  ( 0.00,  0.00,  0.00)
179:     oop     (  5.072,   2.613,  31.589)  (  2.959,   1.395,  17.586)  (41.66, 46.64, 44.33)
179:     vdw     ( 27.823,   2.910,   9.761)  ( 27.824,   2.911,   9.761)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( -2.798,  31.950, -24.954)  ( -2.794,  31.961, -24.949)  ( 0.17,  0.04,  0.02)
179:     bond    (  0.865,  37.377, -18.440)  (  0.865,  37.389, -18.437)  ( 0.02,  0.03,  0.01)
179:     angle   ( 28.069,  -8.888, -16.708)  ( 28.073,  -8.888, -16.706)  ( 0.01,  0.01,  0.01)
179:     torsion (  2.389,  -0.908,  -1.729)  (  2.389,  -0.908,  -1.730)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-34.121,   4.368,  11.923)  (-34.120,   4.368,  11.924)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       ( -2.250,  12.393,  41.148)  ( -2.246,  12.396,  41.161)  ( 0.19,  0.02,  0.03)
179:     bond    (  4.780,   4.268,  30.232)  (  4.780,   4.268,  30.245)  ( 0.00,  0.00,  0.04)
179:     angle   ( 16.232, -17.244,  -0.133)  ( 16.236, -17.241,  -0.133)  ( 0.02,  0.02,  0.00)
179:     torsion ( -5.400,   9.053,  -0.424)  ( -5.400,   9.053,  -0.424)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-17.862,  16.316,  11.473)  (-17.862,  16.317,  11.473)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  4.355, -18.419, -24.741)  (  5.319, -16.378, -20.159)  (22.12, 11.08, 18.52)
179:     bond    (-102.642, 129.702, -111.077)  (-102.623, 129.728, -111.057)  ( 0.02,  0.02,  0.02)
179:     angle   ( 75.638, -71.325,  99.210)  ( 75.652, -71.312,  99.221)  ( 0.02,  0.02,  0.01)
179:     torsion (  8.695,  -4.828, -10.298)  (  8.695,  -4.827, -10.297)  ( 0.01,  0.01,  0.01)
179:     oop     ( -2.278,  -4.478, -10.233)  ( -1.350,  -2.478,  -5.685)  (40.72, 44.66, 44.45)
179:     vdw     ( 24.943, -67.490,   7.658)  ( 24.944, -67.489,   7.658)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       ( 63.010,  99.225,  20.093)  ( 63.056,  99.274,  19.959)  ( 0.07,  0.05,  0.66)
179:     bond    ( 79.413,  99.565,  30.684)  ( 79.432,  99.585,  30.703)  ( 0.02,  0.02,  0.06)
179:     angle   ( -9.952,  30.935, -40.453)  ( -9.940,  30.948, -40.444)  ( 0.12,  0.04,  0.02)
179:     torsion ( -3.372,  -4.783,  32.081)  ( -3.372,  -4.782,  32.085)  ( 0.02,  0.02,  0.01)
179:     oop     ( -0.063,  -0.069,   0.766)  ( -0.049,  -0.054,   0.602)  ( 0.08,  0.10, 12.59)
179:     vdw     ( -3.016, -26.423,  -2.986)  ( -3.016, -26.422,  -2.986)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       ( 37.547, -27.696,   4.109)  ( 37.556, -27.688,   4.113)  ( 0.03,  0.03,  0.09)
179:     bond    ( 28.298, -24.654, -12.032)  ( 28.305, -24.649, -12.031)  ( 0.02,  0.02,  0.01)
179:     angle   ( 22.190,  33.253, -15.922)  ( 22.192,  33.255, -15.920)  ( 0.01,  0.01,  0.02)
179:     torsion ( -2.195, -14.384,  24.305)  ( -2.195, -14.384,  24.306)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.747, -21.911,   7.758)  (-10.746, -21.910,   7.758)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-11.344,  26.770,  42.444)  (-11.341,  26.774,  42.458)  ( 0.03,  0.02,  0.03)
179:     bond    (  2.456,   2.184,  29.140)  (  2.456,   2.184,  29.154)  ( 0.00,  0.00,  0.05)
179:     angle   ( -9.382,  12.875,  -0.175)  ( -9.380,  12.879,  -0.175)  ( 0.03,  0.03,  0.00)
179:     torsion (-13.673,  31.478,  -1.206)  (-13.673,  31.478,  -1.206)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  9.254, -19.767,  14.685)  (  9.255, -19.767,  14.685)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (-22.304,   3.401, -47.032)  (-22.301,   3.406, -47.020)  ( 0.02,  0.14,  0.03)
179:     bond    (  2.349, -14.286, -31.725)  (  2.349, -14.284, -31.714)  ( 0.00,  0.02,  0.04)
179:     angle   (  2.309,   3.874,  -1.575)  (  2.312,   3.876,  -1.575)  ( 0.13,  0.05,  0.03)
179:     torsion (-21.642,  16.962,  -9.243)  (-21.642,  16.962,  -9.243)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.320,  -3.149,  -4.488)  ( -5.320,  -3.149,  -4.488)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       (  4.077, -33.813,  26.813)  (  4.081, -33.804,  26.821)  ( 0.09,  0.03,  0.03)
179:     bond    ( -6.848, -27.243,  24.405)  ( -6.848, -27.236,  24.411)  ( 0.00,  0.03,  0.02)
179:     angle   (-10.498,   9.945,   8.151)  (-10.495,   9.946,   8.153)  ( 0.03,  0.01,  0.02)
179:     torsion ( 24.181, -10.781,  -5.244)  ( 24.181, -10.780,  -5.244)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.757,  -5.734,  -0.499)  ( -2.757,  -5.734,  -0.499)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( 11.733,  55.009,  10.634)  ( 11.749,  55.015,  10.625)  ( 0.13,  0.01,  0.09)
179:     bond    ( -1.222,   0.315,  -0.136)  ( -1.208,   0.316,  -0.136)  ( 1.13,  0.03,  0.00)
179:     angle   ( 14.081,  55.806,   4.778)  ( 14.081,  55.810,   4.778)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.765,  -0.332,   6.032)  ( -0.765,  -0.332,   6.036)  ( 0.01,  0.00,  0.07)
179:     oop     ( -0.007,  -0.003,   0.058)  ( -0.006,  -0.002,   0.045)  ( 0.00,  0.00,  0.08)
179:     vdw     ( -0.355,  -0.778,  -0.098)  ( -0.354,  -0.778,  -0.098)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( 10.482,  -3.158,   6.402)  ( 10.492,  -3.140,   6.353)  ( 0.10,  0.57,  0.76)
179:     bond    (  0.414,  -4.930,  -0.217)  (  0.414,  -4.915,  -0.217)  ( 0.01,  0.30,  0.00)
179:     angle   ( 12.011,   0.962,   1.115)  ( 12.015,   0.962,   1.115)  ( 0.03,  0.00,  0.01)
179:     torsion ( -0.601,  -0.285,   5.301)  ( -0.601,  -0.285,   5.307)  ( 0.00,  0.00,  0.10)
179:     oop     ( -0.029,  -0.013,   0.242)  ( -0.022,  -0.010,   0.188)  ( 0.02,  0.00,  1.30)
179:     vdw     ( -1.313,   1.108,  -0.039)  ( -1.312,   1.108,  -0.039)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       ( 30.780, 158.107,  64.874)  ( 30.139, 157.939,  69.869)  ( 2.08,  0.11,  7.70)
179:     bond    (-95.903,  15.782, -199.133)  (-95.875,  15.805, -199.113)  ( 0.03,  0.14,  0.01)
179:     angle   (118.197, 123.500, 291.853)  (118.211, 123.516, 291.869)  ( 0.01,  0.01,  0.01)
179:     torsion ( -3.589,  -2.850,  -0.620)  ( -3.588,  -2.848,  -0.620)  ( 0.01,  0.08,  0.03)
179:     oop     (  1.121,   0.814, -10.905)  (  0.437,   0.604,  -5.947)  (61.03, 17.03, 45.47)
179:     vdw     ( 10.954,  20.861, -16.321)  ( 10.955,  20.862, -16.320)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (-37.631, -20.339, -59.768)  (-37.591, -20.305, -59.727)  ( 0.11,  0.17,  0.07)
179:     bond    (-19.638,  14.035,  -5.470)  (-19.621,  14.046,  -5.441)  ( 0.09,  0.08,  0.52)
179:     angle   (  2.156, -75.195, -60.635)  (  2.166, -75.187, -60.622)  ( 0.48,  0.01,  0.02)
179:     torsion (-13.317, -12.946,  -5.513)  (-13.310, -12.934,  -5.513)  ( 0.06,  0.09,  0.00)
179:     oop     ( -0.048,  -0.052,   0.010)  ( -0.045,  -0.050,   0.008)  ( 0.02,  0.01,  0.00)
179:     vdw     ( -6.784,  53.819,  11.841)  ( -6.782,  53.820,  11.841)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (-154.713, -430.872, -83.506)  (-155.090, -430.681, -83.227)  ( 0.24,  0.04,  0.33)
179:     bond    (-41.612, -139.052,   9.393)  (-41.596, -139.020,   9.422)  ( 0.04,  0.02,  0.31)
179:     angle   (-177.794, -307.617, -108.703)  (-177.788, -307.598, -108.689)  ( 0.00,  0.01,  0.01)
179:     torsion (  9.314,   0.875,   4.567)  (  9.313,   0.875,   4.567)  ( 0.01,  0.00,  0.00)
179:     oop     (  2.243,  -0.776,  -1.306)  (  1.843,  -0.636,  -1.070)  (17.81, 10.85, 18.03)
179:     vdw     ( 53.137,  15.698,  12.543)  ( 53.138,  15.699,  12.543)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       ( 23.892, -31.275,  44.425)  ( 23.897, -31.271,  44.438)  ( 0.02,  0.01,  0.03)
179:     bond    (  3.796,   4.971,  35.728)  (  3.796,   4.971,  35.742)  ( 0.00,  0.00,  0.04)
179:     angle   ( 25.011, -40.894,   3.030)  ( 25.015, -40.891,   3.030)  ( 0.02,  0.01,  0.00)
179:     torsion ( -1.992, -20.942,   3.124)  ( -1.993, -20.942,   3.124)  ( 0.03,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.923,  25.590,   2.541)  ( -2.922,  25.591,   2.542)  ( 0.04,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (-51.578,  14.808, -28.254)  (-51.561,  14.816, -28.214)  ( 0.03,  0.05,  0.14)
179:     bond    ( 21.566, -14.742,  79.018)  ( 21.583, -14.732,  79.046)  ( 0.08,  0.07,  0.04)
179:     angle   (-29.990,  22.642, -44.609)  (-29.981,  22.647, -44.598)  ( 0.03,  0.02,  0.03)
179:     torsion ( -7.402,  -9.999,   0.215)  ( -7.394,  -9.985,   0.215)  ( 0.10,  0.14,  0.00)
179:     oop     (  0.114,   0.145,  -0.000)  (  0.097,   0.123,  -0.000)  ( 0.20,  0.31,  0.00)
179:     vdw     (-35.866,  16.762, -62.877)  (-35.865,  16.763, -62.877)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -9.338,  -0.423, -19.364)  ( -9.298,  -0.387, -19.323)  ( 0.42,  1.55,  0.21)
179:     bond    (-22.601,  16.510,  33.915)  (-22.583,  16.521,  33.940)  ( 0.08,  0.07,  0.07)
179:     angle   (  9.256,  -6.399,  21.189)  (  9.262,  -6.395,  21.204)  ( 0.07,  0.06,  0.07)
179:     torsion ( -3.635,  -4.954,   0.185)  ( -3.627,  -4.941,   0.185)  ( 0.21,  0.28,  0.00)
179:     oop     ( -0.037,  -0.049,  -0.001)  ( -0.030,  -0.040,  -0.000)  ( 0.02,  0.04,  0.00)
179:     vdw     (  7.680,  -5.532, -74.653)  (  7.679,  -5.532, -74.651)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( 14.625,  -7.992,  -3.371)  ( 14.695,  -7.915,  -3.331)  ( 0.48,  0.96,  1.18)
179:     bond    (-19.694,  14.338,  19.140)  (-19.678,  14.348,  19.169)  ( 0.08,  0.07,  0.15)
179:     angle   (-13.808,  10.641,   1.140)  (-13.800,  10.646,   1.151)  ( 0.06,  0.05,  0.92)
179:     torsion (  2.277,   2.841,   0.060)  (  2.285,   2.855,   0.060)  ( 0.34,  0.48,  0.00)
179:     oop     ( -0.215,  -0.283,  -0.004)  ( -0.179,  -0.235,  -0.003)  ( 0.77,  1.35,  0.00)
179:     vdw     ( 46.065, -35.530, -23.708)  ( 46.065, -35.529, -23.707)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( 11.032,  -8.892,   3.661)  ( 11.029,  -8.910,   3.700)  ( 0.03,  0.21,  1.08)
179:     bond    (-43.220,  33.860,  -7.922)  (-43.203,  33.871,  -7.894)  ( 0.04,  0.03,  0.35)
179:     angle   (  5.370,  -2.751, -38.560)  (  5.378,  -2.746, -38.548)  ( 0.15,  0.17,  0.03)
179:     torsion ( -1.231,  -1.470,   0.029)  ( -1.223,  -1.457,   0.029)  ( 0.66,  0.90,  0.00)
179:     oop     (  0.244,   0.314,   0.008)  (  0.207,   0.266,   0.007)  ( 0.90,  1.49,  0.00)
179:     vdw     ( 49.870, -38.844,  50.106)  ( 49.870, -38.843,  50.106)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( 35.040, -11.112,  -7.538)  ( 35.159, -10.971,  -7.494)  ( 0.34,  1.27,  0.58)
179:     bond    ( -3.115,   5.491, -146.885)  ( -3.097,   5.502, -146.863)  ( 0.59,  0.21,  0.01)
179:     angle   ( 28.451, -22.074,  68.116)  ( 28.456, -22.071,  68.132)  ( 0.02,  0.01,  0.02)
179:     torsion (  6.340,   7.205,  -0.976)  (  6.347,   7.216,  -0.976)  ( 0.10,  0.15,  0.00)
179:     oop     ( -0.524,  -0.680,  -0.024)  ( -0.436,  -0.565,  -0.020)  ( 4.64,  7.85,  0.01)
179:     vdw     (  3.888,  -1.054,  72.231)  (  3.888,  -1.054,  72.233)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( 26.429,   5.628,  15.362)  ( 26.436,   5.634,  15.371)  ( 0.03,  0.10,  0.06)
179:     bond    ( 14.560, -10.532,  14.887)  ( 14.566, -10.528,  14.894)  ( 0.04,  0.03,  0.04)
179:     angle   ( -8.953,   6.848,  13.594)  ( -8.952,   6.849,  13.596)  ( 0.01,  0.01,  0.02)
179:     torsion ( 15.921,  21.527,  -0.353)  ( 15.923,  21.530,  -0.353)  ( 0.01,  0.02,  0.00)
179:     oop     (  0.008,   0.010,  -0.000)  (  0.006,   0.009,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.893, -12.226, -12.766)  (  4.893, -12.226, -12.766)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       ( -5.528,  11.974,  -8.448)  ( -5.523,  11.977,  -8.440)  ( 0.09,  0.02,  0.10)
179:     bond    (-11.891,   9.551, -11.628)  (-11.885,   9.555, -11.622)  ( 0.05,  0.04,  0.05)
179:     angle   ( -4.069,   3.054,   6.669)  ( -4.068,   3.055,   6.672)  ( 0.02,  0.02,  0.04)
179:     torsion (  3.575,   4.553,   0.087)  (  3.577,   4.556,   0.087)  ( 0.05,  0.07,  0.00)
179:     oop     (  0.025,   0.032,   0.001)  (  0.021,   0.026,   0.001)  ( 0.01,  0.02,  0.00)
179:     vdw     (  6.832,  -5.216,  -3.577)  (  6.832,  -5.216,  -3.577)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -4.119,  18.843,  76.496)  ( -4.146,  18.806,  76.506)  ( 0.66,  0.19,  0.01)
179:     bond    ( -3.906,   1.114,  49.703)  ( -3.906,   1.113,  49.715)  ( 0.00,  0.01,  0.02)
179:     angle   (-35.531,  27.684,  -3.411)  (-35.530,  27.685,  -3.411)  ( 0.00,  0.00,  0.00)
179:     torsion ( 10.449,  13.670,   0.515)  ( 10.449,  13.671,   0.515)  ( 0.01,  0.01,  0.00)
179:     oop     (  0.184,   0.238,   0.009)  (  0.154,   0.199,   0.008)  ( 0.55,  0.93,  0.00)
179:     vdw     ( 24.685, -23.863,  29.680)  ( 24.686, -23.862,  29.681)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( -5.820,  -7.368,  15.017)  ( -5.823,  -7.374,  15.032)  ( 0.06,  0.08,  0.10)
179:     bond    ( -1.988,   1.341,  17.656)  ( -1.988,   1.342,  17.671)  ( 0.01,  0.01,  0.08)
179:     angle   (  1.111,  -0.844,   0.189)  (  1.113,  -0.843,   0.189)  ( 0.23,  0.12,  0.00)
179:     torsion ( -5.653,  -7.515,  -0.065)  ( -5.651,  -7.512,  -0.065)  ( 0.03,  0.04,  0.00)
179:     oop     (  0.049,   0.065,   0.001)  (  0.041,   0.054,   0.000)  ( 0.04,  0.07,  0.00)
179:     vdw     (  0.661,  -0.415,  -2.763)  (  0.661,  -0.415,  -2.763)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (-12.539,   6.067,   5.303)  (-12.546,   6.052,   5.309)  ( 0.06,  0.25,  0.10)
179:     bond    (-12.860,   9.733,   6.528)  (-12.852,   9.738,   6.530)  ( 0.06,  0.05,  0.03)
179:     angle   (  0.009,  -0.020,   0.044)  (  0.009,  -0.020,   0.047)  ( 0.00,  0.00,  0.02)
179:     torsion ( -1.782,  -2.314,  -0.057)  ( -1.780,  -2.311,  -0.057)  ( 0.10,  0.14,  0.00)
179:     oop     (  0.107,   0.140,   0.002)  (  0.089,   0.116,   0.001)  ( 0.19,  0.33,  0.00)
179:     vdw     (  1.988,  -1.472,  -1.213)  (  1.988,  -1.472,  -1.212)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (-21.475, -19.086,  14.442)  (-21.268, -19.132,  14.340)  ( 0.96,  0.24,  0.70)
179:     bond    (-28.227, -40.479, -24.358)  (-28.218, -40.461, -24.351)  ( 0.03,  0.05,  0.03)
179:     angle   ( -7.269,  20.713, -26.004)  ( -7.269,  20.716, -25.999)  ( 0.00,  0.02,  0.02)
179:     torsion (-17.297,   5.979,  10.109)  (-17.297,   5.979,  10.109)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.893,   0.309,   0.519)  ( -0.695,   0.241,   0.405)  (17.64,  2.11,  5.95)
179:     vdw     ( 32.211,  -5.608,  54.175)  ( 32.211,  -5.608,  54.176)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (191.674, 529.624,  17.656)  (191.798, 529.618,  17.621)  ( 0.07,  0.00,  0.20)
179:     bond    ( 58.236, 235.285, -11.641)  ( 58.243, 235.306, -11.617)  ( 0.01,  0.01,  0.20)
179:     angle   (117.848, 263.254,  51.661)  (117.853, 263.265,  51.664)  ( 0.00,  0.00,  0.01)
179:     torsion (  7.170,  -2.214,  -3.132)  (  7.171,  -2.214,  -3.132)  ( 0.02,  0.01,  0.02)
179:     oop     ( -0.723,   0.249,   0.417)  ( -0.612,   0.211,   0.354)  ( 8.03,  0.96,  2.67)
179:     vdw     (  9.142,  33.049, -19.649)  (  9.142,  33.050, -19.648)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (-95.864, -304.195, -16.249)  (-95.834, -304.157, -16.216)  ( 0.03,  0.01,  0.20)
179:     bond    ( -7.830, -283.974, 125.651)  ( -7.811, -283.947, 125.671)  ( 0.25,  0.01,  0.02)
179:     angle   (-63.048, -27.767, -86.024)  (-63.038, -27.756, -86.013)  ( 0.02,  0.04,  0.01)
179:     torsion (  2.136,  -2.699,  -6.132)  (  2.137,  -2.699,  -6.131)  ( 0.06,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-27.123,  10.246, -49.744)  (-27.122,  10.246, -49.743)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (-19.068,  11.021, -38.923)  (-19.063,  11.024, -38.912)  ( 0.03,  0.03,  0.03)
179:     bond    (-21.019,  -1.122, -37.942)  (-21.016,  -1.122, -37.932)  ( 0.01,  0.02,  0.03)
179:     angle   (  3.075,  12.287,  -2.069)  (  3.076,  12.290,  -2.068)  ( 0.05,  0.03,  0.03)
179:     torsion ( -1.170,   0.310,   0.639)  ( -1.170,   0.310,   0.639)  ( 0.02,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.047,  -0.454,   0.449)  (  0.047,  -0.454,   0.449)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (-16.760,  36.523,  29.211)  (-16.755,  36.531,  29.218)  ( 0.03,  0.02,  0.02)
179:     bond    (-19.545,  27.111,  25.058)  (-19.543,  27.117,  25.063)  ( 0.01,  0.02,  0.02)
179:     angle   (  8.183,  -3.579,  10.250)  (  8.185,  -3.577,  10.252)  ( 0.02,  0.06,  0.02)
179:     torsion (  3.176,   0.660,   1.763)  (  3.177,   0.660,   1.763)  ( 0.01,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.575,  12.331,  -7.860)  ( -8.574,  12.332,  -7.860)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       ( 47.268,  16.793,  -9.312)  ( 47.281,  16.797,  -9.309)  ( 0.03,  0.03,  0.03)
179:     bond    ( 40.819,  12.299,  -7.273)  ( 40.832,  12.300,  -7.273)  ( 0.03,  0.01,  0.00)
179:     angle   (  4.589,  -6.863,  14.160)  (  4.589,  -6.860,  14.162)  ( 0.01,  0.04,  0.01)
179:     torsion (  0.016,   0.138,   0.323)  (  0.016,   0.138,   0.323)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.844,  11.218, -16.522)  (  1.844,  11.218, -16.521)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 26 # gradients 
179: ok 27 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
179:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
179:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
179:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
179:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
179:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
179:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
179:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
179:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
179:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
179:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
179:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
179:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
179:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
179:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
179:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
179:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
179:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
179:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
179:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
179:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
179:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
179:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
179:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
179:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
179:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
179:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
179:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
179:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
179:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
179:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
179:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
179:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
179:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
179:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
179:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
179:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
179:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
179:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
179:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
179:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
179:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
179:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
179:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
179:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
179:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
179:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
179:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
179:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
179:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
179:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
179:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
179:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
179:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
179:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
179:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
179:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
179:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
179:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
179:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
179:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
179:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
179:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
179:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
179:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
179:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
179:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
179:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
179:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
179:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
179:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
179:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
179:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
179:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
179:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
179:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
179:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
179:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
179:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
179:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
179:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
179:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
179:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
179:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
179:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
179:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
179:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
179:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
179:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
179:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
179:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
179:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
179:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
179:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
179:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
179:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
179:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
179:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
179:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
179:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
179:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
179:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
179:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
179:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
179:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
179:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
179:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
179:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
179:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
179:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
179:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
179:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
179:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
179:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
179:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
179:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
179:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
179:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
179:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
179:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
179:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
179:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
179:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
179:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
179:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
179:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
179:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
179:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
179:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
179:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
179:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
179:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
179:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
179:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
179:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
179:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
179:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
179:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
179:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
179:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
179:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
179:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
179:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
179:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
179:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
179:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
179:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
179:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
179:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
179:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
179:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
179:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
179:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
179:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
179:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
179:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
179:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
179:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
179:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
179:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 28 # gradients 
179: ok 29 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-163.075, -474.890, -57.206)  (-163.047, -474.859, -57.180)  ( 0.02,  0.01,  0.04)
179:     bond    ( 10.155,  19.969,   0.323)  ( 10.175,  19.991,   0.338)  ( 0.19,  0.11,  0.49)
179:     angle   (-166.513, -477.310, -56.180)  (-166.506, -477.302, -56.172)  ( 0.00,  0.00,  0.01)
179:     torsion (  7.010,  -4.799,  10.158)  (  7.011,  -4.798,  10.160)  ( 0.02,  0.02,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-13.727, -12.750, -11.507)  (-13.727, -12.750, -11.507)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-185.923,  62.793, 314.602)  (-185.888,  62.822, 314.635)  ( 0.02,  0.05,  0.01)
179:     bond    ( 28.291, -13.551,   9.130)  ( 28.313, -13.535,   9.151)  ( 0.08,  0.11,  0.23)
179:     angle   (-187.741,  52.878, 312.514)  (-187.730,  52.889, 312.523)  ( 0.01,  0.02,  0.00)
179:     torsion (-17.771,  15.168,  -1.323)  (-17.770,  15.170,  -1.320)  ( 0.01,  0.02,  0.21)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.702,   8.298,  -5.719)  ( -8.702,   8.298,  -5.719)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (145.042, 279.559, -217.864)  (145.366, 274.911, -220.980)  ( 0.22,  1.66,  1.43)
179:     bond    (-10.523, -16.759,  19.236)  (-10.498, -16.741,  19.252)  ( 0.24,  0.11,  0.08)
179:     angle   (141.977,  95.083, -322.895)  (141.986,  95.092, -322.885)  ( 0.01,  0.01,  0.00)
179:     torsion ( 12.311, 190.496,  93.133)  ( 12.311, 190.498,  93.135)  ( 0.00,  0.00,  0.00)
179:     oop     ( -1.275,   9.366,   7.168)  ( -0.986,   4.689,   4.023)  (22.68, 49.94, 43.87)
179:     vdw     (  2.553,   1.373, -14.505)  (  2.553,   1.373, -14.505)  ( 0.01,  0.02,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (-11.121, 280.261, 332.746)  (-11.095, 280.289, 332.776)  ( 0.24,  0.01,  0.01)
179:     bond    (  3.052, -16.442,  -9.180)  (  3.067, -16.423,  -9.158)  ( 0.51,  0.11,  0.24)
179:     angle   (-10.957, 275.042, 333.586)  (-10.947, 275.050, 333.593)  ( 0.08,  0.00,  0.00)
179:     torsion (  2.849,   6.311,  -2.954)  (  2.851,   6.313,  -2.954)  ( 0.06,  0.03,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.066,  15.350,  11.294)  ( -6.066,  15.350,  11.295)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-407.180, -1026.420, -543.624)  (-403.176, -1014.002, -526.936)  ( 0.98,  1.21,  3.07)
179:     bond    ( 44.303, -89.317, -58.711)  ( 44.329, -89.299, -58.699)  ( 0.06,  0.02,  0.02)
179:     angle   (-180.234, -528.382, 114.838)  (-180.225, -528.371, 114.849)  ( 0.01,  0.00,  0.01)
179:     torsion (-216.277, -471.062, -553.300)  (-216.275, -471.062, -553.302)  ( 0.00,  0.00,  0.00)
179:     oop     ( -9.806, -26.602, -41.203)  ( -5.841, -14.216, -24.535)  (40.44, 46.56, 40.45)
179:     vdw     (-45.164,  88.944,  -5.248)  (-45.164,  88.946,  -5.248)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (561.543, 698.044, 129.649)  (556.715, 692.073, 124.218)  ( 0.86,  0.86,  4.19)
179:     bond    (-28.103, -57.233,  82.338)  (-28.077, -57.213,  82.346)  ( 0.09,  0.04,  0.01)
179:     angle   (281.089, 416.870, -172.124)  (281.096, 416.881, -172.117)  ( 0.00,  0.00,  0.00)
179:     torsion (240.406, 261.628, 254.450)  (240.408, 261.630, 254.450)  ( 0.00,  0.00,  0.00)
179:     oop     ( 14.615,  15.383,  18.011)  (  9.750,   9.378,  12.564)  (33.29, 39.04, 30.25)
179:     vdw     ( 53.537,  61.395, -53.026)  ( 53.537,  61.396, -53.025)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (-662.354, -111.205, 141.994)  (-657.360, -112.857, 138.909)  ( 0.75,  1.49,  2.17)
179:     bond    (-168.069, -26.034,   8.805)  (-168.042, -26.012,   8.811)  ( 0.02,  0.09,  0.07)
179:     angle   (-336.147, -93.011,   9.328)  (-336.136, -93.002,   9.334)  ( 0.00,  0.01,  0.07)
179:     torsion (-252.846, -13.122, 139.543)  (-252.846, -13.121, 139.537)  ( 0.00,  0.01,  0.00)
179:     oop     (-15.508,   5.435,  12.366)  (-10.554,   3.749,   9.275)  (31.95, 31.02, 25.00)
179:     vdw     (110.216,  15.528, -28.048)  (110.219,  15.529, -28.048)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (250.136, -518.519, 549.490)  (247.415, -515.289, 546.478)  ( 1.09,  0.62,  0.55)
179:     bond    (  1.458,  71.116,  68.487)  (  1.475,  71.143,  68.499)  ( 1.21,  0.04,  0.02)
179:     angle   (154.409, -485.366, 569.972)  (154.424, -485.348, 569.983)  ( 0.01,  0.00,  0.00)
179:     torsion ( 34.783,  -7.281, -106.662)  ( 34.783,  -7.282, -106.665)  ( 0.00,  0.01,  0.00)
179:     oop     ( 10.990, -10.864,   8.861)  (  8.236,  -7.681,   5.829)  (25.06, 29.30, 34.22)
179:     vdw     ( 48.496, -86.123,   8.832)  ( 48.497, -86.121,   8.832)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (439.497, 441.908, -1179.811)  (434.517, 434.975, -1176.814)  ( 1.13,  1.57,  0.25)
179:     bond    ( 61.002,  37.800, -126.985)  ( 61.019,  37.811, -126.957)  ( 0.03,  0.03,  0.02)
179:     angle   (488.272, 508.141, -851.857)  (488.299, 508.158, -851.826)  ( 0.01,  0.00,  0.00)
179:     torsion (-69.212, -104.841, -271.849)  (-69.215, -104.847, -271.852)  ( 0.00,  0.01,  0.00)
179:     oop     ( 11.805,  20.515,  -8.930)  (  6.784,  13.558,  -5.990)  (42.54, 33.91, 32.92)
179:     vdw     (-52.371, -19.707,  79.811)  (-52.370, -19.705,  79.812)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-310.545, -438.789, 1524.655)  (-310.723, -442.223, 1511.710)  ( 0.06,  0.78,  0.85)
179:     bond    ( 70.628,  28.998,   6.944)  ( 70.646,  29.024,   6.955)  ( 0.03,  0.09,  0.16)
179:     angle   (-393.833, -564.110, 1041.613)  (-393.811, -564.068, 1041.665)  ( 0.01,  0.01,  0.01)
179:     torsion (107.997,  97.872, 391.223)  (107.999,  97.871, 391.223)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.581,  10.950,  33.987)  (  1.357,   7.451,  20.979)  (14.16, 31.96, 38.27)
179:     vdw     (-96.918, -12.500,  50.888)  (-96.915, -12.500,  50.888)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (425.491, 106.564, -171.779)  (386.458, 106.281, -139.633)  ( 9.17,  0.27, 18.71)
179:     bond    ( -9.197,  36.479,   4.844)  ( -9.178,  36.501,   4.864)  ( 0.21,  0.06,  0.39)
179:     angle   (256.003,  82.383, -340.147)  (256.014,  82.397, -340.136)  ( 0.00,  0.02,  0.00)
179:     torsion (109.631,  15.471, 237.942)  (109.634,  15.472, 237.944)  ( 0.00,  0.01,  0.00)
179:     oop     ( 63.741, -19.452, -68.052)  ( 24.674, -19.772, -35.939)  (61.29,  1.65, 47.19)
179:     vdw     (  5.314,  -8.316,  -6.366)  (  5.314,  -8.316,  -6.366)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (149.932, -39.572, -344.415)  (149.960, -39.544, -344.384)  ( 0.02,  0.07,  0.01)
179:     bond    ( -4.442,   1.405,   6.036)  ( -4.425,   1.422,   6.058)  ( 0.40,  1.19,  0.36)
179:     angle   (150.728, -38.064, -341.656)  (150.736, -38.055, -341.647)  ( 0.01,  0.02,  0.00)
179:     torsion (  2.661,  10.075,  -1.921)  (  2.662,  10.077,  -1.921)  ( 0.05,  0.02,  0.03)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
188: ok 15001
188: ok 15002
188: ok 15003
188: ok 15004
188: ok 15005
188: ok 15006
188: ok 15007
188: ok 15008
188: ok 15009
188: ok 15010
188: ok 15011
188: ok 15012
188: ok 15013
188: ok 15014
188: ok 15015
188: ok 15016
188: ok 15017
188: ok 15018
188: ok 15019
188: ok 15020
188: ok 15021
188: ok 15022
188: ok 15023
188: ok 15024
188: ok 15025
188: ok 15026
188: ok 15027
188: ok 15028
188: ok 15029
188: ok 15030
188: ok 15031
188: ok 15032
188: ok 15033
188: ok 15034
188: ok 15035
188: ok 15036
188: ok 15037
188: ok 15038
188: ok 15039
188: ok 15040
188: ok 15041
188: ok 15042
188: ok 15043
188: ok 15044
188: ok 15045
188: ok 15046
188: ok 15047
188: ok 15048
188: ok 15049
188: ok 15050
188: ok 15051
188: ok 15052
188: ok 15053
188: ok 15054
188: ok 15055
188: ok 15056
188: ok 15057
188: ok 15058
188: ok 15059
188: ok 15060
188: ok 15061
188: ok 15062
188: ok 15063
188: ok 15064
188: ok 15065
188: ok 15066
188: ok 15067
188: ok 15068
188: ok 15069
188: ok 15070
188: ok 15071
188: ok 15072
188: ok 15073
188: ok 15074
188: ok 15075
188: ok 15076
188: ok 15077
188: ok 15078
188: ok 15079
188: ok 15080
188: ok 15081
188: ok 15082
188: ok 15083
188: ok 15084
188: ok 15085
188: ok 15086
188: ok 15087
188: ok 15088
188: ok 15089
188: ok 15090
188: ok 15091
188: ok 15092
188: ok 15093
188: ok 15094
188: ok 15095
188: ok 15096
188: ok 15097
188: ok 15098
188: ok 15099
188: ok 15100
188: ok 15101
188: ok 15102
188: ok 15103
188: ok 15104
188: ok 15105
188: ok 15106
188: ok 15107
188: ok 15108
188: ok 15109
188: ok 15110
188: ok 15111
188: ok 15112
188: ok 15113
188: ok 15114
188: ok 15115
188: ok 15116
188: ok 15117
188: ok 15118
188: ok 15119
188: ok 15120
188: ok 15121
188: ok 15122
188: ok 15123
188: ok 15124
188: ok 15125
188: ok 15126
188: ok 15127
188: ok 15128
188: ok 15129
188: ok 15130
188: ok 15131
188: ok 15132
188: ok 15133
188: ok 15134
188: ok 15135
188: ok 15136
188: ok 15137
188: ok 15138
188: ok 15139
188: ok 15140
188: ok 15141
188: ok 15142
188: ok 15143
188: ok 15144
188: ok 15145
188: ok 15146
188: ok 15147
188: ok 15148
188: ok 15149
188: ok 15150
188: ok 15151
188: ok 15152
188: ok 15153
188: ok 15154
188: ok 15155
188: ok 15156
188: ok 15157
188: ok 15158
188: ok 15159
188: ok 15160
188: ok 15161
188: ok 15162
188: ok 15163
188: ok 15164
188: ok 15165
188: ok 15166
188: ok 15167
188: ok 15168
188: ok 15169
188: ok 15170
188: ok 15171
188: ok 15172
188: ok 15173
188: ok 15174
188: ok 15175
188: ok 15176
188: ok 15177
188: ok 15178
188: ok 15179
188: ok 15180
188: ok 15181
188: ok 15182
188: ok 15183
188: ok 15184
188: ok 15185
188: ok 15186
188: ok 15187
188: ok 15188
188: ok 15189
188: ok 15190
188: ok 15191
188: ok 15192
188: ok 15193
188: ok 15194
188: ok 15195
188: ok 15196
188: ok 15197
188: ok 15198
188: ok 15199
188: ok 15200
188: ok 15201
188: ok 15202
188: ok 15203
188: ok 15204
188: ok 15205
188: ok 15206
188: ok 15207
188: ok 15208
188: ok 15209
188: ok 15210
188: ok 15211
188: ok 15212
188: ok 15213
188: ok 15214
188: ok 15215
188: ok 15216
188: ok 15217
188: ok 15218
188: ok 15219
188: ok 15220
188: ok 15221
188: ok 15222
188: ok 15223
188: ok 15224
188: ok 15225
188: ok 15226
188: ok 15227
188: ok 15228
188: ok 15229
188: ok 15230
188: ok 15231
188: ok 15232
188: ok 15233
188: ok 15234
188: ok 15235
188: ok 15236
188: ok 15237
188: ok 15238
188: ok 15239
188: ok 15240
188: ok 15241
188: ok 15242
188: ok 15243
188: ok 15244
188: ok 15245
188: ok 15246
188: ok 15247
188: ok 15248
188: ok 15249
188: ok 15250
188: ok 15251
188: ok 15252
188: ok 15253
188: ok 15254
188: ok 15255
188: ok 15256
188: ok 15257
188: ok 15258
188: ok 15259
188: ok 15260
188: ok 15261
188: ok 15262
188: ok 15263
188: ok 15264
188: ok 15265
188: ok 15266
188: ok 15267
188: ok 15268
188: ok 15269
188: ok 15270
188: ok 15271
188: ok 15272
188: ok 15273
188: ok 15274
188: ok 15275
188: ok 15276
188: ok 15277
188: ok 15278
188: ok 15279
188: ok 15280
188: ok 15281
188: ok 15282
188: ok 15283
188: ok 15284
188: ok 15285
188: ok 15286
188: ok 15287
188: ok 15288
188: ok 15289
188: ok 15290
188: ok 15291
188: ok 15292
188: ok 15293
188: ok 15294
188: ok 15295
188: ok 15296
188: ok 15297
188: ok 15298
188: ok 15299
188: ok 15300
188: ok 15301
188: ok 15302
188: ok 15303
188: ok 15304
188: ok 15305
188: ok 15306
188: ok 15307
188: ok 15308
188: ok 15309
188: ok 15310
188: ok 15311
188: ok 15312
188: ok 15313
188: ok 15314
188: ok 15315
188: ok 15316
188: ok 15317
188: ok 15318
188: ok 15319
188: ok 15320
188: ok 15321
188: ok 15322
188: ok 15323
188: ok 15324
188: ok 15325
188: ok 15326
188: ok 15327
188: ok 15328
188: ok 15329
188: ok 15330
188: ok 15331
188: ok 15332
188: ok 15333
188: ok 15334
188: ok 15335
188: ok 15336
188: ok 15337
188: ok 15338
188: ok 15339
188: ok 15340
188: ok 15341
188: ok 15342
188: ok 15343
188: ok 15344
188: ok 15345
188: ok 15346
188: ok 15347
188: ok 15348
188: ok 15349
188: ok 15350
188: ok 15351
188: ok 15352
188: ok 15353
188: ok 15354
188: ok 15355
188: ok 15356
188: ok 15357
188: ok 15358
188: ok 15359
188: ok 15360
188: ok 15361
188: ok 15362
188: ok 15363
188: ok 15364
188: ok 15365
188: ok 15366
188: ok 15367
188: ok 15368
188: ok 15369
188: ok 15370
188: ok 15371
188: ok 15372
188: ok 15373
188: ok 15374
188: ok 15375
188: ok 15376
188: ok 15377
188: ok 15378
188: ok 15379
188: ok 15380
188: ok 15381
188: ok 15382
188: ok 15383
188: ok 15384
188: ok 15385
188: ok 15386
188: ok 15387
188: ok 15388
188: ok 15389
188: ok 15390
188: ok 15391
188: ok 15392
188: ok 15393
188: ok 15394
188: ok 15395
188: ok 15396
188: ok 15397
188: ok 15398
188: ok 15399
188: ok 15400
188: ok 15401
188: ok 15402
188: ok 15403
188: ok 15404
188: ok 15405
188: ok 15406
188: ok 15407
188: ok 15408
188: ok 15409
188: ok 15410
188: ok 15411
188: ok 15412
188: ok 15413
188: ok 15414
188: ok 15415
188: ok 15416
188: ok 15417
188: ok 15418
188: ok 15419
188: ok 15420
188: ok 15421
188: ok 15422
188: ok 15423
188: ok 15424
188: ok 15425
188: ok 15426
188: ok 15427
188: ok 15428
188: ok 15429
188: ok 15430
188: ok 15431
188: ok 15432
188: ok 15433
188: ok 15434
188: ok 15435
188: ok 15436
188: ok 15437
188: ok 15438
188: ok 15439
188: ok 15440
188: ok 15441
188: ok 15442
188: ok 15443
188: ok 15444
188: ok 15445
188: ok 15446
188: ok 15447
188: ok 15448
188: ok 15449
188: ok 15450
188: ok 15451
188: ok 15452
188: ok 15453
188: ok 15454
188: ok 15455
188: ok 15456
188: ok 15457
188: ok 15458
188: ok 15459
188: ok 15460
188: ok 15461
188: ok 15462
188: ok 15463
188: ok 15464
188: ok 15465
188: ok 15466
188: ok 15467
188: ok 15468
188: ok 15469
188: ok 15470
188: ok 15471
188: ok 15472
188: ok 15473
188: ok 15474
188: ok 15475
188: ok 15476
188: ok 15477
188: ok 15478
188: ok 15479
188: ok 15480
188: ok 15481
188: ok 15482
188: ok 15483
188: ok 15484
188: ok 15485
188: ok 15486
188: ok 15487
188: ok 15488
188: ok 15489
188: ok 15490
188: ok 15491
188: ok 15492
188: ok 15493
188: ok 15494
188: ok 15495
188: ok 15496
188: ok 15497
188: ok 15498
188: ok 15499
188: ok 15500
188: ok 15501
188: ok 15502
188: ok 15503
188: ok 15504
188: ok 15505
188: ok 15506
188: ok 15507
188: ok 15508
188: ok 15509
188: ok 15510
188: ok 15511
188: ok 15512
188: ok 15513
188: ok 15514
188: ok 15515
188: ok 15516
188: ok 15517
188: ok 15518
188: ok 15519
188: ok 15520
188: ok 15521
188: ok 15522
188: ok 15523
188: ok 15524
188: ok 15525
188: ok 15526
188: ok 15527
188: ok 15528
188: ok 15529
188: ok 15530
188: ok 15531
188: ok 15532
188: ok 15533
188: ok 15534
188: ok 15535
188: ok 15536
188: ok 15537
188: ok 15538
188: ok 15539
188: ok 15540
188: ok 15541
188: ok 15542
188: ok 15543
188: ok 15544
188: ok 15545
188: ok 15546
188: ok 15547
188: ok 15548
188: ok 15549
188: ok 15550
188: ok 15551
188: ok 15552
188: ok 15553
188: ok 15554
188: ok 15555
188: ok 15556
188: ok 15557
188: ok 15558
188: ok 15559
188: ok 15560
188: ok 15561
188: ok 15562
188: ok 15563
188: ok 15564
188: ok 15565
188: ok 15566
188: ok 15567
188: ok 15568
188: ok 15569
188: ok 15570
188: ok 15571
188: ok 15572
188: ok 15573
188: ok 15574
188: ok 15575
188: ok 15576
188: ok 15577
188: ok 15578
188: ok 15579
188: ok 15580
188: ok 15581
188: ok 15582
188: ok 15583
188: ok 15584
188: ok 15585
188: ok 15586
188: ok 15587
188: ok 15588
188: ok 15589
188: ok 15590
188: ok 15591
188: ok 15592
188: ok 15593
188: ok 15594
188: ok 15595
188: ok 15596
188: ok 15597
188: ok 15598
188: ok 15599
188: ok 15600
188: ok 15601
188: ok 15602
188: ok 15603
188: ok 15604
188: ok 15605
188: ok 15606
188: ok 15607
188: ok 15608
188: ok 15609
188: ok 15610
188: ok 15611
188: ok 15612
188: ok 15613
188: ok 15614
188: ok 15615
188: ok 15616
188: ok 15617
188: ok 15618
188: ok 15619
188: ok 15620
188: ok 15621
188: ok 15622
188: ok 15623
188: ok 15624
188: ok 15625
188: ok 15626
188: ok 15627
188: ok 15628
188: ok 15629
188: ok 15630
188: ok 15631
188: ok 15632
188: ok 15633
188: ok 15634
188: ok 15635
188: ok 15636
188: ok 15637
188: ok 15638
188: ok 15639
188: ok 15640
188: ok 15641
188: ok 15642
188: ok 15643
188: ok 15644
188: ok 15645
188: ok 15646
188: ok 15647
188: ok 15648
188: ok 15649
188: ok 15650
188: ok 15651
188: ok 15652
188: ok 15653
188: ok 15654
188: ok 15655
188: ok 15656
188: ok 15657
188: ok 15658
188: ok 15659
188: ok 15660
188: ok 15661
188: ok 15662
188: ok 15663
188: ok 15664
188: ok 15665
188: ok 15666
188: ok 15667
188: ok 15668
188: ok 15669
188: ok 15670
188: ok 15671
188: ok 15672
188: ok 15673
188: ok 15674
188: ok 15675
188: ok 15676
188: ok 15677
188: ok 15678
188: ok 15679
188: ok 15680
188: ok 15681
188: ok 15682
188: ok 15683
188: ok 15684
188: ok 15685
188: ok 15686
188: ok 15687
188: ok 15688
188: ok 15689
188: ok 15690
188: ok 15691
188: ok 15692
188: ok 15693
188: ok 15694
188: ok 15695
188: ok 15696
188: ok 15697
188: ok 15698
188: ok 15699
188: ok 15700
188: ok 15701
188: ok 15702
188: ok 15703
188: ok 15704
188: ok 15705
188: ok 15706
188: ok 15707
188: ok 15708
188: ok 15709
188: ok 15710
188: ok 15711
188: ok 15712
188: ok 15713
188: ok 15714
188: ok 15715
188: ok 15716
188: ok 15717
188: ok 15718
188: ok 15719
188: ok 15720
188: ok 15721
188: ok 15722
188: ok 15723
188: ok 15724
188: ok 15725
188: ok 15726
188: ok 15727
188: ok 15728
188: ok 15729
188: ok 15730
188: ok 15731
188: ok 15732
188: ok 15733
188: ok 15734
188: ok 15735
188: ok 15736
188: ok 15737
188: ok 15738
188: ok 15739
188: ok 15740
188: ok 15741
188: ok 15742
188: ok 15743
188: ok 15744
188: ok 15745
188: ok 15746
188: ok 15747
188: ok 15748
188: ok 15749
188: ok 15750
188: ok 15751
188: ok 15752
188: ok 15753
188: ok 15754
188: ok 15755
188: ok 15756
188: ok 15757
188: ok 15758
188: ok 15759
188: ok 15760
188: ok 15761
188: ok 15762
188: ok 15763
188: ok 15764
188: ok 15765
188: ok 15766
188: ok 15767
188: ok 15768
188: ok 15769
188: ok 15770
188: ok 15771
188: ok 15772
188: ok 15773
188: ok 15774
188: ok 15775
188: ok 15776
188: ok 15777
188: ok 15778
188: ok 15779
188: ok 15780
188: ok 15781
188: ok 15782
188: ok 15783
188: ok 15784
188: ok 15785
188: ok 15786
188: ok 15787
188: ok 15788
188: ok 15789
188: ok 15790
188: ok 15791
188: ok 15792
188: ok 15793
188: ok 15794
188: ok 15795
188: ok 15796
188: ok 15797
188: ok 15798
188: ok 15799
188: ok 15800
188: ok 15801
188: ok 15802
188: ok 15803
188: ok 15804
188: ok 15805
188: ok 15806
188: ok 15807
188: ok 15808
188: ok 15809
188: ok 15810
188: ok 15811
188: ok 15812
188: ok 15813
188: ok 15814
188: ok 15815
188: ok 15816
188: ok 15817
188: ok 15818
188: ok 15819
188: ok 15820
188: ok 15821
188: ok 15822
188: ok 15823
188: ok 15824
188: ok 15825
188: ok 15826
188: ok 15827
188: ok 15828
188: ok 15829
188: ok 15830
188: ok 15831
188: ok 15832
188: ok 15833
188: ok 15834
188: ok 15835
188: ok 15836
188: ok 15837
188: ok 15838
188: ok 15839
188: ok 15840
188: ok 15841
188: ok 15842
188: ok 15843
188: ok 15844
188: ok 15845
188: ok 15846
188: ok 15847
188: ok 15848
188: ok 15849
188: ok 15850
188: ok 15851
188: ok 15852
188: ok 15853
188: ok 15854
188: ok 15855
188: ok 15856
188: ok 15857
188: ok 15858
188: ok 15859
188: ok 15860
188: ok 15861
188: ok 15862
188: ok 15863
188: ok 15864
188: ok 15865
188: ok 15866
188: ok 15867
188: ok 15868
188: ok 15869
188: ok 15870
188: ok 15871
188: ok 15872
188: ok 15873
188: ok 15874
188: ok 15875
188: ok 15876
188: ok 15877
188: ok 15878
188: ok 15879
188: ok 15880
188: ok 15881
188: ok 15882
188: ok 15883
188: ok 15884
188: ok 15885
188: ok 15886
188: ok 15887
188: ok 15888
188: ok 15889
188: ok 15890
188: ok 15891
188: ok 15892
188: ok 15893
188: ok 15894
188: ok 15895
188: ok 15896
188: ok 15897
188: ok 15898
188: ok 15899
188: ok 15900
188: ok 15901
188: ok 15902
188: ok 15903
188: ok 15904
188: ok 15905
188: ok 15906
188: ok 15907
188: ok 15908
188: ok 15909
188: ok 15910
188: ok 15911
188: ok 15912
188: ok 15913
188: ok 15914
188: ok 15915
188: ok 15916
188: ok 15917
188: ok 15918
188: ok 15919
188: ok 15920
188: ok 15921
188: ok 15922
188: ok 15923
188: ok 15924
188: ok 15925
188: ok 15926
188: ok 15927
188: ok 15928
188: ok 15929
188: ok 15930
188: ok 15931
188: ok 15932
188: ok 15933
188: ok 15934
188: ok 15935
188: ok 15936
188: ok 15937
188: ok 15938
188: ok 15939
188: ok 15940
188: ok 15941
188: ok 15942
188: ok 15943
188: ok 15944
188: ok 15945
188: ok 15946
188: ok 15947
188: ok 15948
188: ok 15949
188: ok 15950
188: ok 15951
188: ok 15952
188: ok 15953
188: ok 15954
188: ok 15955
188: ok 15956
188: ok 15957
188: ok 15958
188: ok 15959
188: ok 15960
188: ok 15961
188: ok 15962
188: ok 15963
188: ok 15964
188: ok 15965
188: ok 15966
188: ok 15967
188: ok 15968
188: ok 15969
188: ok 15970
188: ok 15971
188: ok 15972
188: ok 15973
188: ok 15974
188: ok 15975
188: ok 15976
188: ok 15977
188: ok 15978
188: ok 15979
188: ok 15980
188: ok 15981
188: ok 15982
188: ok 15983
188: ok 15984
188: ok 15985
188: ok 15986
188: ok 15987
188: ok 15988
188: ok 15989
188: ok 15990
188: ok 15991
188: ok 15992
188: ok 15993
188: ok 15994
188: ok 15995
188: ok 15996
188: ok 15997
188: ok 15998
188: ok 15999
188: ok 16000
188: ok 16001
188: ok 16002
188: ok 16003
188: ok 16004
188: ok 16005
188: ok 16006
188: ok 16007
188: ok 16008
188: ok 16009
188: ok 16010
188: ok 16011
188: ok 16012
188: ok 16013
188: ok 16014
188: ok 16015
188: ok 16016
188: ok 16017
188: ok 16018
188: ok 16019
188: ok 16020
188: ok 16021
188: ok 16022
188: ok 16023
188: ok 16024
188: ok 16025
188: ok 16026
188: ok 16027
188: ok 16028
188: ok 16029
188: ok 16030
188: ok 16031
188: ok 16032
188: ok 16033
188: ok 16034
188: ok 16035
188: ok 16036
188: ok 16037
188: ok 16038
188: ok 16039
188: ok 16040
188: ok 16041
188: ok 16042
188: ok 16043
188: ok 16044
188: ok 16045
188: ok 16046
188: ok 16047
188: ok 16048
188: ok 16049
188: ok 16050
188: ok 16051
188: ok 16052
188: ok 16053
188: ok 16054
188: ok 16055
188: ok 16056
188: ok 16057
188: ok 16058
188: ok 16059
188: ok 16060
188: ok 16061
188: ok 16062
188: ok 16063
188: ok 16064
188: ok 16065
188: ok 16066
188: ok 16067
188: ok 16068
188: ok 16069
188: ok 16070
188: ok 16071
188: ok 16072
188: ok 16073
188: ok 16074
188: ok 16075
188: ok 16076
188: ok 16077
188: ok 16078
188: ok 16079
188: ok 16080
188: ok 16081
188: ok 16082
188: ok 16083
188: ok 16084
188: ok 16085
188: ok 16086
188: ok 16087
188: ok 16088
188: ok 16089
188: ok 16090
188: ok 16091
188: ok 16092
188: ok 16093
188: ok 16094
188: ok 16095
188: ok 16096
188: ok 16097
188: ok 16098
188: ok 16099
188: ok 16100
188: ok 16101
188: ok 16102
188: ok 16103
188: ok 16104
188: ok 16105
188: ok 16106
188: ok 16107
188: ok 16108
188: ok 16109
188: ok 16110
188: ok 16111
188: ok 16112
188: ok 16113
188: ok 16114
188: ok 16115
188: ok 16116
188: ok 16117
188: ok 16118
188: ok 16119
188: ok 16120
188: ok 16121
188: ok 16122
188: ok 16123
188: ok 16124
188: ok 16125
188: ok 16126
188: ok 16127
188: ok 16128
188: ok 16129
188: ok 16130
188: ok 16131
188: ok 16132
188: ok 16133
188: ok 16134
188: ok 16135
188: ok 16136
188: ok 16137
188: ok 16138
188: ok 16139
188: ok 16140
188: ok 16141
188: ok 16142
188: ok 16143
188: ok 16144
188: ok 16145
188: ok 16146
188: ok 16147
188: ok 16148
188: ok 16149
188: ok 16150
188: ok 16151
188: ok 16152
188: ok 16153
188: ok 16154
188: ok 16155
188: ok 16156
188: ok 16157
188: ok 16158
188: ok 16159
188: ok 16160
188: ok 16161
188: ok 16162
188: ok 16163
188: ok 16164
188: ok 16165
188: ok 16166
188: ok 16167
188: ok 16168
188: ok 16169
188: ok 16170
188: ok 16171
188: ok 16172
188: ok 16173
188: ok 16174
188: ok 16175
188: ok 16176
188: ok 16177
188: ok 16178
188: ok 16179
188: ok 16180
188: ok 16181
188: ok 16182
188: ok 16183
188: ok 16184
188: ok 16185
188: ok 16186
188: ok 16187
188: ok 16188
188: ok 16189
188: ok 16190
188: ok 16191
188: ok 16192
188: ok 16193
188: ok 16194
188: ok 16195
188: ok 16196
188: ok 16197
188: ok 16198
188: ok 16199
188: ok 16200
188: ok 16201
188: ok 16202
188: ok 16203
188: ok 16204
188: ok 16205
188: ok 16206
188: ok 16207
188: ok 16208
188: ok 16209
188: ok 16210
188: ok 16211
188: ok 16212
188: ok 16213
188: ok 16214
188: ok 16215
188: ok 16216
188: ok 16217
188: ok 16218
188: ok 16219
188: ok 16220
188: ok 16221
188: ok 16222
188: ok 16223
188: ok 16224
188: ok 16225
188: ok 16226
188: ok 16227
188: ok 16228
188: ok 16229
188: ok 16230
188: ok 16231
188: ok 16232
188: ok 16233
188: ok 16234
188: ok 16235
188: ok 16236
188: ok 16237
188: ok 16238
188: ok 16239
188: ok 16240
188: ok 16241
188: ok 16242
188: ok 16243
188: ok 16244
188: ok 16245
188: ok 16246
188: ok 16247
188: ok 16248
188: ok 16249
188: ok 16250
188: ok 16251
188: ok 16252
188: ok 16253
188: ok 16254
188: ok 16255
188: ok 16256
188: ok 16257
188: ok 16258
188: ok 16259
188: ok 16260
188: ok 16261
188: ok 16262
188: ok 16263
188: ok 16264
188: ok 16265
188: ok 16266
188: ok 16267
188: ok 16268
188: ok 16269
188: ok 16270
188: ok 16271
188: ok 16272
188: ok 16273
188: ok 16274
188: ok 16275
188: ok 16276
188: ok 16277
188: ok 16278
188: ok 16279
188: ok 16280
188: ok 16281
188: ok 16282
188: ok 16283
188: ok 16284
188: ok 16285
188: ok 16286
188: ok 16287
188: ok 16288
188: ok 16289
188: ok 16290
188: ok 16291
188: ok 16292
188: ok 16293
188: ok 16294
188: ok 16295
188: ok 16296
188: ok 16297
188: ok 16298
188: ok 16299
188: ok 16300
188: ok 16301
188: ok 16302
188: ok 16303
188: ok 16304
188: ok 16305
188: ok 16306
188: ok 16307
188: ok 16308
188: ok 16309
188: ok 16310
188: ok 16311
188: ok 16312
188: ok 16313
188: ok 16314
188: ok 16315
188: ok 16316
188: ok 16317
188: ok 16318
188: ok 16319
188: ok 16320
188: ok 16321
188: ok 16322
188: ok 16323
188: ok 16324
188: ok 16325
188: ok 16326
188: ok 16327
188: ok 16328
188: ok 16329
188: ok 16330
188: ok 16331
188: ok 16332
188: ok 16333
188: ok 16334
188: ok 16335
188: ok 16336
188: ok 16337
188: ok 16338
188: ok 16339
188: ok 16340
188: ok 16341
188: ok 16342
188: ok 16343
188: ok 16344
188: ok 16345
188: ok 16346
188: ok 16347
188: ok 16348
188: ok 16349
188: ok 16350
188: ok 16351
188: ok 16352
188: ok 16353
188: ok 16354
188: ok 16355
188: ok 16356
188: ok 16357
188: ok 16358
188: ok 16359
188: ok 16360
188: ok 16361
188: ok 16362
188: ok 16363
188: ok 16364
188: ok 16365
188: ok 16366
188: ok 16367
188: ok 16368
188: ok 16369
188: ok 16370
188: ok 16371
188: ok 16372
188: ok 16373
188: ok 16374
188: ok 16375
188: ok 16376
188: ok 16377
188: ok 16378
188: ok 16379
188: ok 16380
188: ok 16381
188: ok 16382
188: ok 16383
188: ok 16384
188: ok 16385
188: ok 16386
188: ok 16387
188: ok 16388
188: ok 16389
188: ok 16390
188: ok 16391
188: ok 16392
188: ok 16393
188: ok 16394
188: ok 16395
188: ok 16396
188: ok 16397
188: ok 16398
188: ok 16399
188: ok 16400
188: ok 16401
188: ok 16402
188: ok 16403
188: ok 16404
188: ok 16405
188: ok 16406
188: ok 16407
188: ok 16408
188: ok 16409
188: ok 16410
188: ok 16411
188: ok 16412
188: ok 16413
188: ok 16414
188: ok 16415
188: ok 16416
188: ok 16417
188: ok 16418
188: ok 16419
188: ok 16420
188: ok 16421
188: ok 16422
188: ok 16423
188: ok 16424
188: ok 16425
188: ok 16426
188: ok 16427
188: ok 16428
188: ok 16429
188: ok 16430
188: ok 16431
188: ok 16432
188: ok 16433
188: ok 16434
188: ok 16435
188: ok 16436
188: ok 16437
188: ok 16438
188: ok 16439
188: ok 16440
188: ok 16441
188: ok 16442
188: ok 16443
188: ok 16444
188: ok 16445
188: ok 16446
188: ok 16447
188: ok 16448
188: ok 16449
188: ok 16450
188: ok 16451
188: ok 16452
188: ok 16453
188: ok 16454
188: ok 16455
188: ok 16456
188: ok 16457
188: ok 16458
188: ok 16459
188: ok 16460
188: ok 16461
188: ok 16462
188: ok 16463
188: ok 16464
188: ok 16465
188: ok 16466
188: ok 16467
188: ok 16468
188: ok 16469
188: ok 16470
188: ok 16471
188: ok 16472
188: ok 16473
188: ok 16474
188: ok 16475
188: ok 16476
188: ok 16477
188: ok 16478
188: ok 16479
188: ok 16480
188: ok 16481
188: ok 16482
188: ok 16483
188: ok 16484
188: ok 16485
188: ok 16486
188: ok 16487
188: ok 16488
188: ok 16489
188: ok 16490
188: ok 16491
188: ok 16492
188: ok 16493
188: ok 16494
188: ok 16495
188: ok 16496
188: ok 16497
188: ok 16498
188: ok 16499
188: ok 16500
188: ok 16501
188: ok 16502
188: ok 16503
188: ok 16504
188: ok 16505
188: ok 16506
188: ok 16507
188: ok 16508
188: ok 16509
188: ok 16510
188: ok 16511
188: ok 16512
188: ok 16513
188: ok 16514
188: ok 16515
188: ok 16516
188: ok 16517
188: ok 16518
188: ok 16519
188: ok 16520
188: ok 16521
188: ok 16522
188: ok 16523
188: ok 16524
188: ok 16525
188: ok 16526
188: ok 16527
188: ok 16528
188: ok 16529
188: ok 16530
188: ok 16531
188: ok 16532
188: ok 16533
188: ok 16534
188: ok 16535
188: ok 16536
188: ok 16537
188: ok 16538
188: ok 16539
188: ok 16540
188: ok 16541
188: ok 16542
188: ok 16543
188: ok 16544
188: ok 16545
188: ok 16546
188: ok 16547
188: ok 16548
188: ok 16549
188: ok 16550
188: ok 16551
188: ok 16552
188: ok 16553
188: ok 16554
188: ok 16555
188: ok 16556
188: ok 16557
188: ok 16558
188: ok 16559
188: ok 16560
188: ok 16561
188: ok 16562
188: ok 16563
188: ok 16564
188: ok 16565
188: ok 16566
188: ok 16567
188: ok 16568
188: ok 16569
188: ok 16570
188: ok 16571
188: ok 16572
188: ok 16573
188: ok 16574
188: ok 16575
188: ok 16576
188: ok 16577
188: ok 16578
188: ok 16579
188: ok 16580
188: ok 16581
188: ok 16582
188: ok 16583
188: ok 16584
188: ok 16585
188: ok 16586
188: ok 16587
188: ok 16588
188: ok 16589
188: ok 16590
188: ok 16591
188: ok 16592
188: ok 16593
188: ok 16594
188: ok 16595
188: ok 16596
188: ok 16597
188: ok 16598
188: ok 16599
188: ok 16600
188: ok 16601
188: ok 16602
188: ok 16603
188: ok 16604
188: ok 16605
188: ok 16606
188: ok 16607
188: ok 16608
188: ok 16609
188: ok 16610
188: ok 16611
188: ok 16612
188: ok 16613
188: ok 16614
188: ok 16615
188: ok 16616
188: ok 16617
188: ok 16618
188: ok 16619
188: ok 16620
188: ok 16621
188: ok 16622
188: ok 16623
188: ok 16624
188: ok 16625
188: ok 16626
188: ok 16627
188: ok 16628
188: ok 16629
188: ok 16630
188: ok 16631
188: ok 16632
188: ok 16633
188: ok 16634
188: ok 16635
188: ok 16636
188: ok 16637
188: ok 16638
188: ok 16639
188: ok 16640
188: ok 16641
188: ok 16642
188: ok 16643
188: ok 16644
188: ok 16645
188: ok 16646
188: ok 16647
188: ok 16648
188: ok 16649
188: ok 16650
188: ok 16651
188: ok 16652
188: ok 16653
188: ok 16654
188: ok 16655
188: ok 16656
188: ok 16657
188: ok 16658
188: ok 16659
188: ok 16660
188: ok 16661
188: ok 16662
188: ok 16663
188: ok 16664
188: ok 16665
188: ok 16666
188: ok 16667
188: ok 16668
188: ok 16669
188: ok 16670
188: ok 16671
188: ok 16672
188: ok 16673
188: ok 16674
188: ok 16675
188: ok 16676
188: ok 16677
188: ok 16678
188: ok 16679
188: ok 16680
188: ok 16681
188: ok 16682
188: ok 16683
188: ok 16684
188: ok 16685
188: ok 16686
188: ok 16687
188: ok 16688
188: ok 16689
188: ok 16690
188: ok 16691
188: ok 16692
188: ok 16693
188: ok 16694
188: ok 16695
188: ok 16696
188: ok 16697
188: ok 16698
188: ok 16699
188: ok 16700
188: ok 16701
188: ok 16702
188: ok 16703
188: ok 16704
188: ok 16705
188: ok 16706
188: ok 16707
188: ok 16708
188: ok 16709
188: ok 16710
188: ok 16711
188: ok 16712
188: ok 16713
188: ok 16714
188: ok 16715
188: ok 16716
188: ok 16717
188: ok 16718
188: ok 16719
188: ok 16720
188: ok 16721
188: ok 16722
188: ok 16723
188: ok 16724
188: ok 16725
188: ok 16726
188: ok 16727
188: ok 16728
188: ok 16729
188: ok 16730
188: ok 16731
188: ok 16732
188: ok 16733
188: ok 16734
188: ok 16735
188: ok 16736
188: ok 16737
188: ok 16738
188: ok 16739
188: ok 16740
188: ok 16741
188: ok 16742
188: ok 16743
188: ok 16744
188: ok 16745
188: ok 16746
188: ok 16747
188: ok 16748
188: ok 16749
188: ok 16750
188: ok 16751
188: ok 16752
188: ok 16753
188: ok 16754
188: ok 16755
188: ok 16756
188: ok 16757
188: ok 16758
188: ok 16759
188: ok 16760
188: ok 16761
188: ok 16762
188: ok 16763
188: ok 16764
188: ok 16765
188: ok 16766
188: ok 16767
188: ok 16768
188: ok 16769
188: ok 16770
188: ok 16771
188: ok 16772
188: ok 16773
188: ok 16774
188: ok 16775
188: ok 16776
188: ok 16777
188: ok 16778
188: ok 16779
188: ok 16780
188: ok 16781
188: ok 16782
188: ok 16783
188: ok 16784
188: ok 16785
188: ok 16786
188: ok 16787
188: ok 16788
188: ok 16789
188: ok 16790
188: ok 16791
188: ok 16792
188: ok 16793
188: ok 16794
188: ok 16795
188: ok 16796
188: ok 16797
188: ok 16798
188: ok 16799
188: ok 16800
188: ok 16801
188: ok 16802
188: ok 16803
188: ok 16804
188: ok 16805
188: ok 16806
188: ok 16807
188: ok 16808
188: ok 16809
188: ok 16810
188: ok 16811
188: ok 16812
188: ok 16813
188: ok 16814
188: ok 16815
188: ok 16816
188: ok 16817
188: ok 16818
188: ok 16819
188: ok 16820
188: ok 16821
188: ok 16822
188: ok 16823
188: ok 16824
188: ok 16825
188: ok 16826
188: ok 16827
188: ok 16828
188: ok 16829
188: ok 16830
188: ok 16831
188: ok 16832
188: ok 16833
188: ok 16834
188: ok 16835
188: ok 16836
188: ok 16837
188: ok 16838
188: ok 16839
188: ok 16840
188: ok 16841
188: ok 16842
188: ok 16843
188: ok 16844
188: ok 16845
188: ok 16846
188: ok 16847
188: ok 16848
188: ok 16849
188: ok 16850
188: ok 16851
188: ok 16852
188: ok 16853
188: ok 16854
188: ok 16855
188: ok 16856
188: ok 16857
188: ok 16858
188: ok 16859
188: ok 16860
188: ok 16861
188: ok 16862
188: ok 16863
188: ok 16864
188: ok 16865
188: ok 16866
188: ok 16867
188: ok 16868
188: ok 16869
188: ok 16870
188: ok 16871
188: ok 16872
188: ok 16873
188: ok 16874
188: ok 16875
188: ok 16876
188: ok 16877
188: ok 16878
188: ok 16879
188: ok 16880
188: ok 16881
188: ok 16882
188: ok 16883
188: ok 16884
188: ok 16885
188: ok 16886
188: ok 16887
188: ok 16888
188: ok 16889
188: ok 16890
188: ok 16891
188: ok 16892
188: ok 16893
188: ok 16894
188: ok 16895
188: ok 16896
188: ok 16897
188: ok 16898
188: ok 16899
188: ok 16900
188: ok 16901
188: ok 16902
188: ok 16903
188: ok 16904
188: ok 16905
188: ok 16906
188: ok 16907
188: ok 16908
188: ok 16909
188: ok 16910
188: ok 16911
188: ok 16912
188: ok 16913
188: ok 16914
188: ok 16915
188: ok 16916
188: ok 16917
188: ok 16918
188: ok 16919
188: ok 16920
188: ok 16921
188: ok 16922
188: ok 16923
188: ok 16924
188: ok 16925
188: ok 16926
188: ok 16927
188: ok 16928
188: ok 16929
188: ok 16930
188: ok 16931
188: ok 16932
188: ok 16933
188: ok 16934
188: ok 16935
188: ok 16936
188: ok 16937
188: ok 16938
188: ok 16939
188: ok 16940
188: ok 16941
188: ok 16942
188: ok 16943
188: ok 16944
188: ok 16945
188: ok 16946
188: ok 16947
188: ok 16948
188: ok 16949
188: ok 16950
188: ok 16951
188: ok 16952
188: ok 16953
188: ok 16954
188: ok 16955
188: ok 16956
188: ok 16957
188: ok 16958
188: ok 16959
188: ok 16960
188: ok 16961
188: ok 16962
188: ok 16963
188: ok 16964
188: ok 16965
188: ok 16966
188: ok 16967
188: ok 16968
188: ok 16969
188: ok 16970
188: ok 16971
188: ok 16972
188: ok 16973
188: ok 16974
188: ok 16975
188: ok 16976
188: ok 16977
188: ok 16978
188: ok 16979
188: ok 16980
188: ok 16981
188: ok 16982
188: ok 16983
188: ok 16984
188: ok 16985
188: ok 16986
188: ok 16987
188: ok 16988
188: ok 16989
188: ok 16990
188: ok 16991
188: ok 16992
188: ok 16993
188: ok 16994
188: ok 16995
188: ok 16996
188: ok 16997
188: ok 16998
188: ok 16999
188: ok 17000
188: ok 17001
188: ok 17002
188: ok 17003
188: ok 17004
188: ok 17005
188: ok 17006
188: ok 17007
188: ok 17008
188: ok 17009
188: ok 17010
188: ok 17011
188: ok 17012
188: ok 17013
188: ok 17014
188: ok 17015
188: ok 17016
188: ok 17017
188: ok 17018
188: ok 17019
188: ok 17020
188: ok 17021
188: ok 17022
188: ok 17023
188: ok 17024
188: ok 17025
188: ok 17026
188: ok 17027
188: ok 17028
188: ok 17029
188: ok 17030
188: ok 17031
188: ok 17032
188: ok 17033
188: ok 17034
188: ok 17035
188: ok 17036
188: ok 17037
188: ok 17038
188: ok 17039
188: ok 17040
188: ok 17041
188: ok 17042
188: ok 17043
188: ok 17044
188: ok 17045
188: ok 17046
188: ok 17047
188: ok 17048
188: ok 17049
188: ok 17050
188: ok 17051
188: ok 17052
188: ok 17053
188: ok 17054
188: ok 17055
188: ok 17056
188: ok 17057
188: ok 17058
188: ok 17059
188: ok 17060
188: ok 17061
188: ok 17062
188: ok 17063
188: ok 17064
188: ok 17065
188: ok 17066
188: ok 17067
188: ok 17068
188: ok 17069
188: ok 17070
188: ok 17071
188: ok 17072
188: ok 17073
188: ok 17074
188: ok 17075
188: ok 17076
188: ok 17077
188: ok 17078
188: ok 17079
188: ok 17080
188: ok 17081
188: ok 17082
188: ok 17083
188: ok 17084
188: ok 17085
188: ok 17086
188: ok 17087
188: ok 17088
188: ok 17089
188: ok 17090
188: ok 17091
188: ok 17092
188: ok 17093
188: ok 17094
188: ok 17095
188: ok 17096
188: ok 17097
188: ok 17098
188: ok 17099
188: ok 17100
188: ok 17101
188: ok 17102
188: ok 17103
188: ok 17104
188: ok 17105
188: ok 17106
188: ok 17107
188: ok 17108
188: ok 17109
188: ok 17110
188: ok 17111
188: ok 17112
188: ok 17113
188: ok 17114
188: ok 17115
188: ok 17116
188: ok 17117
188: ok 17118
188: ok 17119
188: ok 17120
188: ok 17121
188: ok 17122
188: ok 17123
188: ok 17124
188: ok 17125
188: ok 17126
188: ok 17127
188: ok 17128
188: ok 17129
188: ok 17130
188: ok 17131
188: ok 17132
188: ok 17133
188: ok 17134
188: ok 17135
188: ok 17136
188: ok 17137
188: ok 17138
188: ok 17139
188: ok 17140
188: ok 17141
188: ok 17142
188: ok 17143
188: ok 17144
188: ok 17145
188: ok 17146
188: ok 17147
188: ok 17148
188: ok 17149
188: ok 17150
188: ok 17151
188: ok 17152
188: ok 17153
188: ok 17154
188: ok 17155
188: ok 17156
188: ok 17157
188: ok 17158
188: ok 17159
188: ok 17160
188: ok 17161
188: ok 17162
188: ok 17163
188: ok 17164
188: ok 17165
188: ok 17166
188: ok 17167
188: ok 17168
188: ok 17169
188: ok 17170
188: ok 17171
188: ok 17172
188: ok 17173
188: ok 17174
188: ok 17175
188: ok 17176
188: ok 17177
188: ok 17178
188: ok 17179
188: ok 17180
188: ok 17181
188: ok 17182
188: ok 17183
188: ok 17184
188: ok 17185
188: ok 17186
188: ok 17187
188: ok 17188
188: ok 17189
188: ok 17190
188: ok 17191
188: ok 17192
188: ok 17193
188: ok 17194
188: ok 17195
188: ok 17196
188: ok 17197
188: ok 17198
188: ok 17199
188: ok 17200
188: ok 17201
188: ok 17202
188: ok 17203
188: ok 17204
188: ok 17205
188: ok 17206
188: ok 17207
188: ok 17208
188: ok 17209
188: ok 17210
188: ok 17211
188: ok 17212
188: ok 17213
188: ok 17214
188: ok 17215
188: ok 17216
188: ok 17217
188: ok 17218
188: ok 17219
188: ok 17220
188: ok 17221
188: ok 17222
188: ok 17223
188: ok 17224
188: ok 17225
188: ok 17226
188: ok 17227
188: ok 17228
188: ok 17229
188: ok 17230
188: ok 17231
188: ok 17232
188: ok 17233
188: ok 17234
188: ok 17235
188: ok 17236
188: ok 17237
188: ok 17238
188: ok 17239
188: ok 17240
188: ok 17241
188: ok 17242
188: ok 17243
188: ok 17244
188: ok 17245
188: ok 17246
188: ok 17247
188: ok 17248
188: ok 17249
188: ok 17250
188: ok 17251
188: ok 17252
188: ok 17253
188: ok 17254
188: ok 17255
188: ok 17256
188: ok 17257
188: ok 17258
188: ok 17259
188: ok 17260
188: ok 17261
188: ok 17262
188: ok 17263
188: ok 17264
188: ok 17265
188: ok 17266
188: ok 17267
188: ok 17268
188: ok 17269
188: ok 17270
188: ok 17271
188: ok 17272
188: ok 17273
188: ok 17274
188: ok 17275
188: ok 17276
188: ok 17277
188: ok 17278
188: ok 17279
188: ok 17280
188: ok 17281
188: ok 17282
188: ok 17283
188: ok 17284
188: ok 17285
188: ok 17286
188: ok 17287
188: ok 17288
188: ok 17289
188: ok 17290
188: ok 17291
188: ok 17292
188: ok 17293
188: ok 17294
188: ok 17295
188: ok 17296
188: ok 17297
188: ok 17298
188: ok 17299
188: ok 17300
188: ok 17301
188: ok 17302
188: ok 17303
188: ok 17304
188: ok 17305
188: ok 17306
188: ok 17307
188: ok 17308
188: ok 17309
188: ok 17310
188: ok 17311
188: ok 17312
188: ok 17313
188: ok 17314
188: ok 17315
188: ok 17316
188: ok 17317
188: ok 17318
188: ok 17319
188: ok 17320
188: ok 17321
188: ok 17322
188: ok 17323
188: ok 17324
188: ok 17325
188: ok 17326
188: ok 17327
188: ok 17328
188: ok 17329
188: ok 17330
188: ok 17331
188: ok 17332
188: ok 17333
188: ok 17334
188: ok 17335
188: ok 17336
188: ok 17337
188: ok 17338
188: ok 17339
188: ok 17340
188: ok 17341
188: ok 17342
188: ok 17343
188: ok 17344
188: ok 17345
188: ok 17346
188: ok 17347
188: ok 17348
188: ok 17349
188: ok 17350
188: ok 17351
188: ok 17352
188: ok 17353
188: ok 17354
188: ok 17355
188: ok 17356
188: ok 17357
188: ok 17358
188: ok 17359
188: ok 17360
188: ok 17361
188: ok 17362
188: ok 17363
188: ok 17364
188: ok 17365
188: ok 17366
188: ok 17367
188: ok 17368
188: ok 17369
188: ok 17370
188: ok 17371
188: ok 17372
188: ok 17373
188: ok 17374
188: ok 17375
188: ok 17376
188: ok 17377
188: ok 17378
188: ok 17379
188: ok 17380
188: ok 17381
188: ok 17382
188: ok 17383
188: ok 17384
188: ok 17385
188: ok 17386
188: ok 17387
188: ok 17388
188: ok 17389
188: ok 17390
188: ok 17391
188: ok 17392
188: ok 17393
188: ok 17394
188: ok 17395
188: ok 17396
188: ok 17397
188: ok 17398
188: ok 17399
188: ok 17400
188: ok 17401
188: ok 17402
188: ok 17403
188: ok 17404
188: ok 17405
188: ok 17406
188: ok 17407
188: ok 17408
188: ok 17409
188: ok 17410
188: ok 17411
188: ok 17412
188: ok 17413
188: ok 17414
188: ok 17415
188: ok 17416
188: ok 17417
188: ok 17418
188: ok 17419
188: ok 17420
188: ok 17421
188: ok 17422
188: ok 17423
188: ok 17424
188: ok 17425
188: ok 17426
188: ok 17427
188: ok 17428
188: ok 17429
188: ok 17430
188: ok 17431
188: ok 17432
188: ok 17433
188: ok 17434
188: ok 17435
188: ok 17436
188: ok 17437
188: ok 17438
188: ok 17439
188: ok 17440
188: ok 17441
188: ok 17442
188: ok 17443
188: ok 17444
188: ok 17445
188: ok 17446
188: ok 17447
188: ok 17448
188: ok 17449
188: ok 17450
188: ok 17451
188: ok 17452
188: ok 17453
188: ok 17454
188: ok 17455
188: ok 17456
188: ok 17457
188: ok 17458
188: ok 17459
188: ok 17460
188: ok 17461
188: ok 17462
188: ok 17463
188: ok 17464
188: ok 17465
188: ok 17466
188: ok 17467
188: ok 17468
188: ok 17469
188: ok 17470
188: ok 17471
188: ok 17472
188: ok 17473
188: ok 17474
188: ok 17475
188: ok 17476
188: ok 17477
188: ok 17478
188: ok 17479
188: ok 17480
188: ok 17481
188: ok 17482
188: ok 17483
188: ok 17484
188: ok 17485
188: ok 17486
188: ok 17487
188: ok 17488
188: ok 17489
188: ok 17490
188: ok 17491
188: ok 17492
188: ok 17493
188: ok 17494
188: ok 17495
188: ok 17496
188: ok 17497
188: ok 17498
188: ok 17499
188: ok 17500
188: ok 17501
188: ok 17502
188: ok 17503
188: ok 17504
188: ok 17505
188: ok 17506
188: ok 17507
188: ok 17508
188: ok 17509
188: ok 17510
188: ok 17511
188: ok 17512
188: ok 17513
188: ok 17514
188: ok 17515
188: ok 17516
188: ok 17517
188: ok 17518
188: ok 17519
188: ok 17520
188: ok 17521
188: ok 17522
188: ok 17523
188: ok 17524
188: ok 17525
188: ok 17526
188: ok 17527
188: ok 17528
188: ok 17529
188: ok 17530
188: ok 17531
188: ok 17532
188: ok 17533
188: ok 17534
188: ok 17535
188: ok 17536
188: ok 17537
188: ok 17538
188: ok 17539
188: ok 17540
188: ok 17541
188: ok 17542
188: ok 17543
188: ok 17544
188: ok 17545
188: ok 17546
188: ok 17547
188: ok 17548
188: ok 17549
188: ok 17550
188: ok 17551
188: ok 17552
188: ok 17553
188: ok 17554
188: ok 17555
188: ok 17556
188: ok 17557
188: ok 17558
188: ok 17559
188: ok 17560
188: ok 17561
188: ok 17562
188: ok 17563
188: ok 17564
188: ok 17565
188: ok 17566
188: ok 17567
188: ok 17568
188: ok 17569
188: ok 17570
188: ok 17571
188: ok 17572
188: ok 17573
188: ok 17574
188: ok 17575
188: ok 17576
188: ok 17577
188: ok 17578
188: ok 17579
188: ok 17580
188: ok 17581
188: ok 17582
188: ok 17583
188: ok 17584
188: ok 17585
188: ok 17586
188: ok 17587
188: ok 17588
188: ok 17589
188: ok 17590
188: ok 17591
188: ok 17592
188: ok 17593
188: ok 17594
188: ok 17595
188: ok 17596
188: ok 17597
188: ok 17598
188: ok 17599
188: ok 17600
188: ok 17601
188: ok 17602
188: ok 17603
188: ok 17604
188: ok 17605
188: ok 17606
188: ok 17607
188: ok 17608
188: ok 17609
188: ok 17610
188: ok 17611
188: ok 17612
188: ok 17613
188: ok 17614
188: ok 17615
188: ok 17616
188: ok 17617
188: ok 17618
188: ok 17619
188: ok 17620
188: ok 17621
188: ok 17622
188: ok 17623
188: ok 17624
188: ok 17625
188: ok 17626
188: ok 17627
188: ok 17628
188: ok 17629
188: ok 17630
188: ok 17631
188: ok 17632
188: ok 17633
188: ok 17634
188: ok 17635
188: ok 17636
188: ok 17637
188: ok 17638
188: ok 17639
188: ok 17640
188: ok 17641
188: ok 17642
188: ok 17643
188: ok 17644
188: ok 17645
188: ok 17646
188: ok 17647
188: ok 17648
188: ok 17649
188: ok 17650
188: ok 17651
188: ok 17652
188: ok 17653
188: ok 17654
188: ok 17655
188: ok 17656
188: ok 17657
188: ok 17658
188: ok 17659
188: ok 17660
188: ok 17661
188: ok 17662
188: ok 17663
188: ok 17664
188: ok 17665
188: ok 17666
188: ok 17667
188: ok 17668
188: ok 17669
188: ok 17670
188: ok 17671
188: ok 17672
188: ok 17673
188: ok 17674
188: ok 17675
188: ok 17676
188: ok 17677
188: ok 17678
188: ok 17679
188: ok 17680
188: ok 17681
188: ok 17682
188: ok 17683
188: ok 17684
188: ok 17685
188: ok 17686
188: ok 17687
188: ok 17688
188: ok 17689
188: ok 17690
188: ok 17691
188: ok 17692
188: ok 17693
188: ok 17694
188: ok 17695
188: ok 17696
188: ok 17697
188: ok 17698
188: ok 17699
188: ok 17700
188: ok 17701
188: ok 17702
188: ok 17703
188: ok 17704
188: ok 17705
188: ok 17706
188: ok 17707
188: ok 17708
188: ok 17709
188: ok 17710
188: ok 17711
188: ok 17712
188: ok 17713
188: ok 17714
188: ok 17715
188: ok 17716
188: ok 17717
188: ok 17718
188: ok 17719
188: ok 17720
188: ok 17721
188: ok 17722
188: ok 17723
188: ok 17724
188: ok 17725
188: ok 17726
188: ok 17727
188: ok 17728
188: ok 17729
188: ok 17730
188: ok 17731
188: ok 17732
188: ok 17733
188: ok 17734
188: ok 17735
188: ok 17736
188: ok 17737
188: ok 17738
188: ok 17739
188: ok 17740
188: ok 17741
188: ok 17742
188: ok 17743
188: ok 17744
188: ok 17745
188: ok 17746
188: ok 17747
188: ok 17748
188: ok 17749
188: ok 17750
188: ok 17751
188: ok 17752
188: ok 17753
188: ok 17754
188: ok 17755
188: ok 17756
188: ok 17757
188: ok 17758
188: ok 17759
188: ok 17760
188: ok 17761
188: ok 17762
188: ok 17763
188: ok 17764
188: ok 17765
188: ok 17766
188: ok 17767
188: ok 17768
188: ok 17769
188: ok 17770
188: ok 17771
188: ok 17772
188: ok 17773
188: ok 17774
188: ok 17775
188: ok 17776
188: ok 17777
188: ok 17778
188: ok 17779
188: ok 17780
188: ok 17781
188: ok 17782
188: ok 17783
188: ok 17784
188: ok 17785
188: ok 17786
188: ok 17787
188: ok 17788
188: ok 17789
188: ok 17790
188: ok 17791
188: ok 17792
188: ok 17793
188: ok 17794
188: ok 17795
188: ok 17796
188: ok 17797
188: ok 17798
188: ok 17799
188: ok 17800
188: ok 17801
188: ok 17802
188: ok 17803
188: ok 17804
188: ok 17805
188: ok 17806
188: ok 17807
188: ok 17808
188: ok 17809
188: ok 17810
188: ok 17811
188: ok 17812
188: ok 17813
188: ok 17814
188: ok 17815
188: ok 17816
188: ok 17817
188: ok 17818
188: ok 17819
188: ok 17820
188: ok 17821
188: ok 17822
188: ok 17823
188: ok 17824
188: ok 17825
188: ok 17826
188: ok 17827
188: ok 17828
188: ok 17829
188: ok 17830
188: ok 17831
188: ok 17832
188: ok 17833
188: ok 17834
188: ok 17835
188: ok 17836
188: ok 17837
188: ok 17838
188: ok 17839
188: ok 17840
188: ok 17841
188: ok 17842
188: ok 17843
188: ok 17844
188: ok 17845
188: ok 17846
188: ok 17847
188: ok 17848
188: ok 17849
188: ok 17850
188: ok 17851
188: ok 17852
188: ok 17853
188: ok 17854
188: ok 17855
188: ok 17856
188: ok 17857
188: ok 17858
188: ok 17859
188: ok 17860
188: ok 17861
188: ok 17862
188: ok 17863
188: ok 17864
188: ok 17865
188: ok 17866
188: ok 17867
188: ok 17868
188: ok 17869
188: ok 17870
188: ok 17871
188: ok 17872
188: ok 17873
188: ok 17874
188: ok 17875
188: ok 17876
188: ok 17877
188: ok 17878
188: ok 17879
188: ok 17880
188: ok 17881
188: ok 17882
188: ok 17883
188: ok 17884
188: ok 17885
188: ok 17886
188: ok 17887
188: ok 17888
188: ok 17889
188: ok 17890
188: ok 17891
188: ok 17892
188: ok 17893
188: ok 17894
188: ok 17895
188: ok 17896
188: ok 17897
188: ok 17898
188: ok 17899
188: ok 17900
188: ok 17901
188: ok 17902
188: ok 17903
188: ok 17904
188: ok 17905
188: ok 17906
188: ok 17907
188: ok 17908
188: ok 17909
188: ok 17910
188: ok 17911
188: ok 17912
188: ok 17913
188: ok 17914
188: ok 17915
188: ok 17916
188: ok 17917
188: ok 17918
188: ok 17919
188: ok 17920
188: ok 17921
188: ok 17922
188: ok 17923
188: ok 17924
188: ok 17925
188: ok 17926
188: ok 17927
188: ok 17928
188: ok 17929
188: ok 17930
188: ok 17931
188: ok 17932
188: ok 17933
188: ok 17934
188: ok 17935
188: ok 17936
188: ok 17937
188: ok 17938
188: ok 17939
188: ok 17940
188: ok 17941
188: ok 17942
188: ok 17943
188: ok 17944
188: ok 17945
188: ok 17946
188: ok 17947
188: ok 17948
188: ok 17949
188: ok 17950
188: ok 17951
188: ok 17952
188: ok 17953
188: ok 17954
188: ok 17955
188: ok 17956
188: ok 17957
188: ok 17958
188: ok 17959
188: ok 17960
188: ok 17961
188: ok 17962
188: ok 17963
188: ok 17964
188: ok 17965
188: ok 17966
188: ok 17967
188: ok 17968
188: ok 17969
188: ok 17970
188: ok 17971
188: ok 17972
188: ok 17973
188: ok 17974
188: ok 17975
188: ok 17976
188: ok 17977
188: ok 17978
188: ok 17979
188: ok 17980
188: ok 17981
188: ok 17982
188: ok 17983
188: ok 17984
188: ok 17985
188: ok 17986
188: ok 17987
188: ok 17988
188: ok 17989
188: ok 17990
188: ok 17991
188: ok 17992
188: ok 17993
188: ok 17994
188: ok 17995
188: ok 17996
188: ok 17997
188: ok 17998
188: ok 17999
188: ok 18000
188: ok 18001
188: ok 18002
188: ok 18003
188: ok 18004
188: ok 18005
188: ok 18006
188: ok 18007
188: ok 18008
188: ok 18009
188: ok 18010
188: ok 18011
188: ok 18012
188: ok 18013
188: ok 18014
188: ok 18015
188: ok 18016
188: ok 18017
188: ok 18018
188: ok 18019
188: ok 18020
188: ok 18021
188: ok 18022
188: ok 18023
188: ok 18024
188: ok 18025
188: ok 18026
188: ok 18027
188: ok 18028
188: ok 18029
188: ok 18030
188: ok 18031
188: ok 18032
188: ok 18033
188: ok 18034
188: ok 18035
188: ok 18036
188: ok 18037
188: ok 18038
188: ok 18039
188: ok 18040
188: ok 18041
188: ok 18042
188: ok 18043
188: ok 18044
188: ok 18045
188: ok 18046
188: ok 18047
188: ok 18048
188: ok 18049
188: ok 18050
188: ok 18051
188: ok 18052
188: ok 18053
188: ok 18054
188: ok 18055
188: ok 18056
188: ok 18057
188: ok 18058
188: ok 18059
188: ok 18060
188: ok 18061
188: ok 18062
188: ok 18063
188: ok 18064
188: ok 18065
188: ok 18066
188: ok 18067
188: ok 18068
188: ok 18069
188: ok 18070
188: ok 18071
188: ok 18072
188: ok 18073
188: ok 18074
188: ok 18075
188: ok 18076
188: ok 18077
188: ok 18078
188: ok 18079
188: ok 18080
188: ok 18081
188: ok 18082
188: ok 18083
188: ok 18084
188: ok 18085
188: ok 18086
188: ok 18087
188: ok 18088
188: ok 18089
188: ok 18090
188: ok 18091
188: ok 18092
188: ok 18093
188: ok 18094
188: ok 18095
188: ok 18096
188: ok 18097
188: ok 18098
188: ok 18099
188: ok 18100
188: ok 18101
188: ok 18102
188: ok 18103
188: ok 18104
188: ok 18105
188: ok 18106
188: ok 18107
188: ok 18108
188: ok 18109
188: ok 18110
188: ok 18111
188: ok 18112
188: ok 18113
188: ok 18114
188: ok 18115
188: ok 18116
188: ok 18117
188: ok 18118
188: ok 18119
188: ok 18120
188: ok 18121
188: ok 18122
188: ok 18123
188: ok 18124
188: ok 18125
188: ok 18126
188: ok 18127
188: ok 18128
188: ok 18129
188: ok 18130
188: ok 18131
188: ok 18132
188: ok 18133
188: ok 18134
188: ok 18135
188: ok 18136
188: ok 18137
188: ok 18138
188: ok 18139
188: ok 18140
188: ok 18141
188: ok 18142
188: ok 18143
188: ok 18144
188: ok 18145
188: ok 18146
188: ok 18147
188: ok 18148
188: ok 18149
188: ok 18150
188: ok 18151
188: ok 18152
188: ok 18153
188: ok 18154
188: ok 18155
188: ok 18156
188: ok 18157
188: ok 18158
188: ok 18159
188: ok 18160
188: ok 18161
188: ok 18162
188: ok 18163
188: ok 18164
188: ok 18165
188: ok 18166
188: ok 18167
188: ok 18168
188: ok 18169
188: ok 18170
188: ok 18171
188: ok 18172
188: ok 18173
188: ok 18174
188: ok 18175
188: ok 18176
188: ok 18177
188: ok 18178
188: ok 18179
188: ok 18180
188: ok 18181
188: ok 18182
188: ok 18183
188: ok 18184
188: ok 18185
188: ok 18186
188: ok 18187
188: ok 18188
188: ok 18189
188: ok 18190
188: ok 18191
188: ok 18192
188: ok 18193
188: ok 18194
188: ok 18195
188: ok 18196
188: ok 18197
188: ok 18198
188: ok 18199
188: ok 18200
188: ok 18201
188: ok 18202
188: ok 18203
188: ok 18204
188: ok 18205
188: ok 18206
188: ok 18207
188: ok 18208
188: ok 18209
188: ok 18210
188: ok 18211
188: ok 18212
188: ok 18213
188: ok 18214
188: ok 18215
188: ok 18216
188: ok 18217
188: ok 18218
188: ok 18219
188: ok 18220
188: ok 18221
188: ok 18222
188: ok 18223
188: ok 18224
188: ok 18225
188: ok 18226
188: ok 18227
188: ok 18228
188: ok 18229
188: ok 18230
188: ok 18231
188: ok 18232
188: ok 18233
188: ok 18234
188: ok 18235
188: ok 18236
188: ok 18237
188: ok 18238
188: ok 18239
188: ok 18240
188: ok 18241
188: ok 18242
188: ok 18243
188: ok 18244
188: ok 18245
188: ok 18246
188: ok 18247
188: ok 18248
188: ok 18249
188: ok 18250
188: ok 18251
188: ok 18252
188: ok 18253
188: ok 18254
188: ok 18255
188: ok 18256
188: ok 18257
188: ok 18258
188: ok 18259
188: ok 18260
188: ok 18261
188: ok 18262
188: ok 18263
188: ok 18264
188: ok 18265
188: ok 18266
188: ok 18267
188: ok 18268
188: ok 18269
188: ok 18270
188: ok 18271
188: ok 18272
188: ok 18273
188: ok 18274
188: ok 18275
188: ok 18276
188: ok 18277
188: ok 18278
188: ok 18279
188: ok 18280
188: ok 18281
188: ok 18282
188: ok 18283
188: ok 18284
188: ok 18285
188: ok 18286
188: ok 18287
188: ok 18288
188: ok 18289
188: ok 18290
188: ok 18291
188: ok 18292
188: ok 18293
188: ok 18294
188: ok 18295
188: ok 18296
188: ok 18297
188: ok 18298
188: ok 18299
188: ok 18300
188: ok 18301
188: ok 18302
188: ok 18303
188: ok 18304
188: ok 18305
188: ok 18306
188: ok 18307
188: ok 18308
188: ok 18309
188: ok 18310
188: ok 18311
188: ok 18312
188: ok 18313
188: ok 18314
188: ok 18315
188: ok 18316
188: ok 18317
188: ok 18318
188: ok 18319
188: ok 18320
188: ok 18321
188: ok 18322
188: ok 18323
188: ok 18324
188: ok 18325
188: ok 18326
188: ok 18327
188: ok 18328
188: ok 18329
188: ok 18330
188: ok 18331
188: ok 18332
188: ok 18333
188: ok 18334
188: ok 18335
188: ok 18336
188: ok 18337
188: ok 18338
188: ok 18339
188: ok 18340
188: ok 18341
188: ok 18342
188: ok 18343
188: ok 18344
188: ok 18345
188: ok 18346
188: ok 18347
188: ok 18348
188: ok 18349
188: ok 18350
188: ok 18351
188: ok 18352
188: ok 18353
188: ok 18354
188: ok 18355
188: ok 18356
188: ok 18357
188: ok 18358
188: ok 18359
188: ok 18360
188: ok 18361
188: ok 18362
188: ok 18363
188: ok 18364
188: ok 18365
188: ok 18366
188: ok 18367
188: ok 18368
188: ok 18369
188: ok 18370
188: ok 18371
188: ok 18372
188: ok 18373
188: ok 18374
188: ok 18375
188: ok 18376
188: ok 18377
188: ok 18378
188: ok 18379
188: ok 18380
188: ok 18381
188: ok 18382
188: ok 18383
188: ok 18384
188: ok 18385
188: ok 18386
188: ok 18387
188: ok 18388
188: ok 18389
188: ok 18390
188: ok 18391
188: ok 18392
188: ok 18393
188: ok 18394
188: ok 18395
188: ok 18396
188: ok 18397
188: ok 18398
188: ok 18399
188: ok 18400
188: ok 18401
188: ok 18402
188: ok 18403
188: ok 18404
188: ok 18405
188: ok 18406
188: ok 18407
188: ok 18408
188: ok 18409
188: ok 18410
188: ok 18411
188: ok 18412
188: ok 18413
188: ok 18414
188: ok 18415
188: ok 18416
188: ok 18417
188: ok 18418
188: ok 18419
188: ok 18420
188: ok 18421
188: ok 18422
188: ok 18423
188: ok 18424
188: ok 18425
188: ok 18426
188: ok 18427
188: ok 18428
188: ok 18429
188: ok 18430
188: ok 18431
188: ok 18432
188: ok 18433
188: ok 18434
188: ok 18435
188: ok 18436
188: ok 18437
188: ok 18438
188: ok 18439
188: ok 18440
188: ok 18441
188: ok 18442
188: ok 18443
188: ok 18444
188: ok 18445
188: ok 18446
188: ok 18447
188: ok 18448
188: ok 18449
188: ok 18450
188: ok 18451
188: ok 18452
188: ok 18453
188: ok 18454
188: ok 18455
188: ok 18456
188: ok 18457
188: ok 18458
188: ok 18459
188: ok 18460
188: ok 18461
188: ok 18462
188: ok 18463
188: ok 18464
188: ok 18465
188: ok 18466
188: ok 18467
188: ok 18468
188: ok 18469
188: ok 18470
188: ok 18471
188: ok 18472
188: ok 18473
188: ok 18474
188: ok 18475
188: ok 18476
188: ok 18477
188: ok 18478
188: ok 18479
188: ok 18480
188: ok 18481
188: ok 18482
188: ok 18483
188: ok 18484
188: ok 18485
188: ok 18486
188: ok 18487
188: ok 18488
188: ok 18489
188: ok 18490
188: ok 18491
188: ok 18492
188: ok 18493
188: ok 18494
188: ok 18495
188: ok 18496
188: ok 18497
188: ok 18498
188: ok 18499
188: ok 18500
188: ok 18501
188: ok 18502
188: ok 18503
188: ok 18504
188: ok 18505
188: ok 18506
188: ok 18507
188: ok 18508
188: ok 18509
188: ok 18510
188: ok 18511
188: ok 18512
188: ok 18513
188: ok 18514
188: ok 18515
188: ok 18516
188: ok 18517
188: ok 18518
188: ok 18519
188: ok 18520
188: ok 18521
188: ok 18522
188: ok 18523
188: ok 18524
188: ok 18525
188: ok 18526
188: ok 18527
188: ok 18528
188: ok 18529
188: ok 18530
188: ok 18531
188: ok 18532
188: ok 18533
188: ok 18534
188: ok 18535
188: ok 18536
188: ok 18537
188: ok 18538
188: ok 18539
188: ok 18540
188: ok 18541
188: ok 18542
188: ok 18543
188: ok 18544
188: ok 18545
188: ok 18546
188: ok 18547
188: ok 18548
188: ok 18549
188: ok 18550
188: ok 18551
188: ok 18552
188: ok 18553
188: ok 18554
188: ok 18555
188: ok 18556
188: ok 18557
188: ok 18558
188: ok 18559
188: ok 18560
188: ok 18561
188: ok 18562
188: ok 18563
188: ok 18564
188: ok 18565
188: ok 18566
188: ok 18567
188: ok 18568
188: ok 18569
188: ok 18570
188: ok 18571
188: ok 18572
188: ok 18573
188: ok 18574
188: ok 18575
188: ok 18576
188: ok 18577
188: ok 18578
188: ok 18579
188: ok 18580
188: ok 18581
188: ok 18582
188: ok 18583
188: ok 18584
188: ok 18585
188: ok 18586
188: ok 18587
188: ok 18588
188: ok 18589
188: ok 18590
188: ok 18591
188: ok 18592
188: ok 18593
188: ok 18594
188: ok 18595
188: ok 18596
188: ok 18597
188: ok 18598
188: ok 18599
188: ok 18600
188: ok 18601
188: ok 18602
188: ok 18603
188: ok 18604
188: ok 18605
188: ok 18606
188: ok 18607
188: ok 18608
188: ok 18609
188: ok 18610
188: ok 18611
188: ok 18612
188: ok 18613
188: ok 18614
188: ok 18615
188: ok 18616
188: ok 18617
188: ok 18618
188: ok 18619
188: ok 18620
188: ok 18621
188: ok 18622
188: ok 18623
188: ok 18624
188: ok 18625
188: ok 18626
188: ok 18627
188: ok 18628
188: ok 18629
188: ok 18630
188: ok 18631
188: ok 18632
188: ok 18633
188: ok 18634
188: ok 18635
188: ok 18636
188: ok 18637
188: ok 18638
188: ok 18639
188: ok 18640
188: ok 18641
188: ok 18642
188: ok 18643
188: ok 18644
188: ok 18645
188: ok 18646
188: ok 18647
188: ok 18648
188: ok 18649
188: ok 18650
188: ok 18651
188: ok 18652
188: ok 18653
188: ok 18654
188: ok 18655
188: ok 18656
188: ok 18657
188: ok 18658
188: ok 18659
188: ok 18660
188: ok 18661
188: ok 18662
188: ok 18663
188: ok 18664
188: ok 18665
188: ok 18666
188: ok 18667
188: ok 18668
188: ok 18669
188: ok 18670
188: ok 18671
188: ok 18672
188: ok 18673
188: ok 18674
188: ok 18675
188: ok 18676
188: ok 18677
188: ok 18678
188: ok 18679
188: ok 18680
188: ok 18681
188: ok 18682
188: ok 18683
188: ok 18684
188: ok 18685
188: ok 18686
188: ok 18687
188: ok 18688
188: ok 18689
188: ok 18690
188: ok 18691
188: ok 18692
188: ok 18693
188: ok 18694
188: ok 18695
188: ok 18696
188: ok 18697
188: ok 18698
188: ok 18699
188: ok 18700
188: ok 18701
188: ok 18702
188: ok 18703
188: ok 18704
188: ok 18705
188: ok 18706
188: ok 18707
188: ok 18708
188: ok 18709
188: ok 18710
188: ok 18711
188: ok 18712
188: ok 18713
188: ok 18714
188: ok 18715
188: ok 18716
188: ok 18717
188: ok 18718
188: ok 18719
188: ok 18720
188: ok 18721
188: ok 18722
188: ok 18723
188: ok 18724
188: ok 18725
188: ok 18726
188: ok 18727
188: ok 18728
188: ok 18729
188: ok 18730
188: ok 18731
188: ok 18732
188: ok 18733
188: ok 18734
188: ok 18735
188: ok 18736
188: ok 18737
188: ok 18738
188: ok 18739
188: ok 18740
188: ok 18741
188: ok 18742
188: ok 18743
188: ok 18744
188: ok 18745
188: ok 18746
188: ok 18747
188: ok 18748
188: ok 18749
188: ok 18750
188: ok 18751
188: ok 18752
188: ok 18753
188: ok 18754
188: ok 18755
188: ok 18756
188: ok 18757
188: ok 18758
188: ok 18759
188: ok 18760
188: ok 18761
188: ok 18762
188: ok 18763
188: ok 18764
188: ok 18765
188: ok 18766
188: ok 18767
188: ok 18768
188: ok 18769
188: ok 18770
188: ok 18771
188: ok 18772
188: ok 18773
188: ok 18774
188: ok 18775
188: ok 18776
188: ok 18777
188: ok 18778
188: ok 18779
188: ok 18780
188: ok 18781
188: ok 18782
188: ok 18783
188: ok 18784
188: ok 18785
188: ok 18786
188: ok 18787
188: ok 18788
188: ok 18789
188: ok 18790
188: ok 18791
188: ok 18792
188: ok 18793
188: ok 18794
188: ok 18795
188: ok 18796
188: ok 18797
188: ok 18798
188: ok 18799
188: ok 18800
188: ok 18801
188: ok 18802
188: ok 18803
188: ok 18804
188: ok 18805
188: ok 18806
188: ok 18807
188: ok 18808
188: ok 18809
188: ok 18810
188: ok 18811
188: ok 18812
188: ok 18813
188: ok 18814
188: ok 18815
188: ok 18816
188: ok 18817
188: ok 18818
188: ok 18819
188: ok 18820
188: ok 18821
188: ok 18822
188: ok 18823
188: ok 18824
188: ok 18825
188: ok 18826
188: ok 18827
188: ok 18828
188: ok 18829
188: ok 18830
188: ok 18831
188: ok 18832
188: ok 18833
188: ok 18834
188: ok 18835
188: ok 18836
188: ok 18837
188: ok 18838
188: ok 18839
188: ok 18840
188: ok 18841
188: ok 18842
188: ok 18843
188: ok 18844
188: ok 18845
188: ok 18846
188: ok 18847
188: ok 18848
188: ok 18849
188: ok 18850
188: ok 18851
188: ok 18852
188: ok 18853
188: ok 18854
188: ok 18855
188: ok 18856
188: ok 18857
188: ok 18858
188: ok 18859
188: ok 18860
188: ok 18861
188: ok 18862
188: ok 18863
188: ok 18864
188: ok 18865
188: ok 18866
188: ok 18867
188: ok 18868
188: ok 18869
188: ok 18870
188: ok 18871
188: ok 18872
188: ok 18873
188: ok 18874
188: ok 18875
188: ok 18876
188: ok 18877
188: ok 18878
188: ok 18879
188: ok 18880
188: ok 18881
188: ok 18882
188: ok 18883
188: ok 18884
188: ok 18885
188: ok 18886
188: ok 18887
188: ok 18888
188: ok 18889
188: ok 18890
188: ok 18891
188: ok 18892
188: ok 18893
188: ok 18894
188: ok 18895
188: ok 18896
188: ok 18897
188: ok 18898
188: ok 18899
188: ok 18900
188: ok 18901
188: ok 18902
188: ok 18903
188: ok 18904
188: ok 18905
188: ok 18906
188: ok 18907
188: ok 18908
188: ok 18909
188: ok 18910
188: ok 18911
188: ok 18912
188: ok 18913
188: ok 18914
188: ok 18915
188: ok 18916
188: ok 18917
188: ok 18918
188: ok 18919
188: ok 18920
188: ok 18921
188: ok 18922
188: ok 18923
188: ok 18924
188: ok 18925
188: ok 18926
188: ok 18927
188: ok 18928
188: ok 18929
188: ok 18930
188: ok 18931
188: ok 18932
188: ok 18933
188: ok 18934
188: ok 18935
188: ok 18936
188: ok 18937
188: ok 18938
188: ok 18939
188: ok 18940
188: ok 18941
188: ok 18942
188: ok 18943
188: ok 18944
188: ok 18945
188: ok 18946
188: ok 18947
188: ok 18948
188: ok 18949
188: ok 18950
188: ok 18951
188: ok 18952
188: ok 18953
188: ok 18954
188: ok 18955
188: ok 18956
188: ok 18957
188: ok 18958
188: ok 18959
188: ok 18960
188: ok 18961
188: ok 18962
188: ok 18963
188: ok 18964
188: ok 18965
188: ok 18966
188: ok 18967
188: ok 18968
188: ok 18969
188: ok 18970
188: ok 18971
188: ok 18972
188: ok 18973
188: ok 18974
188: ok 18975
188: ok 18976
188: ok 18977
188: ok 18978
188: ok 18979
188: ok 18980
188: ok 18981
188: ok 18982
188: ok 18983
188: ok 18984
188: ok 18985
188: ok 18986
188: ok 18987
188: ok 18988
188: ok 18989
188: ok 18990
188: ok 18991
188: ok 18992
188: ok 18993
188: ok 18994
188: ok 18995
188: ok 18996
188: ok 18997
188: ok 18998
188: ok 18999
188: ok 19000
188: ok 19001
188: ok 19002
188: ok 19003
188: ok 19004
188: ok 19005
188: ok 19006
188: ok 19007
188: ok 19008
188: ok 19009
188: ok 19010
188: ok 19011
188: ok 19012
188: ok 19013
188: ok 19014
188: ok 19015
188: ok 19016
188: ok 19017
188: ok 19018
188: ok 19019
188: ok 19020
188: ok 19021
188: ok 19022
188: ok 19023
188: ok 19024
188: ok 19025
188: ok 19026
188: ok 19027
188: ok 19028
188: ok 19029
188: ok 19030
188: ok 19031
188: ok 19032
188: ok 19033
188: ok 19034
188: ok 19035
188: ok 19036
188: ok 19037
188: ok 19038
188: ok 19039
188: ok 19040
188: ok 19041
188: ok 19042
188: ok 19043
188: ok 19044
188: ok 19045
188: ok 19046
188: ok 19047
188: ok 19048
188: ok 19049
188: ok 19050
188: ok 19051
188: ok 19052
188: ok 19053
188: ok 19054
188: ok 19055
188: ok 19056
188: ok 19057
188: ok 19058
188: ok 19059
188: ok 19060
188: ok 19061
188: ok 19062
188: ok 19063
188: ok 19064
188: ok 19065
188: ok 19066
188: ok 19067
188: ok 19068
188: ok 19069
188: ok 19070
188: ok 19071
188: ok 19072
188: ok 19073
188: ok 19074
188: ok 19075
188: ok 19076
188: ok 19077
188: ok 19078
188: ok 19079
188: ok 19080
188: ok 19081
188: ok 19082
188: ok 19083
188: ok 19084
188: ok 19085
188: ok 19086
188: ok 19087
188: ok 19088
188: ok 19089
188: ok 19090
188: ok 19091
188: ok 19092
188: ok 19093
188: ok 19094
188: ok 19095
188: ok 19096
188: ok 19097
188: ok 19098
188: ok 19099
188: ok 19100
188: ok 19101
188: ok 19102
188: ok 19103
188: ok 19104
188: ok 19105
188: ok 19106
188: ok 19107
188: ok 19108
188: ok 19109
188: ok 19110
188: ok 19111
188: ok 19112
188: ok 19113
188: ok 19114
188: ok 19115
188: ok 19116
188: ok 19117
188: ok 19118
188: ok 19119
188: ok 19120
188: ok 19121
188: ok 19122
188: ok 19123
188: ok 19124
188: ok 19125
188: ok 19126
188: ok 19127
188: ok 19128
188: ok 19129
188: ok 19130
188: ok 19131
188: ok 19132
188: ok 19133
188: ok 19134
188: ok 19135
188: ok 19136
188: ok 19137
188: ok 19138
188: ok 19139
188: ok 19140
188: ok 19141
188: ok 19142
188: ok 19143
188: ok 19144
188: ok 19145
188: ok 19146
188: ok 19147
188: ok 19148
188: ok 19149
188: ok 19150
188: ok 19151
188: ok 19152
188: ok 19153
188: ok 19154
188: ok 19155
188: ok 19156
188: ok 19157
188: ok 19158
188: ok 19159
188: ok 19160
188: ok 19161
188: ok 19162
188: ok 19163
188: ok 19164
188: ok 19165
188: ok 19166
188: ok 19167
188: ok 19168
188: ok 19169
188: ok 19170
188: ok 19171
188: ok 19172
188: ok 19173
188: ok 19174
188: ok 19175
188: ok 19176
188: ok 19177
188: ok 19178
188: ok 19179
188: ok 19180
188: ok 19181
188: ok 19182
188: ok 19183
188: ok 19184
188: ok 19185
188: ok 19186
188: ok 19187
188: ok 19188
188: ok 19189
188: ok 19190
188: ok 19191
188: ok 19192
188: ok 19193
188: ok 19194
188: ok 19195
188: ok 19196
188: ok 19197
188: ok 19198
188: ok 19199
188: ok 19200
188: ok 19201
188: ok 19202
188: ok 19203
188: ok 19204
188: ok 19205
188: ok 19206
188: ok 19207
188: ok 19208
188: ok 19209
188: ok 19210
188: ok 19211
188: ok 19212
188: ok 19213
188: ok 19214
188: ok 19215
188: ok 19216
188: ok 19217
188: ok 19218
188: ok 19219
188: ok 19220
188: ok 19221
188: ok 19222
188: ok 19223
188: ok 19224
188: ok 19225
188: ok 19226
188: ok 19227
188: ok 19228
188: ok 19229
188: ok 19230
188: ok 19231
188: ok 19232
188: ok 19233
188: ok 19234
188: ok 19235
188: ok 19236
188: ok 19237
188: ok 19238
188: ok 19239
188: ok 19240
188: ok 19241
188: ok 19242
188: ok 19243
188: ok 19244
188: ok 19245
188: ok 19246
188: ok 19247
188: ok 19248
188: ok 19249
188: ok 19250
188: ok 19251
188: ok 19252
188: ok 19253
188: ok 19254
188: ok 19255
188: ok 19256
188: ok 19257
188: ok 19258
188: ok 19259
188: ok 19260
188: ok 19261
188: ok 19262
188: ok 19263
188: ok 19264
188: ok 19265
188: ok 19266
188: ok 19267
188: ok 19268
188: ok 19269
188: ok 19270
188: ok 19271
188: ok 19272
188: ok 19273
188: ok 19274
188: ok 19275
188: ok 19276
188: ok 19277
188: ok 19278
188: ok 19279
188: ok 19280
188: ok 19281
188: ok 19282
188: ok 19283
188: ok 19284
188: ok 19285
188: ok 19286
188: ok 19287
188: ok 19288
188: ok 19289
188: ok 19290
188: ok 19291
188: ok 19292
188: ok 19293
188: ok 19294
188: ok 19295
188: ok 19296
188: ok 19297
188: ok 19298
188: ok 19299
188: ok 19300
188: ok 19301
188: ok 19302
188: ok 19303
188: ok 19304
188: ok 19305
188: ok 19306
188: ok 19307
188: ok 19308
188: ok 19309
188: ok 19310
188: ok 19311
188: ok 19312
188: ok 19313
188: ok 19314
188: ok 19315
188: ok 19316
188: ok 19317
188: ok 19318
188: ok 19319
188: ok 19320
188: ok 19321
188: ok 19322
188: ok 19323
188: ok 19324
188: ok 19325
188: ok 19326
188: ok 19327
188: ok 19328
188: ok 19329
188: ok 19330
188: ok 19331
188: ok 19332
188: ok 19333
188: ok 19334
188: ok 19335
188: ok 19336
188: ok 19337
188: ok 19338
188: ok 19339
188: ok 19340
188: ok 19341
188: ok 19342
188: ok 19343
188: ok 19344
188: ok 19345
188: ok 19346
188: ok 19347
188: ok 19348
188: ok 19349
188: ok 19350
188: ok 19351
188: ok 19352
188: ok 19353
188: ok 19354
188: ok 19355
188: ok 19356
188: ok 19357
188: ok 19358
188: ok 19359
188: ok 19360
188: ok 19361
188: ok 19362
188: ok 19363
188: ok 19364
188: ok 19365
188: ok 19366
188: ok 19367
188: ok 19368
188: ok 19369
188: ok 19370
188: ok 19371
188: ok 19372
188: ok 19373
188: ok 19374
188: ok 19375
188: ok 19376
188: ok 19377
188: ok 19378
188: ok 19379
188: ok 19380
188: ok 19381
188: ok 19382
188: ok 19383
188: ok 19384
188: ok 19385
188: ok 19386
188: ok 19387
188: ok 19388
188: ok 19389
188: ok 19390
188: ok 19391
188: ok 19392
188: ok 19393
188: ok 19394
188: ok 19395
188: ok 19396
188: ok 19397
188: ok 19398
188: ok 19399
188: ok 19400
188: ok 19401
188: ok 19402
188: ok 19403
188: ok 19404
188: ok 19405
188: ok 19406
188: ok 19407
188: ok 19408
188: ok 19409
188: ok 19410
188: ok 19411
188: ok 19412
188: ok 19413
188: ok 19414
188: ok 19415
188: ok 19416
188: ok 19417
188: ok 19418
188: ok 19419
188: ok 19420
188: ok 19421
188: ok 19422
188: ok 19423
188: ok 19424
188: ok 19425
188: ok 19426
188: ok 19427
188: ok 19428
188: ok 19429
188: ok 19430
188: ok 19431
188: ok 19432
188: ok 19433
188: ok 19434
188: ok 19435
188: ok 19436
188: ok 19437
188: ok 19438
188: ok 19439
188: ok 19440
188: ok 19441
188: ok 19442
188: ok 19443
188: ok 19444
188: ok 19445
188: ok 19446
188: ok 19447
188: ok 19448
188: ok 19449
188: ok 19450
188: ok 19451
188: ok 19452
188: ok 19453
188: ok 19454
188: ok 19455
188: ok 19456
188: ok 19457
188: ok 19458
188: ok 19459
188: ok 19460
188: ok 19461
188: ok 19462
188: ok 19463
188: ok 19464
188: ok 19465
188: ok 19466
188: ok 19467
188: ok 19468
188: ok 19469
188: ok 19470
188: ok 19471
188: ok 19472
188: ok 19473
188: ok 19474
188: ok 19475
188: ok 19476
188: ok 19477
188: ok 19478
188: ok 19479
188: ok 19480
188: ok 19481
188: ok 19482
188: ok 19483
188: ok 19484
188: ok 19485
188: ok 19486
188: ok 19487
188: ok 19488
188: ok 19489
188: ok 19490
188: ok 19491
188: ok 19492
188: ok 19493
188: ok 19494
188: ok 19495
188: ok 19496
188: ok 19497
188: ok 19498
188: ok 19499
188: ok 19500
188: ok 19501
188: ok 19502
188: ok 19503
188: ok 19504
188: ok 19505
188: ok 19506
188: ok 19507
188: ok 19508
188: ok 19509
188: ok 19510
188: ok 19511
188: ok 19512
188: ok 19513
188: ok 19514
188: ok 19515
188: ok 19516
188: ok 19517
188: ok 19518
188: ok 19519
188: ok 19520
188: ok 19521
188: ok 19522
188: ok 19523
188: ok 19524
188: ok 19525
188: ok 19526
188: ok 19527
188: ok 19528
188: ok 19529
188: ok 19530
188: ok 19531
188: ok 19532
188: ok 19533
188: ok 19534
188: ok 19535
188: ok 19536
188: ok 19537
188: ok 19538
188: ok 19539
188: ok 19540
188: ok 19541
188: ok 19542
188: ok 19543
188: ok 19544
188: ok 19545
188: ok 19546
188: ok 19547
188: ok 19548
188: ok 19549
188: ok 19550
188: ok 19551
188: ok 19552
188: ok 19553
188: ok 19554
188: ok 19555
188: ok 19556
188: ok 19557
188: ok 19558
188: ok 19559
188: ok 19560
188: ok 19561
188: ok 19562
188: ok 19563
188: ok 19564
188: ok 19565
188: ok 19566
188: ok 19567
188: ok 19568
188: ok 19569
188: ok 19570
188: ok 19571
188: ok 19572
188: ok 19573
188: ok 19574
188: ok 19575
188: ok 19576
188: ok 19577
188: ok 19578
188: ok 19579
188: ok 19580
188: ok 19581
188: ok 19582
188: ok 19583
188: ok 19584
188: ok 19585
188: ok 19586
188: ok 19587
188: ok 19588
188: ok 19589
188: ok 19590
188: ok 19591
188: ok 19592
188: ok 19593
188: ok 19594
188: ok 19595
188: ok 19596
188: ok 19597
188: ok 19598
188: ok 19599
188: ok 19600
188: ok 19601
188: ok 19602
188: ok 19603
188: ok 19604
188: ok 19605
188: ok 19606
188: ok 19607
188: ok 19608
188: ok 19609
188: ok 19610
188: ok 19611
188: ok 19612
188: ok 19613
188: ok 19614
188: ok 19615
188: ok 19616
188: ok 19617
188: ok 19618
188: ok 19619
188: ok 19620
188: ok 19621
188: ok 19622
188: ok 19623
188: ok 19624
188: ok 19625
188: ok 19626
188: ok 19627
188: ok 19628
188: ok 19629
188: ok 19630
188: ok 19631
188: ok 19632
188: ok 19633
188: ok 19634
188: ok 19635
188: ok 19636
188: ok 19637
188: ok 19638
188: ok 19639
188: ok 19640
188: ok 19641
188: ok 19642
188: ok 19643
188: ok 19644
188: ok 19645
188: ok 19646
188: ok 19647
188: ok 19648
188: ok 19649
188: ok 19650
188: ok 19651
188: ok 19652
188: ok 19653
188: ok 19654
188: ok 19655
188: ok 19656
188: ok 19657
188: ok 19658
188: ok 19659
188: ok 19660
188: ok 19661
188: ok 19662
188: ok 19663
188: ok 19664
188: ok 19665
188: ok 19666
188: ok 19667
188: ok 19668
188: ok 19669
188: ok 19670
188: ok 19671
188: ok 19672
188: ok 19673
188: ok 19674
188: ok 19675
188: ok 19676
188: ok 19677
188: ok 19678
188: ok 19679
188: ok 19680
188: ok 19681
188: ok 19682
188: ok 19683
188: ok 19684
188: ok 19685
188: ok 19686
188: ok 19687
188: ok 19688
188: ok 19689
188: ok 19690
188: ok 19691
188: ok 19692
188: ok 19693
188: ok 19694
188: ok 19695
188: ok 19696
188: ok 19697
188: ok 19698
188: ok 19699
188: ok 19700
188: ok 19701
188: ok 19702
188: ok 19703
188: ok 19704
188: ok 19705
188: ok 19706
188: ok 19707
188: ok 19708
188: ok 19709
188: ok 19710
188: ok 19711
188: ok 19712
188: ok 19713
188: ok 19714
188: ok 19715
188: ok 19716
188: ok 19717
188: ok 19718
188: ok 19719
188: ok 19720
188: ok 19721
188: ok 19722
188: ok 19723
188: ok 19724
188: ok 19725
188: ok 19726
188: ok 19727
188: ok 19728
188: ok 19729
188: ok 19730
188: ok 19731
188: ok 19732
188: ok 19733
188: ok 19734
188: ok 19735
188: ok 19736
188: ok 19737
188: ok 19738
188: ok 19739
188: ok 19740
188: ok 19741
188: ok 19742
188: ok 19743
188: ok 19744
188: ok 19745
188: ok 19746
188: ok 19747
188: ok 19748
188: ok 19749
188: ok 19750
188: ok 19751
188: ok 19752
188: ok 19753
188: ok 19754
188: ok 19755
188: ok 19756
188: ok 19757
188: ok 19758
188: ok 19759
188: ok 19760
188: ok 19761
188: ok 19762
188: ok 19763
188: ok 19764
188: ok 19765
188: ok 19766
188: ok 19767
188: ok 19768
188: ok 19769
188: ok 19770
188: ok 19771
188: ok 19772
188: ok 19773
188: ok 19774
188: ok 19775
188: ok 19776
188: ok 19777
188: ok 19778
188: ok 19779
188: ok 19780
188: ok 19781
188: ok 19782
188: ok 19783
188: ok 19784
188: ok 19785
188: ok 19786
188: ok 19787
188: ok 19788
188: ok 19789
188: ok 19790
188: ok 19791
188: ok 19792
188: ok 19793
188: ok 19794
188: ok 19795
188: ok 19796
188: ok 19797
188: ok 19798
188: ok 19799
188: ok 19800
188: ok 19801
188: ok 19802
188: ok 19803
188: ok 19804
188: ok 19805
188: ok 19806
188: ok 19807
188: ok 19808
188: ok 19809
188: ok 19810
188: ok 19811
188: ok 19812
188: ok 19813
188: ok 19814
188: ok 19815
188: ok 19816
188: ok 19817
188: ok 19818
188: ok 19819
188: ok 19820
188: ok 19821
188: ok 19822
188: ok 19823
188: ok 19824
188: ok 19825
188: ok 19826
188: ok 19827
188: ok 19828
188: ok 19829
188: ok 19830
188: ok 19831
188: ok 19832
188: ok 19833
188: ok 19834
188: ok 19835
188: ok 19836
188: ok 19837
188: ok 19838
188: ok 19839
188: ok 19840
188: ok 19841
188: ok 19842
188: ok 19843
188: ok 19844
188: ok 19845
188: ok 19846
188: ok 19847
188: ok 19848
188: ok 19849
188: ok 19850
188: ok 19851
188: ok 19852
188: ok 19853
188: ok 19854
188: ok 19855
188: ok 19856
188: ok 19857
188: ok 19858
188: ok 19859
188: ok 19860
188: ok 19861
188: ok 19862
188: ok 19863
188: ok 19864
188: ok 19865
188: ok 19866
188: ok 19867
188: ok 19868
188: ok 19869
188: ok 19870
188: ok 19871
188: ok 19872
188: ok 19873
188: ok 19874
188: ok 19875
188: ok 19876
188: ok 19877
188: ok 19878
188: ok 19879
188: ok 19880
188: ok 19881
188: ok 19882
188: ok 19883
188: ok 19884
188: ok 19885
188: ok 19886
188: ok 19887
188: ok 19888
188: ok 19889
188: ok 19890
188: ok 19891
188: ok 19892
188: ok 19893
188: ok 19894
188: ok 19895
188: ok 19896
188: ok 19897
188: ok 19898
188: ok 19899
188: ok 19900
188: ok 19901
188: ok 19902
188: ok 19903
188: ok 19904
188: ok 19905
188: ok 19906
188: ok 19907
188: ok 19908
188: ok 19909
188: ok 19910
188: ok 19911
188: ok 19912
188: ok 19913
188: ok 19914
188: ok 19915
188: ok 19916
188: ok 19917
188: ok 19918
188: ok 19919
188: ok 19920
188: ok 19921
188: ok 19922
188: ok 19923
188: ok 19924
188: ok 19925
188: ok 19926
188: ok 19927
188: ok 19928
188: ok 19929
188: ok 19930
188: ok 19931
188: ok 19932
188: ok 19933
188: ok 19934
188: ok 19935
188: ok 19936
188: ok 19937
188: ok 19938
188: ok 19939
188: ok 19940
188: ok 19941
188: ok 19942
188: ok 19943
188: ok 19944
188: ok 19945
188: ok 19946
188: ok 19947
188: ok 19948
188: ok 19949
188: ok 19950
188: ok 19951
188: ok 19952
188: ok 19953
188: ok 19954
188: ok 19955
188: ok 19956
188: ok 19957
188: ok 19958
188: ok 19959
188: ok 19960
188: ok 19961
188: ok 19962
188: ok 19963
188: ok 19964
188: ok 19965
188: ok 19966
188: ok 19967
188: ok 19968
188: ok 19969
188: ok 19970
188: ok 19971
188: ok 19972
188: ok 19973
188: ok 19974
188: ok 19975
188: ok 19976
188: ok 19977
188: ok 19978
188: ok 19979
188: ok 19980
188: ok 19981
188: ok 19982
188: ok 19983
188: ok 19984
188: ok 19985
188: ok 19986
188: ok 19987
188: ok 19988
188: ok 19989
188: ok 19990
188: ok 19991
188: ok 19992
188: ok 19993
188: ok 19994
188: ok 19995
188: ok 19996
188: ok 19997
188: ok 19998
188: ok 19999
188: ok 20000
188: ok 20001
188: ok 20002
188: ok 20003
188: ok 20004
188: ok 20005
188: ok 20006
188: ok 20007
188: ok 20008
188: ok 20009
188: ok 20010
188: ok 20011
188: ok 20012
188: ok 20013
188: ok 20014
188: ok 20015
188: ok 20016
188: ok 20017
188: ok 20018
188: ok 20019
188: ok 20020
188: ok 20021
188: ok 20022
188: ok 20023
188: ok 20024
188: ok 20025
188: ok 20026
188: ok 20027
188: ok 20028
188: ok 20029
188: ok 20030
188: ok 20031
188: ok 20032
188: ok 20033
188: ok 20034
188: ok 20035
188: ok 20036
188: ok 20037
188: ok 20038
188: ok 20039
188: ok 20040
188: ok 20041
188: ok 20042
188: ok 20043
188: ok 20044
188: ok 20045
188: ok 20046
188: ok 20047
188: ok 20048
188: ok 20049
188: ok 20050
188: ok 20051
188: ok 20052
188: ok 20053
188: ok 20054
188: ok 20055
188: ok 20056
188: ok 20057
188: ok 20058
188: ok 20059
188: ok 20060
188: ok 20061
188: ok 20062
188: ok 20063
188: ok 20064
188: ok 20065
188: ok 20066
188: ok 20067
188: ok 20068
188: ok 20069
188: ok 20070
188: ok 20071
188: ok 20072
188: ok 20073
188: ok 20074
188: ok 20075
188: ok 20076
188: ok 20077
188: ok 20078
188: ok 20079
188: ok 20080
188: ok 20081
188: ok 20082
188: ok 20083
188: ok 20084
188: ok 20085
188: ok 20086
188: ok 20087
188: ok 20088
188: ok 20089
188: ok 20090
188: ok 20091
188: ok 20092
188: ok 20093
188: ok 20094
188: ok 20095
188: ok 20096
188: ok 20097
188: ok 20098
188: ok 20099
188: ok 20100
188: ok 20101
188: ok 20102
188: ok 20103
188: ok 20104
188: ok 20105
188: ok 20106
188: ok 20107
188: ok 20108
188: ok 20109
188: ok 20110
188: ok 20111
188: ok 20112
188: ok 20113
188: ok 20114
188: ok 20115
188: ok 20116
188: ok 20117
188: ok 20118
188: ok 20119
188: ok 20120
188: ok 20121
188: ok 20122
188: ok 20123
188: ok 20124
188: ok 20125
188: ok 20126
188: ok 20127
188: ok 20128
188: ok 20129
188: ok 20130
188: ok 20131
188: ok 20132
188: ok 20133
188: ok 20134
188: ok 20135
188: ok 20136
188: ok 20137
188: ok 20138
188: ok 20139
188: ok 20140
188: ok 20141
188: ok 20142
188: ok 20143
188: ok 20144
188: ok 20145
188: ok 20146
188: ok 20147
188: ok 20148
188: ok 20149
188: ok 20150
188: ok 20151
188: ok 20152
188: ok 20153
188: ok 20154
188: ok 20155
188: ok 20156
188: ok 20157
188: ok 20158
188: ok 20159
188: ok 20160
188: ok 20161
188: ok 20162
188: ok 20163
188: ok 20164
188: ok 20165
188: ok 20166
188: ok 20167
188: ok 20168
188: ok 20169
188: ok 20170
188: ok 20171
188: ok 20172
188: ok 20173
188: ok 20174
188: ok 20175
188: ok 20176
188: ok 20177
188: ok 20178
188: ok 20179
188: ok 20180
188: ok 20181
188: ok 20182
188: ok 20183
188: ok 20184
188: ok 20185
188: ok 20186
188: ok 20187
188: ok 20188
188: ok 20189
188: ok 20190
188: ok 20191
188: ok 20192
188: ok 20193
188: ok 20194
188: ok 20195
188: ok 20196
188: ok 20197
188: ok 20198
188: ok 20199
188: ok 20200
188: ok 20201
188: ok 20202
188: ok 20203
188: ok 20204
188: ok 20205
188: ok 20206
188: ok 20207
188: ok 20208
188: ok 20209
188: ok 20210
188: ok 20211
188: ok 20212
188: ok 20213
188: ok 20214
188: ok 20215
188: ok 20216
188: ok 20217
188: ok 20218
188: ok 20219
188: ok 20220
188: ok 20221
188: ok 20222
188: ok 20223
188: ok 20224
188: ok 20225
188: ok 20226
188: ok 20227
188: ok 20228
188: ok 20229
188: ok 20230
188: ok 20231
188: ok 20232
188: ok 20233
188: ok 20234
188: ok 20235
188: ok 20236
188: ok 20237
188: ok 20238
188: ok 20239
188: ok 20240
188: ok 20241
188: ok 20242
188: ok 20243
188: ok 20244
188: ok 20245
188: ok 20246
188: ok 20247
188: ok 20248
188: ok 20249
188: ok 20250
188: ok 20251
188: ok 20252
188: ok 20253
188: ok 20254
188: ok 20255
188: ok 20256
188: ok 20257
188: ok 20258
188: ok 20259
188: ok 20260
188: ok 20261
188: ok 20262
188: ok 20263
188: ok 20264
188: ok 20265
188: ok 20266
188: ok 20267
188: ok 20268
188: ok 20269
188: ok 20270
188: ok 20271
188: ok 20272
188: ok 20273
188: ok 20274
188: ok 20275
188: ok 20276
188: ok 20277
188: ok 20278
188: ok 20279
188: ok 20280
188: ok 20281
188: ok 20282
188: ok 20283
188: ok 20284
188: ok 20285
188: ok 20286
188: ok 20287
188: ok 20288
188: ok 20289
188: ok 20290
188: ok 20291
188: ok 20292
188: ok 20293
188: ok 20294
188: ok 20295
188: ok 20296
188: ok 20297
188: ok 20298
188: ok 20299
188: ok 20300
188: ok 20301
188: ok 20302
188: ok 20303
188: ok 20304
188: ok 20305
188: ok 20306
188: ok 20307
188: ok 20308
188: ok 20309
188: ok 20310
188: ok 20311
188: ok 20312
188: ok 20313
188: ok 20314
188: ok 20315
188: ok 20316
188: ok 20317
188: ok 20318
188: ok 20319
188: ok 20320
188: ok 20321
188: ok 20322
188: ok 20323
188: ok 20324
188: ok 20325
188: ok 20326
188: ok 20327
188: ok 20328
188: ok 20329
188: ok 20330
188: ok 20331
188: ok 20332
188: ok 20333
188: ok 20334
188: ok 20335
188: ok 20336
188: ok 20337
188: ok 20338
188: ok 20339
188: ok 20340
188: ok 20341
188: ok 20342
188: ok 20343
188: ok 20344
188: ok 20345
188: ok 20346
188: ok 20347
188: ok 20348
188: ok 20349
188: ok 20350
188: ok 20351
188: ok 20352
188: ok 20353
188: ok 20354
188: ok 20355
188: ok 20356
188: ok 20357
188: ok 20358
188: ok 20359
188: ok 20360
188: ok 20361
188: ok 20362
188: ok 20363
188: ok 20364
188: ok 20365
188: ok 20366
188: ok 20367
188: ok 20368
188: ok 20369
188: ok 20370
188: ok 20371
188: ok 20372
188: ok 20373
188: ok 20374
188: ok 20375
188: ok 20376
188: ok 20377
188: ok 20378
188: ok 20379
188: ok 20380
188: ok 20381
188: ok 20382
188: ok 20383
188: ok 20384
188: ok 20385
188: ok 20386
188: ok 20387
188: ok 20388
188: ok 20389
188: ok 20390
188: ok 20391
188: ok 20392
188: ok 20393
188: ok 20394
188: ok 20395
188: ok 20396
188: ok 20397
188: ok 20398
188: ok 20399
188: ok 20400
188: ok 20401
188: ok 20402
188: ok 20403
188: ok 20404
188: ok 20405
188: ok 20406
188: ok 20407
188: ok 20408
188: ok 20409
188: ok 20410
188: ok 20411
188: ok 20412
188: ok 20413
188: ok 20414
188: ok 20415
188: ok 20416
188: ok 20417
188: ok 20418
188: ok 20419
188: ok 20420
188: ok 20421
188: ok 20422
188: ok 20423
188: ok 20424
188: ok 20425
188: ok 20426
188: ok 20427
188: ok 20428
188: ok 20429
188: ok 20430
188: ok 20431
188: ok 20432
188: ok 20433
188: ok 20434
188: ok 20435
188: ok 20436
188: ok 20437
188: ok 20438
188: ok 20439
188: ok 20440
188: ok 20441
188: ok 20442
188: ok 20443
188: ok 20444
188: ok 20445
188: ok 20446
188: ok 20447
188: ok 20448
188: ok 20449
188: ok 20450
188: ok 20451
188: ok 20452
188: ok 20453
188: ok 20454
188: ok 20455
188: ok 20456
188: ok 20457
188: ok 20458
188: ok 20459
188: ok 20460
188: ok 20461
188: ok 20462
188: ok 20463
188: ok 20464
188: ok 20465
188: ok 20466
188: ok 20467
188: ok 20468
188: ok 20469
188: ok 20470
188: ok 20471
188: ok 20472
188: ok 20473
188: ok 20474
188: ok 20475
188: ok 20476
188: ok 20477
188: ok 20478
188: ok 20479
188: ok 20480
188: ok 20481
188: ok 20482
188: ok 20483
188: ok 20484
188: ok 20485
188: ok 20486
188: ok 20487
188: ok 20488
188: ok 20489
188: ok 20490
188: ok 20491
188: ok 20492
188: ok 20493
188: ok 20494
188: ok 20495
188: ok 20496
188: ok 20497
188: ok 20498
188: ok 20499
188: ok 20500
188: ok 20501
188: ok 20502
188: ok 20503
188: ok 20504
188: ok 20505
188: ok 20506
188: ok 20507
188: ok 20508
188: ok 20509
188: ok 20510
188: ok 20511
188: ok 20512
188: ok 20513
188: ok 20514
188: ok 20515
188: ok 20516
188: ok 20517
188: ok 20518
188: ok 20519
188: ok 20520
188: ok 20521
188: ok 20522
188: ok 20523
188: ok 20524
188: ok 20525
188: ok 20526
188: ok 20527
188: ok 20528
188: ok 20529
188: ok 20530
188: ok 20531
188: ok 20532
188: ok 20533
188: ok 20534
188: ok 20535
188: ok 20536
188: ok 20537
188: ok 20538
188: ok 20539
188: ok 20540
188: ok 20541
188: ok 20542
188: ok 20543
188: ok 20544
188: ok 20545
188: ok 20546
188: ok 20547
188: ok 20548
188: ok 20549
188: ok 20550
188: ok 20551
188: ok 20552
188: ok 20553
188: ok 20554
188: ok 20555
188: ok 20556
188: ok 20557
188: ok 20558
188: ok 20559
188: ok 20560
188: ok 20561
188: ok 20562
188: ok 20563
188: ok 20564
188: ok 20565
188: ok 20566
188: ok 20567
188: ok 20568
188: ok 20569
188: ok 20570
188: ok 20571
188: ok 20572
188: ok 20573
188: ok 20574
188: ok 20575
188: ok 20576
188: ok 20577
188: ok 20578
188: ok 20579
188: ok 20580
188: ok 20581
188: ok 20582
188: ok 20583
188: ok 20584
188: ok 20585
188: ok 20586
188: ok 20587
188: ok 20588
188: ok 20589
188: ok 20590
188: ok 20591
188: ok 20592
188: ok 20593
188: ok 20594
188: ok 20595
188: ok 20596
188: ok 20597
188: ok 20598
188: ok 20599
188: ok 20600
188: ok 20601
188: ok 20602
188: ok 20603
188: ok 20604
188: ok 20605
188: ok 20606
188: ok 20607
188: ok 20608
188: ok 20609
188: ok 20610
188: ok 20611
188: ok 20612
188: ok 20613
188: ok 20614
188: ok 20615
188: ok 20616
188: ok 20617
188: ok 20618
188: ok 20619
188: ok 20620
188: ok 20621
188: ok 20622
188: ok 20623
188: ok 20624
188: ok 20625
188: ok 20626
188: ok 20627
188: ok 20628
188: ok 20629
188: ok 20630
188: ok 20631
188: ok 20632
188: ok 20633
188: ok 20634
188: ok 20635
188: ok 20636
188: ok 20637
188: ok 20638
188: ok 20639
188: ok 20640
188: ok 20641
188: ok 20642
188: ok 20643
188: ok 20644
188: ok 20645
188: ok 20646
188: ok 20647
188: ok 20648
188: ok 20649
188: ok 20650
188: ok 20651
188: ok 20652
188: ok 20653
188: ok 20654
188: ok 20655
188: ok 20656
188: ok 20657
188: ok 20658
188: ok 20659
188: ok 20660
188: ok 20661
188: ok 20662
188: ok 20663
188: ok 20664
188: ok 20665
188: ok 20666
188: ok 20667
188: ok 20668
188: ok 20669
188: ok 20670
188: ok 20671
188: ok 20672
188: ok 20673
188: ok 20674
188: ok 20675
188: ok 20676
188: ok 20677
188: ok 20678
188: ok 20679
188: ok 20680
188: ok 20681
188: ok 20682
188: ok 20683
188: ok 20684
188: ok 20685
188: ok 20686
188: ok 20687
188: ok 20688
188: ok 20689
188: ok 20690
188: ok 20691
188: ok 20692
188: ok 20693
188: ok 20694
188: ok 20695
188: ok 20696
188: ok 20697
188: ok 20698
188: ok 20699
188: ok 20700
188: ok 20701
188: ok 20702
188: ok 20703
188: ok 20704
188: ok 20705
188: ok 20706
188: ok 20707
188: ok 20708
188: ok 20709
188: ok 20710
188: ok 20711
188: ok 20712
188: ok 20713
188: ok 20714
188: ok 20715
188: ok 20716
188: ok 20717
188: ok 20718
188: ok 20719
188: ok 20720
188: ok 20721
188: ok 20722
188: ok 20723
188: ok 20724
188: ok 20725
188: ok 20726
188: ok 20727
188: ok 20728
188: ok 20729
188: ok 20730
188: ok 20731
188: ok 20732
188: ok 20733
188: ok 20734
188: ok 20735
188: ok 20736
188: ok 20737
188: ok 20738
188: ok 20739
188: ok 20740
188: ok 20741
188: ok 20742
188: ok 20743
188: ok 20744
188: ok 20745
188: ok 20746
188: ok 20747
188: ok 20748
188: ok 20749
188: ok 20750
188: ok 20751
188: ok 20752
188: ok 20753
188: ok 20754
188: ok 20755
188: ok 20756
188: ok 20757
188: ok 20758
188: ok 20759
188: ok 20760
188: ok 20761
188: ok 20762
188: ok 20763
188: ok 20764
188: ok 20765
188: ok 20766
188: ok 20767
188: ok 20768
188: ok 20769
188: ok 20770
188: ok 20771
188: ok 20772
188: ok 20773
188: ok 20774
188: ok 20775
188: ok 20776
188: ok 20777
188: ok 20778
188: ok 20779
188: ok 20780
188: ok 20781
188: ok 20782
188: ok 20783
188: ok 20784
188: ok 20785
188: ok 20786
188: ok 20787
188: ok 20788
188: ok 20789
188: ok 20790
188: ok 20791
188: ok 20792
188: ok 20793
188: ok 20794
188: ok 20795
188: ok 20796
188: ok 20797
188: ok 20798
188: ok 20799
188: ok 20800
188: ok 20801
188: ok 20802
188: ok 20803
188: ok 20804
188: ok 20805
188: ok 20806
188: ok 20807
188: ok 20808
188: ok 20809
188: ok 20810
188: ok 20811
188: ok 20812
188: ok 20813
188: ok 20814
188: ok 20815
188: ok 20816
188: ok 20817
188: ok 20818
188: ok 20819
188: ok 20820
188: ok 20821
188: ok 20822
188: ok 20823
188: ok 20824
188: ok 20825
188: ok 20826
188: ok 20827
188: ok 20828
188: ok 20829
188: ok 20830
188: ok 20831
188: ok 20832
188: ok 20833
188: ok 20834
188: ok 20835
188: ok 20836
188: ok 20837
188: ok 20838
188: ok 20839
188: ok 20840
188: ok 20841
188: ok 20842
188: ok 20843
188: ok 20844
188: ok 20845
188: ok 20846
188: ok 20847
188: ok 20848
188: ok 20849
188: ok 20850
188: ok 20851
188: ok 20852
188: ok 20853
188: ok 20854
188: ok 20855
188: ok 20856
188: ok 20857
188: ok 20858
188: ok 20859
188: ok 20860
188: ok 20861
188: ok 20862
188: ok 20863
188: ok 20864
188: ok 20865
188: ok 20866
188: ok 20867
188: ok 20868
188: ok 20869
188: ok 20870
188: ok 20871
188: ok 20872
188: ok 20873
188: ok 20874
188: ok 20875
188: ok 20876
188: ok 20877
188: ok 20878
188: ok 20879
188: ok 20880
188: ok 20881
188: ok 20882
188: ok 20883
188: ok 20884
188: ok 20885
188: ok 20886
188: ok 20887
188: ok 20888
188: ok 20889
188: ok 20890
188: ok 20891
188: ok 20892
188: ok 20893
188: ok 20894
188: ok 20895
188: ok 20896
188: ok 20897
188: ok 20898
188: ok 20899
188: ok 20900
188: ok 20901
188: ok 20902
188: ok 20903
188: ok 20904
188: ok 20905
188: ok 20906
188: ok 20907
188: ok 20908
188: ok 20909
188: ok 20910
188: ok 20911
188: ok 20912
188: ok 20913
188: ok 20914
188: ok 20915
188: ok 20916
188: ok 20917
188: ok 20918
188: ok 20919
188: ok 20920
188: ok 20921
188: ok 20922
188: ok 20923
188: ok 20924
188: ok 20925
188: ok 20926
188: ok 20927
188: ok 20928
188: ok 20929
188: ok 20930
188: ok 20931
188: ok 20932
188: ok 20933
188: ok 20934
188: ok 20935
188: ok 20936
188: ok 20937
188: ok 20938
188: ok 20939
188: ok 20940
188: ok 20941
188: ok 20942
188: ok 20943
188: ok 20944
188: ok 20945
188: ok 20946
188: ok 20947
188: ok 20948
188: ok 20949
188: ok 20950
188: ok 20951
188: ok 20952
188: ok 20953
188: ok 20954
188: ok 20955
188: ok 20956
188: ok 20957
188: ok 20958
188: ok 20959
188: ok 20960
188: ok 20961
188: ok 20962
188: ok 20963
188: ok 20964
188: ok 20965
188: ok 20966
188: ok 20967
188: ok 20968
188: ok 20969
188: ok 20970
188: ok 20971
188: ok 20972
188: ok 20973
188: ok 20974
188: ok 20975
188: ok 20976
188: ok 20977
188: ok 20978
188: ok 20979
188: ok 20980
188: ok 20981
188: ok 20982
188: ok 20983
188: ok 20984
188: ok 20985
188: ok 20986
188: ok 20987
188: ok 20988
188: ok 20989
188: ok 20990
188: ok 20991
188: ok 20992
188: ok 20993
188: ok 20994
188: ok 20995
188: ok 20996
188: ok 20997
188: ok 20998
188: ok 20999
188: ok 21000
188: ok 21001
188: ok 21002
188: ok 21003
188: ok 21004
188: ok 21005
188: ok 21006
188: ok 21007
188: ok 21008
188: ok 21009
188: ok 21010
188: ok 21011
188: ok 21012
188: ok 21013
188: ok 21014
188: ok 21015
188: ok 21016
188: ok 21017
188: ok 21018
188: ok 21019
188: ok 21020
188: ok 21021
188: ok 21022
188: ok 21023
188: ok 21024
188: ok 21025
188: ok 21026
188: ok 21027
188: ok 21028
188: ok 21029
188: ok 21030
188: ok 21031
188: ok 21032
188: ok 21033
188: ok 21034
188: ok 21035
188: ok 21036
188: ok 21037
188: ok 21038
188: ok 21039
188: ok 21040
188: ok 21041
188: ok 21042
188: ok 21043
188: ok 21044
188: ok 21045
188: ok 21046
188: ok 21047
188: ok 21048
188: ok 21049
188: ok 21050
188: ok 21051
188: ok 21052
188: ok 21053
188: ok 21054
188: ok 21055
188: ok 21056
188: ok 21057
188: ok 21058
188: ok 21059
188: ok 21060
188: ok 21061
188: ok 21062
188: ok 21063
188: ok 21064
188: ok 21065
188: ok 21066
188: ok 21067
188: ok 21068
188: ok 21069
188: ok 21070
188: ok 21071
188: ok 21072
188: ok 21073
188: ok 21074
188: ok 21075
188: ok 21076
188: ok 21077
188: ok 21078
188: ok 21079
188: ok 21080
188: ok 21081
188: ok 21082
188: ok 21083
188: ok 21084
188: ok 21085
188: ok 21086
188: ok 21087
188: ok 21088
188: ok 21089
188: ok 21090
188: ok 21091
188: ok 21092
188: ok 21093
188: ok 21094
188: ok 21095
188: ok 21096
188: ok 21097
188: ok 21098
188: ok 21099
188: ok 21100
188: ok 21101
188: ok 21102
188: ok 21103
188: ok 21104
188: ok 21105
188: ok 21106
188: ok 21107
188: ok 21108
188: ok 21109
188: ok 21110
188: ok 21111
188: ok 21112
188: ok 21113
188: ok 21114
188: ok 21115
188: ok 21116
188: ok 21117
188: ok 21118
188: ok 21119
188: ok 21120
188: ok 21121
188: ok 21122
188: ok 21123
188: ok 21124
188: ok 21125
188: ok 21126
188: ok 21127
188: ok 21128
188: ok 21129
188: ok 21130
188: ok 21131
188: ok 21132
188: ok 21133
188: ok 21134
188: ok 21135
188: ok 21136
188: ok 21137
188: ok 21138
188: ok 21139
188: ok 21140
188: ok 21141
188: ok 21142
188: ok 21143
188: ok 21144
188: ok 21145
188: ok 21146
188: ok 21147
188: ok 21148
188: ok 21149
188: ok 21150
188: ok 21151
188: ok 21152
188: ok 21153
188: ok 21154
188: ok 21155
188: ok 21156
188: ok 21157
188: ok 21158
188: ok 21159
188: ok 21160
188: ok 21161
188: ok 21162
188: ok 21163
188: ok 21164
188: ok 21165
188: ok 21166
188: ok 21167
188: ok 21168
188: ok 21169
188: ok 21170
188: ok 21171
188: ok 21172
188: ok 21173
188: ok 21174
188: ok 21175
188: ok 21176
188: ok 21177
188: ok 21178
188: ok 21179
188: ok 21180
188: ok 21181
188: ok 21182
188: ok 21183
188: ok 21184
188: ok 21185
188: ok 21186
188: ok 21187
188: ok 21188
188: ok 21189
188: ok 21190
188: ok 21191
188: ok 21192
188: ok 21193
188: ok 21194
188: ok 21195
188: ok 21196
188: ok 21197
188: ok 21198
188: ok 21199
188: ok 21200
188: ok 21201
188: ok 21202
188: ok 21203
188: ok 21204
188: ok 21205
188: ok 21206
188: ok 21207
188: ok 21208
188: ok 21209
188: ok 21210
188: ok 21211
188: ok 21212
188: ok 21213
188: ok 21214
188: ok 21215
188: ok 21216
188: ok 21217
188: ok 21218
188: ok 21219
188: ok 21220
188: ok 21221
188: ok 21222
188: ok 21223
188: ok 21224
188: ok 21225
188: ok 21226
188: ok 21227
188: ok 21228
188: ok 21229
188: ok 21230
188: ok 21231
188: ok 21232
188: ok 21233
188: ok 21234
188: ok 21235
188: ok 21236
188: ok 21237
188: ok 21238
188: ok 21239
188: ok 21240
188: ok 21241
188: ok 21242
188: ok 21243
188: ok 21244
188: ok 21245
188: ok 21246
188: ok 21247
188: ok 21248
188: ok 21249
188: ok 21250
188: ok 21251
188: ok 21252
188: ok 21253
188: ok 21254
188: ok 21255
188: ok 21256
188: ok 21257
188: ok 21258
188: ok 21259
188: ok 21260
188: ok 21261
188: ok 21262
188: ok 21263
188: ok 21264
188: ok 21265
188: ok 21266
188: ok 21267
188: ok 21268
188: ok 21269
188: ok 21270
188: ok 21271
188: ok 21272
188: ok 21273
188: ok 21274
188: ok 21275
188: ok 21276
188: ok 21277
188: ok 21278
188: ok 21279
188: ok 21280
188: ok 21281
188: ok 21282
188: ok 21283
188: ok 21284
188: ok 21285
188: ok 21286
188: ok 21287
188: ok 21288
188: ok 21289
188: ok 21290
188: ok 21291
188: ok 21292
188: ok 21293
188: ok 21294
188: ok 21295
188: ok 21296
188: ok 21297
188: ok 21298
188: ok 21299
188: ok 21300
188: ok 21301
188: ok 21302
188: ok 21303
188: ok 21304
188: ok 21305
188: ok 21306
188: ok 21307
188: ok 21308
188: ok 21309
188: ok 21310
188: ok 21311
188: ok 21312
188: ok 21313
188: ok 21314
188: ok 21315
188: ok 21316
188: ok 21317
188: ok 21318
188: ok 21319
188: ok 21320
188: ok 21321
188: ok 21322
188: ok 21323
188: ok 21324
188: ok 21325
188: ok 21326
188: ok 21327
188: ok 21328
188: ok 21329
188: ok 21330
188: ok 21331
188: ok 21332
188: ok 21333
188: ok 21334
188: ok 21335
188: ok 21336
188: ok 21337
188: ok 21338
188: ok 21339
188: ok 21340
188: ok 21341
188: ok 21342
188: ok 21343
188: ok 21344
188: ok 21345
188: ok 21346
188: ok 21347
188: ok 21348
188: ok 21349
188: ok 21350
188: ok 21351
188: ok 21352
188: ok 21353
188: ok 21354
188: ok 21355
188: ok 21356
188: ok 21357
188: ok 21358
188: ok 21359
188: ok 21360
188: ok 21361
188: ok 21362
188: ok 21363
188: ok 21364
188: ok 21365
188: ok 21366
188: ok 21367
188: ok 21368
188: ok 21369
188: ok 21370
188: ok 21371
188: ok 21372
188: ok 21373
188: ok 21374
188: ok 21375
188: ok 21376
188: ok 21377
188: ok 21378
188: ok 21379
188: ok 21380
188: ok 21381
188: ok 21382
188: ok 21383
188: ok 21384
188: ok 21385
188: ok 21386
188: ok 21387
188: ok 21388
188: ok 21389
188: ok 21390
188: ok 21391
188: ok 21392
188: ok 21393
188: ok 21394
188: ok 21395
188: ok 21396
188: ok 21397
188: ok 21398
188: ok 21399
188: ok 21400
188: ok 21401
188: ok 21402
188: ok 21403
188: ok 21404
188: ok 21405
188: ok 21406
188: ok 21407
188: ok 21408
188: ok 21409
188: ok 21410
188: ok 21411
188: ok 21412
188: ok 21413
188: ok 21414
188: ok 21415
188: ok 21416
188: ok 21417
188: ok 21418
188: ok 21419
188: ok 21420
188: ok 21421
188: ok 21422
188: ok 21423
188: ok 21424
188: ok 21425
188: ok 21426
188: ok 21427
188: ok 21428
188: ok 21429
188: ok 21430
188: ok 21431
188: ok 21432
188: ok 21433
188: ok 21434
188: ok 21435
188: ok 21436
188: ok 21437
188: ok 21438
188: ok 21439
188: ok 21440
188: ok 21441
188: ok 21442
188: ok 21443
188: ok 21444
188: ok 21445
188: ok 21446
188: ok 21447
188: ok 21448
188: ok 21449
188: ok 21450
188: ok 21451
188: ok 21452
188: ok 21453
188: ok 21454
188: ok 21455
188: ok 21456
188: ok 21457
188: ok 21458
188: ok 21459
188: ok 21460
188: ok 21461
188: ok 21462
188: ok 21463
188: ok 21464
188: ok 21465
188: ok 21466
188: ok 21467
188: ok 21468
188: ok 21469
188: ok 21470
188: ok 21471
188: ok 21472
188: ok 21473
188: ok 21474
188: ok 21475
188: ok 21476
188: ok 21477
188: ok 21478
188: ok 21479
188: ok 21480
188: ok 21481
188: ok 21482
188: ok 21483
188: ok 21484
188: ok 21485
188: ok 21486
188: ok 21487
188: ok 21488
188: ok 21489
188: ok 21490
188: ok 21491
188: ok 21492
188: ok 21493
188: ok 21494
188: ok 21495
188: ok 21496
188: ok 21497
188: ok 21498
188: ok 21499
188: ok 21500
188: ok 21501
188: ok 21502
188: ok 21503
188: ok 21504
188: ok 21505
188: ok 21506
188: ok 21507
188: ok 21508
188: ok 21509
188: ok 21510
188: ok 21511
188: ok 21512
188: ok 21513
188: ok 21514
188: ok 21515
188: ok 21516
188: ok 21517
188: ok 21518
188: ok 21519
188: ok 21520
188: ok 21521
188: ok 21522
188: ok 21523
188: ok 21524
188: ok 21525
188: ok 21526
188: ok 21527
188: ok 21528
188: ok 21529
188: ok 21530
188: ok 21531
188: ok 21532
188: ok 21533
188: ok 21534
188: ok 21535
188: ok 21536
188: ok 21537
188: ok 21538
188: ok 21539
188: ok 21540
188: ok 21541
188: ok 21542
188: ok 21543
188: ok 21544
188: ok 21545
188: ok 21546
188: ok 21547
188: ok 21548
188: ok 21549
188: ok 21550
188: ok 21551
188: ok 21552
188: ok 21553
188: ok 21554
188: ok 21555
188: ok 21556
188: ok 21557
188: ok 21558
188: ok 21559
188: ok 21560
188: ok 21561
188: ok 21562
188: ok 21563
188: ok 21564
188: ok 21565
188: ok 21566
188: ok 21567
188: ok 21568
188: ok 21569
188: ok 21570
188: ok 21571
188: ok 21572
188: ok 21573
188: ok 21574
188: ok 21575
188: ok 21576
188: ok 21577
188: ok 21578
188: ok 21579
188: ok 21580
188: ok 21581
188: ok 21582
188: ok 21583
188: ok 21584
188: ok 21585
188: ok 21586
188: ok 21587
188: ok 21588
188: ok 21589
188: ok 21590
188: ok 21591
188: ok 21592
188: ok 21593
188: ok 21594
188: ok 21595
188: ok 21596
188: ok 21597
188: ok 21598
188: ok 21599
188: ok 21600
188: ok 21601
188: ok 21602
188: ok 21603
188: ok 21604
188: ok 21605
188: ok 21606
188: ok 21607
188: ok 21608
188: ok 21609
188: ok 21610
188: ok 21611
188: ok 21612
188: ok 21613
188: ok 21614
188: ok 21615
188: ok 21616
188: ok 21617
188: ok 21618
188: ok 21619
188: ok 21620
188: ok 21621
188: ok 21622
188: ok 21623
188: ok 21624
188: ok 21625
188: ok 21626
188: ok 21627
188: ok 21628
188: ok 21629
188: ok 21630
188: ok 21631
188: ok 21632
188: ok 21633
188: ok 21634
188: ok 21635
188: ok 21636
188: ok 21637
188: ok 21638
188: ok 21639
188: ok 21640
188: ok 21641
188: ok 21642
188: ok 21643
188: ok 21644
188: ok 21645
188: ok 21646
188: ok 21647
188: ok 21648
188: ok 21649
188: ok 21650
188: ok 21651
188: ok 21652
188: ok 21653
188: ok 21654
188: ok 21655
188: ok 21656
188: ok 21657
188: ok 21658
188: ok 21659
188: ok 21660
188: ok 21661
188: ok 21662
188: ok 21663
188: ok 21664
188: ok 21665
188: ok 21666
188: ok 21667
188: ok 21668
188: ok 21669
188: ok 21670
188: ok 21671
188: ok 21672
188: ok 21673
188: ok 21674
188: ok 21675
188: ok 21676
188: ok 21677
188: ok 21678
188: ok 21679
188: ok 21680
188: ok 21681
188: ok 21682
188: ok 21683
188: ok 21684
188: ok 21685
188: ok 21686
188: ok 21687
188: ok 21688
188: ok 21689
188: ok 21690
188: ok 21691
188: ok 21692
188: ok 21693
188: ok 21694
188: ok 21695
188: ok 21696
188: ok 21697
188: ok 21698
188: ok 21699
188: ok 21700
188: ok 21701
188: ok 21702
188: ok 21703
188: ok 21704
188: ok 21705
188: ok 21706
188: ok 21707
188: ok 21708
188: ok 21709
188: ok 21710
188: ok 21711
188: ok 21712
188: ok 21713
188: ok 21714
188: ok 21715
188: ok 21716
188: ok 21717
188: ok 21718
188: ok 21719
188: ok 21720
188: ok 21721
188: ok 21722
188: ok 21723
188: ok 21724
188: ok 21725
188: ok 21726
188: ok 21727
188: ok 21728
188: ok 21729
188: ok 21730
188: ok 21731
188: ok 21732
188: ok 21733
188: ok 21734
188: ok 21735
188: ok 21736
188: ok 21737
188: ok 21738
188: ok 21739
188: ok 21740
188: ok 21741
188: ok 21742
188: ok 21743
188: ok 21744
188: ok 21745
188: ok 21746
188: ok 21747
188: ok 21748
188: ok 21749
188: ok 21750
188: ok 21751
188: ok 21752
188: ok 21753
188: ok 21754
188: ok 21755
188: ok 21756
188: ok 21757
188: ok 21758
188: ok 21759
188: ok 21760
188: ok 21761
188: ok 21762
188: ok 21763
188: ok 21764
188: ok 21765
188: ok 21766
188: ok 21767
188: ok 21768
188: ok 21769
188: ok 21770
188: ok 21771
188: ok 21772
188: ok 21773
188: ok 21774
188: ok 21775
188: ok 21776
188: ok 21777
188: ok 21778
188: ok 21779
188: ok 21780
188: ok 21781
188: ok 21782
188: ok 21783
188: ok 21784
188: ok 21785
188: ok 21786
188: ok 21787
188: ok 21788
188: ok 21789
188: ok 21790
188: ok 21791
188: ok 21792
188: ok 21793
188: ok 21794
188: ok 21795
188: ok 21796
188: ok 21797
188: ok 21798
188: ok 21799
188: ok 21800
188: ok 21801
188: ok 21802
188: ok 21803
188: ok 21804
188: ok 21805
188: ok 21806
188: ok 21807
188: ok 21808
188: ok 21809
188: ok 21810
188: ok 21811
188: ok 21812
188: ok 21813
188: ok 21814
188: ok 21815
188: ok 21816
188: ok 21817
188: ok 21818
188: ok 21819
188: ok 21820
188: ok 21821
188: ok 21822
188: ok 21823
188: ok 21824
188: ok 21825
188: ok 21826
188: ok 21827
188: ok 21828
188: ok 21829
188: ok 21830
188: ok 21831
188: ok 21832
188: ok 21833
188: ok 21834
188: ok 21835
188: ok 21836
188: ok 21837
188: ok 21838
188: ok 21839
188: ok 21840
188: ok 21841
188: ok 21842
188: ok 21843
188: ok 21844
188: ok 21845
188: ok 21846
188: ok 21847
188: ok 21848
188: ok 21849
188: ok 21850
188: ok 21851
188: ok 21852
188: ok 21853
188: ok 21854
188: ok 21855
188: ok 21856
188: ok 21857
188: ok 21858
188: ok 21859
188: ok 21860
188: ok 21861
188: ok 21862
188: ok 21863
188: ok 21864
188: ok 21865
188: ok 21866
188: ok 21867
188: ok 21868
188: ok 21869
188: ok 21870
188: ok 21871
188: ok 21872
188: ok 21873
188: ok 21874
188: ok 21875
188: ok 21876
188: ok 21877
188: ok 21878
188: ok 21879
188: ok 21880
188: ok 21881
188: ok 21882
188: ok 21883
188: ok 21884
188: ok 21885
188: ok 21886
188: ok 21887
188: ok 21888
188: ok 21889
188: ok 21890
188: ok 21891
188: ok 21892
188: ok 21893
188: ok 21894
188: ok 21895
188: ok 21896
188: ok 21897
188: ok 21898
188: ok 21899
188: ok 21900
188: ok 21901
188: ok 21902
188: ok 21903
188: ok 21904
188: ok 21905
188: ok 21906
188: ok 21907
188: ok 21908
188: ok 21909
188: ok 21910
188: ok 21911
188: ok 21912
188: ok 21913
188: ok 21914
188: ok 21915
188: ok 21916
188: ok 21917
188: ok 21918
188: ok 21919
188: ok 21920
188: ok 21921
188: ok 21922
188: ok 21923
188: ok 21924
188: ok 21925
188: ok 21926
188: ok 21927
188: ok 21928
188: ok 21929
188: ok 21930
188: ok 21931
188: ok 21932
188: ok 21933
188: ok 21934
188: ok 21935
188: ok 21936
188: ok 21937
188: ok 21938
188: ok 21939
188: ok 21940
188: ok 21941
188: ok 21942
188: ok 21943
188: ok 21944
188: ok 21945
188: ok 21946
188: ok 21947
188: ok 21948
188: ok 21949
188: ok 21950
188: ok 21951
188: ok 21952
188: ok 21953
188: ok 21954
188: ok 21955
188: ok 21956
188: ok 21957
188: ok 21958
188: ok 21959
188: ok 21960
188: ok 21961
188: ok 21962
188: ok 21963
188: ok 21964
188: ok 21965
188: ok 21966
188: ok 21967
188: ok 21968
188: ok 21969
188: ok 21970
188: ok 21971
188: ok 21972
188: ok 21973
188: ok 21974
188: ok 21975
188: ok 21976
188: ok 21977
188: ok 21978
188: ok 21979
188: ok 21980
188: ok 21981
188: ok 21982
188: ok 21983
188: ok 21984
188: ok 21985
188: ok 21986
188: ok 21987
188: ok 21988
188: ok 21989
188: ok 21990
188: ok 21991
188: ok 21992
188: ok 21993
188: ok 21994
188: ok 21995
188: ok 21996
188: ok 21997
188: ok 21998
188: ok 21999
188: ok 22000
188: ok 22001
188: ok 22002
188: ok 22003
188: ok 22004
188: ok 22005
188: ok 22006
188: ok 22007
188: ok 22008
188: ok 22009
188: ok 22010
188: ok 22011
188: ok 22012
188: ok 22013
188: ok 22014
188: ok 22015
188: ok 22016
188: ok 22017
188: ok 22018
188: ok 22019
188: ok 22020
188: ok 22021
188: ok 22022
188: ok 22023
188: ok 22024
188: ok 22025
188: ok 22026
188: ok 22027
188: ok 22028
188: ok 22029
188: ok 22030
188: ok 22031
188: ok 22032
188: ok 22033
188: ok 22034
188: ok 22035
188: ok 22036
188: ok 22037
188: ok 22038
188: ok 22039
188: ok 22040
188: ok 22041
188: ok 22042
188: ok 22043
188: ok 22044
188: ok 22045
188: ok 22046
188: ok 22047
188: ok 22048
188: ok 22049
188: ok 22050
188: ok 22051
188: ok 22052
188: ok 22053
188: ok 22054
188: ok 22055
188: ok 22056
188: ok 22057
188: ok 22058
188: ok 22059
188: ok 22060
188: ok 22061
188: ok 22062
188: ok 22063
188: ok 22064
188: ok 22065
188: ok 22066
188: ok 22067
188: ok 22068
188: ok 22069
188: ok 22070
188: ok 22071
188: ok 22072
188: ok 22073
188: ok 22074
188: ok 22075
188: ok 22076
188: ok 22077
188: ok 22078
188: ok 22079
188: ok 22080
188: ok 22081
188: ok 22082
188: ok 22083
188: ok 22084
188: ok 22085
188: ok 22086
188: ok 22087
188: ok 22088
188: ok 22089
188: ok 22090
188: ok 22091
188: ok 22092
188: ok 22093
188: ok 22094
188: ok 22095
188: ok 22096
188: ok 22097
188: ok 22098
188: ok 22099
188: ok 22100
188: ok 22101
188: ok 22102
188: ok 22103
188: ok 22104
188: ok 22105
188: ok 22106
188: ok 22107
188: ok 22108
188: ok 22109
188: ok 22110
188: ok 22111
188: ok 22112
188: ok 22113
188: ok 22114
188: ok 22115
188: ok 22116
188: ok 22117
188: ok 22118
188: ok 22119
188: ok 22120
188: ok 22121
188: ok 22122
188: ok 22123
188: ok 22124
188: ok 22125
188: ok 22126
188: ok 22127
188: ok 22128
188: ok 22129
188: ok 22130
188: ok 22131
188: ok 22132
188: ok 22133
188: ok 22134
188: ok 22135
188: ok 22136
188: ok 22137
188: ok 22138
188: ok 22139
188: ok 22140
188: ok 22141
188: ok 22142
188: ok 22143
188: ok 22144
188: ok 22145
188: ok 22146
188: ok 22147
188: ok 22148
188: ok 22149
188: ok 22150
188: ok 22151
188: ok 22152
188: ok 22153
188: ok 22154
188: ok 22155
188: ok 22156
188: ok 22157
188: ok 22158
188: ok 22159
188: ok 22160
188: ok 22161
188: ok 22162
188: ok 22163
188: ok 22164
188: ok 22165
188: ok 22166
188: ok 22167
188: ok 22168
188: ok 22169
188: ok 22170
188: ok 22171
188: ok 22172
188: ok 22173
188: ok 22174
188: ok 22175
188: ok 22176
188: ok 22177
188: ok 22178
188: ok 22179
188: ok 22180
188: ok 22181
188: ok 22182
188: ok 22183
188: ok 22184
188: ok 22185
188: ok 22186
188: ok 22187
188: ok 22188
188: ok 22189
188: ok 22190
188: ok 22191
188: ok 22192
188: ok 22193
188: ok 22194
188: ok 22195
188: ok 22196
188: ok 22197
188: ok 22198
188: ok 22199
188: ok 22200
188: ok 22201
188: ok 22202
188: ok 22203
188: ok 22204
188: ok 22205
188: ok 22206
188: ok 22207
188: ok 22208
188: ok 22209
188: ok 22210
188: ok 22211
188: ok 22212
188: ok 22213
188: ok 22214
188: ok 22215
188: ok 22216
188: ok 22217
188: ok 22218
188: ok 22219
188: ok 22220
188: ok 22221
188: ok 22222
188: ok 22223
188: ok 22224
188: ok 22225
188: ok 22226
188: ok 22227
188: ok 22228
188: ok 22229
188: ok 22230
188: ok 22231
188: ok 22232
188: ok 22233
188: ok 22234
188: ok 22235
188: ok 22236
188: ok 22237
188: ok 22238
188: ok 22239
188: ok 22240
188: ok 22241
188: ok 22242
188: ok 22243
188: ok 22244
188: ok 22245
188: ok 22246
188: ok 22247
188: ok 22248
188: ok 22249
188: ok 22250
188: ok 22251
188: ok 22252
188: ok 22253
188: ok 22254
188: ok 22255
188: ok 22256
188: ok 22257
188: ok 22258
188: ok 22259
188: ok 22260
188: ok 22261
188: ok 22262
188: ok 22263
188: ok 22264
188: ok 22265
188: ok 22266
188: ok 22267
188: ok 22268
188: ok 22269
188: ok 22270
188: ok 22271
188: ok 22272
188: ok 22273
188: ok 22274
188: ok 22275
188: ok 22276
188: ok 22277
188: ok 22278
188: ok 22279
188: ok 22280
188: ok 22281
188: ok 22282
188: ok 22283
188: ok 22284
188: ok 22285
188: ok 22286
188: ok 22287
188: ok 22288
188: ok 22289
188: ok 22290
188: ok 22291
188: ok 22292
188: ok 22293
188: ok 22294
188: ok 22295
188: ok 22296
188: ok 22297
188: ok 22298
188: ok 22299
188: ok 22300
188: ok 22301
188: ok 22302
188: ok 22303
188: ok 22304
188: ok 22305
188: ok 22306
188: ok 22307
188: ok 22308
188: ok 22309
188: ok 22310
188: ok 22311
188: ok 22312
188: ok 22313
188: ok 22314
188: ok 22315
188: ok 22316
188: ok 22317
188: ok 22318
188: ok 22319
188: ok 22320
188: ok 22321
188: ok 22322
188: ok 22323
188: ok 22324
188: ok 22325
188: ok 22326
188: ok 22327
188: ok 22328
188: ok 22329
188: ok 22330
188: ok 22331
188: ok 22332
188: ok 22333
188: ok 22334
188: ok 22335
188: ok 22336
188: ok 22337
188: ok 22338
188: ok 22339
188: ok 22340
188: ok 22341
188: ok 22342
188: ok 22343
188: ok 22344
188: ok 22345
188: ok 22346
188: ok 22347
188: ok 22348
188: ok 22349
188: ok 22350
188: ok 22351
188: ok 22352
188: ok 22353
188: ok 22354
188: ok 22355
188: ok 22356
188: ok 22357
188: ok 22358
188: ok 22359
188: ok 22360
188: ok 22361
188: ok 22362
188: ok 22363
188: ok 22364
188: ok 22365
188: ok 22366
188: ok 22367
188: ok 22368
188: ok 22369
188: ok 22370
188: ok 22371
188: ok 22372
188: ok 22373
188: ok 22374
188: ok 22375
188: ok 22376
188: ok 22377
188: ok 22378
188: ok 22379
188: ok 22380
188: ok 22381
188: ok 22382
188: ok 22383
188: ok 22384
188: ok 22385
188: ok 22386
188: ok 22387
188: ok 22388
188: ok 22389
188: ok 22390
188: ok 22391
188: ok 22392
188: ok 22393
188: ok 22394
188: ok 22395
188: ok 22396
188: ok 22397
188: ok 22398
188: ok 22399
188: ok 22400
188: ok 22401
188: ok 22402
188: ok 22403
188: ok 22404
188: ok 22405
188: ok 22406
188: ok 22407
188: ok 22408
188: ok 22409
188: ok 22410
188: ok 22411
188: ok 22412
188: ok 22413
188: ok 22414
188: ok 22415
188: ok 22416
188: ok 22417
188: ok 22418
188: ok 22419
188: ok 22420
188: ok 22421
188: ok 22422
188: ok 22423
188: ok 22424
188: ok 22425
188: ok 22426
188: ok 22427
188: ok 22428
188: ok 22429
188: ok 22430
188: ok 22431
188: ok 22432
188: ok 22433
188: ok 22434
188: ok 22435
188: ok 22436
188: ok 22437
188: ok 22438
188: ok 22439
188: ok 22440
188: ok 22441
188: ok 22442
188: ok 22443
188: ok 22444
188: ok 22445
188: ok 22446
188: ok 22447
188: ok 22448
188: ok 22449
188: ok 22450
188: ok 22451
188: ok 22452
188: ok 22453
188: ok 22454
188: ok 22455
188: ok 22456
188: ok 22457
188: ok 22458
188: ok 22459
188: ok 22460
188: ok 22461
188: ok 22462
188: ok 22463
188: ok 22464
188: ok 22465
188: ok 22466
188: ok 22467
188: ok 22468
188: ok 22469
188: ok 22470
188: ok 22471
188: ok 22472
188: ok 22473
188: ok 22474
188: ok 22475
188: ok 22476
188: ok 22477
188: ok 22478
188: ok 22479
188: ok 22480
188: ok 22481
188: ok 22482
188: ok 22483
188: ok 22484
188: ok 22485
188: ok 22486
188: ok 22487
188: ok 22488
188: ok 22489
188: ok 22490
188: ok 22491
188: ok 22492
188: ok 22493
188: ok 22494
188: ok 22495
188: ok 22496
188: ok 22497
188: ok 22498
188: ok 22499
188: ok 22500
188: ok 22501
188: ok 22502
188: ok 22503
188: ok 22504
188: ok 22505
188: ok 22506
188: ok 22507
188: ok 22508
188: ok 22509
188: ok 22510
188: ok 22511
188: ok 22512
188: ok 22513
188: ok 22514
188: ok 22515
188: ok 22516
188: ok 22517
188: ok 22518
188: ok 22519
188: ok 22520
188: ok 22521
188: ok 22522
188: ok 22523
188: ok 22524
188: ok 22525
188: ok 22526
188: ok 22527
188: ok 22528
188: ok 22529
188: ok 22530
188: ok 22531
188: ok 22532
188: ok 22533
188: ok 22534
188: ok 22535
188: ok 22536
188: ok 22537
188: ok 22538
188: ok 22539
188: ok 22540
188: ok 22541
188: ok 22542
188: ok 22543
188: ok 22544
188: ok 22545
188: ok 22546
188: ok 22547
188: ok 22548
188: ok 22549
188: ok 22550
188: ok 22551
188: ok 22552
188: ok 22553
188: ok 22554
188: ok 22555
188: ok 22556
188: ok 22557
188: ok 22558
188: ok 22559
188: ok 22560
188: ok 22561
188: ok 22562
188: ok 22563
188: ok 22564
188: ok 22565
188: ok 22566
188: ok 22567
188: ok 22568
188: ok 22569
188: ok 22570
188: ok 22571
188: ok 22572
188: ok 22573
188: ok 22574
188: ok 22575
188: ok 22576
188: ok 22577
188: ok 22578
188: ok 22579
188: ok 22580
188: ok 22581
188: ok 22582
188: ok 22583
188: ok 22584
188: ok 22585
188: ok 22586
188: ok 22587
188: ok 22588
188: ok 22589
188: ok 22590
188: ok 22591
188: ok 22592
188: ok 22593
188: ok 22594
188: ok 22595
188: ok 22596
188: ok 22597
188: ok 22598
188: ok 22599
188: ok 22600
188: ok 22601
188: ok 22602
188: ok 22603
188: ok 22604
188: ok 22605
188: ok 22606
188: ok 22607
188: ok 22608
188: ok 22609
188: ok 22610
188: ok 22611
188: ok 22612
188: ok 22613
188: ok 22614
188: ok 22615
188: ok 22616
188: ok 22617
188: ok 22618
188: ok 22619
188: ok 22620
188: ok 22621
188: ok 22622
188: ok 22623
188: ok 22624
188: ok 22625
188: ok 22626
188: ok 22627
188: ok 22628
188: ok 22629
188: ok 22630
188: ok 22631
188: ok 22632
188: ok 22633
188: ok 22634
188: ok 22635
188: ok 22636
188: ok 22637
188: ok 22638
188: ok 22639
188: ok 22640
188: ok 22641
188: ok 22642
188: ok 22643
188: ok 22644
188: ok 22645
188: ok 22646
188: ok 22647
188: ok 22648
188: ok 22649
188: ok 22650
188: ok 22651
188: ok 22652
188: ok 22653
188: ok 22654
188: ok 22655
188: ok 22656
188: ok 22657
188: ok 22658
188: ok 22659
188: ok 22660
188: ok 22661
188: ok 22662
188: ok 22663
188: ok 22664
188: ok 22665
188: ok 22666
188: ok 22667
188: ok 22668
188: ok 22669
188: ok 22670
188: ok 22671
188: ok 22672
188: ok 22673
188: ok 22674
188: ok 22675
188: ok 22676
188: ok 22677
188: ok 22678
188: ok 22679
188: ok 22680
188: ok 22681
188: ok 22682
188: ok 22683
188: ok 22684
188: ok 22685
188: ok 22686
188: ok 22687
188: ok 22688
188: ok 22689
188: ok 22690
188: ok 22691
188: ok 22692
188: ok 22693
188: ok 22694
188: ok 22695
188: ok 22696
188: ok 22697
188: ok 22698
188: ok 22699
188: ok 22700
188: ok 22701
188: ok 22702
188: ok 22703
188: ok 22704
188: ok 22705
188: ok 22706
188: ok 22707
188: ok 22708
188: ok 22709
188: ok 22710
188: ok 22711
188: ok 22712
188: ok 22713
188: ok 22714
188: ok 22715
188: ok 22716
188: ok 22717
188: ok 22718
188: ok 22719
188: ok 22720
188: ok 22721
188: ok 22722
188: ok 22723
188: ok 22724
188: ok 22725
188: ok 22726
188: ok 22727
188: ok 22728
188: ok 22729
188: ok 22730
188: ok 22731
188: ok 22732
188: ok 22733
188: ok 22734
188: ok 22735
188: ok 22736
188: ok 22737
188: ok 22738
188: ok 22739
188: ok 22740
188: ok 22741
188: ok 22742
188: ok 22743
188: ok 22744
188: ok 22745
188: ok 22746
188: ok 22747
188: ok 22748
188: ok 22749
188: ok 22750
188: ok 22751
188: ok 22752
188: ok 22753
188: ok 22754
188: ok 22755
188: ok 22756
188: ok 22757
188: ok 22758
188: ok 22759
188: ok 22760
188: ok 22761
188: ok 22762
188: ok 22763
188: ok 22764
188: ok 22765
188: ok 22766
188: ok 22767
188: ok 22768
188: ok 22769
188: ok 22770
188: ok 22771
188: ok 22772
188: ok 22773
188: ok 22774
188: ok 22775
188: ok 22776
188: ok 22777
188: ok 22778
188: ok 22779
188: ok 22780
188: ok 22781
188: ok 22782
188: ok 22783
188: ok 22784
188: ok 22785
188: ok 22786
188: ok 22787
188: ok 22788
188: ok 22789
188: ok 22790
188: ok 22791
188: ok 22792
188: ok 22793
188: ok 22794
188: ok 22795
188: ok 22796
188: ok 22797
188: ok 22798
188: ok 22799
188: ok 22800
188: ok 22801
188: ok 22802
188: ok 22803
188: ok 22804
188: ok 22805
188: ok 22806
188: ok 22807
188: ok 22808
188: ok 22809
188: ok 22810
188: ok 22811
188: ok 22812
188: ok 22813
188: ok 22814
188: ok 22815
188: ok 22816
188: ok 22817
188: ok 22818
188: ok 22819
188: ok 22820
188: ok 22821
188: ok 22822
188: ok 22823
188: ok 22824
188: ok 22825
188: ok 22826
188: ok 22827
188: ok 22828
188: ok 22829
188: ok 22830
188: ok 22831
188: ok 22832
188: ok 22833
188: ok 22834
188: ok 22835
188: ok 22836
188: ok 22837
188: ok 22838
188: ok 22839
188: ok 22840
188: ok 22841
188: ok 22842
188: ok 22843
188: ok 22844
188: ok 22845
188: ok 22846
188: ok 22847
188: ok 22848
188: ok 22849
188: ok 22850
188: ok 22851
188: ok 22852
188: ok 22853
188: ok 22854
188: ok 22855
188: ok 22856
188: ok 22857
188: ok 22858
188: ok 22859
188: ok 22860
188: ok 22861
188: ok 22862
188: ok 22863
188: ok 22864
188: ok 22865
188: ok 22866
188: ok 22867
188: ok 22868
188: ok 22869
188: ok 22870
188: ok 22871
188: ok 22872
188: ok 22873
188: ok 22874
188: ok 22875
188: ok 22876
188: ok 22877
188: ok 22878
188: ok 22879
188: ok 22880
188: ok 22881
188: ok 22882
188: ok 22883
188: ok 22884
188: ok 22885
188: ok 22886
188: ok 22887
188: ok 22888
188: ok 22889
188: ok 22890
188: ok 22891
188: ok 22892
188: ok 22893
188: ok 22894
188: ok 22895
188: ok 22896
188: ok 22897
188: ok 22898
188: ok 22899
188: ok 22900
188: ok 22901
188: ok 22902
188: ok 22903
188: ok 22904
188: ok 22905
188: ok 22906
188: ok 22907
188: ok 22908
188: ok 22909
188: ok 22910
188: ok 22911
188: ok 22912
188: ok 22913
188: ok 22914
188: ok 22915
188: ok 22916
188: ok 22917
188: ok 22918
188: ok 22919
188: ok 22920
188: ok 22921
188: ok 22922
188: ok 22923
188: ok 22924
188: ok 22925
188: ok 22926
188: ok 22927
188: ok 22928
188: ok 22929
188: ok 22930
188: ok 22931
188: ok 22932
188: ok 22933
188: ok 22934
188: ok 22935
188: ok 22936
188: ok 22937
188: ok 22938
188: ok 22939
188: ok 22940
188: ok 22941
188: ok 22942
188: ok 22943
188: ok 22944
188: ok 22945
188: ok 22946
188: ok 22947
188: ok 22948
188: ok 22949
188: ok 22950
188: ok 22951
188: ok 22952
188: ok 22953
188: ok 22954
188: ok 22955
188: ok 22956
188: ok 22957
188: ok 22958
188: ok 22959
188: ok 22960
188: ok 22961
188: ok 22962
188: ok 22963
188: ok 22964
188: ok 22965
188: ok 22966
188: ok 22967
188: ok 22968
188: ok 22969
188: ok 22970
188: ok 22971
188: ok 22972
188: ok 22973
188: ok 22974
188: ok 22975
188: ok 22976
188: ok 22977
188: ok 22978
188: ok 22979
188: ok 22980
188: ok 22981
188: ok 22982
188: ok 22983
188: ok 22984
188: ok 22985
188: ok 22986
188: ok 22987
188: ok 22988
188: ok 22989
188: ok 22990
188: ok 22991
188: ok 22992
188: ok 22993
188: ok 22994
188: ok 22995
188: ok 22996
188: ok 22997
188: ok 22998
188: ok 22999
188: ok 23000
188: ok 23001
188: ok 23002
188: ok 23003
188: ok 23004
188: ok 23005
188: ok 23006
188: ok 23007
188: ok 23008
188: ok 23009
188: ok 23010
188: ok 23011
188: ok 23012
188: ok 23013
188: ok 23014
188: ok 23015
188: ok 23016
188: ok 23017
188: ok 23018
188: ok 23019
188: ok 23020
188: ok 23021
188: ok 23022
188: ok 23023
188: ok 23024
188: ok 23025
188: ok 23026
188: ok 23027
188: ok 23028
188: ok 23029
188: ok 23030
188: ok 23031
188: ok 23032
188: ok 23033
188: ok 23034
188: ok 23035
188: ok 23036
188: ok 23037
188: ok 23038
188: ok 23039
188: ok 23040
188: ok 23041
188: ok 23042
188: ok 23043
188: ok 23044
188: ok 23045
188: ok 23046
188: ok 23047
188: ok 23048
188: ok 23049
188: ok 23050
188: ok 23051
188: ok 23052
188: ok 23053
188: ok 23054
188: ok 23055
188: ok 23056
188: ok 23057
188: ok 23058
188: ok 23059
188: ok 23060
188: ok 23061
188: ok 23062
188: ok 23063
188: ok 23064
188: ok 23065
188: ok 23066
188: ok 23067
188: ok 23068
188: ok 23069
188: ok 23070
188: ok 23071
188: ok 23072
188: ok 23073
188: ok 23074
188: ok 23075
188: ok 23076
188: ok 23077
188: ok 23078
188: ok 23079
188: ok 23080
188: ok 23081
188: ok 23082
188: ok 23083
188: ok 23084
188: ok 23085
188: ok 23086
188: ok 23087
188: ok 23088
188: ok 23089
188: ok 23090
188: ok 23091
188: ok 23092
188: ok 23093
188: ok 23094
188: ok 23095
188: ok 23096
188: ok 23097
188: ok 23098
188: ok 23099
188: ok 23100
188: ok 23101
188: ok 23102
188: ok 23103
188: ok 23104
188: ok 23105
188: ok 23106
188: ok 23107
188: ok 23108
188: ok 23109
188: ok 23110
188: ok 23111
188: ok 23112
188: ok 23113
188: ok 23114
188: ok 23115
188: ok 23116
188: ok 23117
188: ok 23118
188: ok 23119
188: ok 23120
188: ok 23121
188: ok 23122
188: ok 23123
188: ok 23124
188: ok 23125
188: ok 23126
188: ok 23127
188: ok 23128
188: ok 23129
188: ok 23130
188: ok 23131
188: ok 23132
188: ok 23133
188: ok 23134
188: ok 23135
188: ok 23136
188: ok 23137
188: ok 23138
188: ok 23139
188: ok 23140
188: ok 23141
188: ok 23142
188: ok 23143
188: ok 23144
188: ok 23145
188: ok 23146
188: ok 23147
188: ok 23148
188: ok 23149
188: ok 23150
188: ok 23151
188: ok 23152
188: ok 23153
188: ok 23154
188: ok 23155
188: ok 23156
188: ok 23157
188: ok 23158
188: ok 23159
188: ok 23160
188: ok 23161
188: ok 23162
188: ok 23163
188: ok 23164
188: ok 23165
188: ok 23166
188: ok 23167
188: ok 23168
188: ok 23169
188: ok 23170
188: ok 23171
188: ok 23172
188: ok 23173
188: ok 23174
188: ok 23175
188: ok 23176
188: ok 23177
188: ok 23178
188: ok 23179
188: ok 23180
188: ok 23181
188: ok 23182
188: ok 23183
188: ok 23184
188: ok 23185
188: ok 23186
188: ok 23187
188: ok 23188
188: ok 23189
188: ok 23190
188: ok 23191
188: ok 23192
188: ok 23193
188: ok 23194
188: ok 23195
188: ok 23196
188: ok 23197
188: ok 23198
188: ok 23199
188: ok 23200
188: ok 23201
188: ok 23202
188: ok 23203
188: ok 23204
188: ok 23205
188: ok 23206
188: ok 23207
188: ok 23208
188: ok 23209
188: ok 23210
188: ok 23211
188: ok 23212
188: ok 23213
188: ok 23214
188: ok 23215
188: ok 23216
188: ok 23217
188: ok 23218
188: ok 23219
188: ok 23220
188: ok 23221
188: ok 23222
188: ok 23223
188: ok 23224
188: ok 23225
188: ok 23226
188: ok 23227
188: ok 23228
188: ok 23229
188: ok 23230
188: ok 23231
188: ok 23232
188: ok 23233
188: ok 23234
188: ok 23235
188: ok 23236
188: ok 23237
188: ok 23238
188: ok 23239
188: ok 23240
188: ok 23241
188: ok 23242
188: ok 23243
188: ok 23244
188: ok 23245
188: ok 23246
188: ok 23247
188: ok 23248
188: ok 23249
188: ok 23250
188: ok 23251
188: ok 23252
188: ok 23253
188: ok 23254
188: ok 23255
188: ok 23256
188: ok 23257
188: ok 23258
188: ok 23259
188: ok 23260
188: ok 23261
188: ok 23262
188: ok 23263
188: ok 23264
188: ok 23265
188: ok 23266
188: ok 23267
188: ok 23268
188: ok 23269
188: ok 23270
188: ok 23271
188: ok 23272
188: ok 23273
188: ok 23274
188: ok 23275
188: ok 23276
188: ok 23277
188: ok 23278
188: ok 23279
188: ok 23280
188: ok 23281
188: ok 23282
188: ok 23283
188: ok 23284
188: ok 23285
188: ok 23286
188: ok 23287
188: ok 23288
188: ok 23289
188: ok 23290
188: ok 23291
188: ok 23292
188: ok 23293
188: ok 23294
188: ok 23295
188: ok 23296
188: ok 23297
188: ok 23298
188: ok 23299
188: ok 23300
188: ok 23301
188: ok 23302
188: ok 23303
188: ok 23304
188: ok 23305
188: ok 23306
188: ok 23307
188: ok 23308
188: ok 23309
188: ok 23310
188: ok 23311
188: ok 23312
188: ok 23313
188: ok 23314
188: ok 23315
188: ok 23316
188: ok 23317
188: ok 23318
188: ok 23319
188: ok 23320
188: ok 23321
188: ok 23322
188: ok 23323
188: ok 23324
188: ok 23325
188: ok 23326
188: ok 23327
188: ok 23328
188: ok 23329
188: ok 23330
188: ok 23331
188: ok 23332
188: ok 23333
188: ok 23334
188: ok 23335
188: ok 23336
188: ok 23337
188: ok 23338
188: ok 23339
188: ok 23340
188: ok 23341
188: ok 23342
188: ok 23343
188: ok 23344
188: ok 23345
188: ok 23346
188: ok 23347
188: ok 23348
188: ok 23349
188: ok 23350
188: ok 23351
188: ok 23352
188: ok 23353
188: ok 23354
188: ok 23355
188: ok 23356
188: ok 23357
188: ok 23358
188: ok 23359
188: ok 23360
188: ok 23361
188: ok 23362
188: ok 23363
188: ok 23364
188: ok 23365
188: ok 23366
188: ok 23367
188: ok 23368
188: ok 23369
188: ok 23370
188: ok 23371
188: ok 23372
188: ok 23373
188: ok 23374
188: ok 23375
188: ok 23376
188: ok 23377
188: ok 23378
188: ok 23379
188: ok 23380
188: ok 23381
188: ok 23382
188: ok 23383
188: ok 23384
188: ok 23385
188: ok 23386
188: ok 23387
188: ok 23388
188: ok 23389
188: ok 23390
188: ok 23391
188: ok 23392
188: ok 23393
188: ok 23394
188: ok 23395
188: ok 23396
188: ok 23397
188: ok 23398
188: ok 23399
188: ok 23400
188: ok 23401
188: ok 23402
188: ok 23403
188: ok 23404
188: ok 23405
188: ok 23406
188: ok 23407
188: ok 23408
188: ok 23409
188: ok 23410
188: ok 23411
188: ok 23412
188: ok 23413
188: ok 23414
188: ok 23415
188: ok 23416
188: ok 23417
188: ok 23418
188: ok 23419
188: ok 23420
188: ok 23421
188: ok 23422
188: ok 23423
188: ok 23424
188: ok 23425
188: ok 23426
188: ok 23427
188: ok 23428
188: ok 23429
188: ok 23430
188: ok 23431
188: ok 23432
188: ok 23433
188: ok 23434
188: ok 23435
188: ok 23436
188: ok 23437
188: ok 23438
188: ok 23439
188: ok 23440
188: ok 23441
188: ok 23442
188: ok 23443
188: ok 23444
188: ok 23445
188: ok 23446
188: ok 23447
188: ok 23448
188: ok 23449
188: ok 23450
188: ok 23451
188: ok 23452
188: ok 23453
188: ok 23454
188: ok 23455
188: ok 23456
188: ok 23457
188: ok 23458
188: ok 23459
188: ok 23460
188: ok 23461
188: ok 23462
188: ok 23463
188: ok 23464
188: ok 23465
188: ok 23466
188: ok 23467
188: ok 23468
188: ok 23469
188: ok 23470
188: ok 23471
188: ok 23472
188: ok 23473
188: ok 23474
188: ok 23475
188: ok 23476
188: ok 23477
188: ok 23478
188: ok 23479
188: ok 23480
188: ok 23481
188: ok 23482
188: ok 23483
188: ok 23484
188: ok 23485
188: ok 23486
188: ok 23487
188: ok 23488
188: ok 23489
188: ok 23490
188: ok 23491
188: ok 23492
188: ok 23493
188: ok 23494
188: ok 23495
188: ok 23496
188: ok 23497
188: ok 23498
188: ok 23499
188: ok 23500
188: ok 23501
188: ok 23502
188: ok 23503
188: ok 23504
188: ok 23505
188: ok 23506
188: ok 23507
188: ok 23508
188: ok 23509
188: ok 23510
188: ok 23511
188: ok 23512
188: ok 23513
188: ok 23514
188: ok 23515
188: ok 23516
188: ok 23517
188: ok 23518
188: ok 23519
188: ok 23520
188: ok 23521
188: ok 23522
188: ok 23523
188: ok 23524
188: ok 23525
188: ok 23526
188: ok 23527
188: ok 23528
188: ok 23529
188: ok 23530
188: ok 23531
188: ok 23532
188: ok 23533
188: ok 23534
188: ok 23535
188: ok 23536
188: ok 23537
188: ok 23538
188: ok 23539
188: ok 23540
188: ok 23541
188: ok 23542
188: ok 23543
188: ok 23544
188: ok 23545
188: ok 23546
188: ok 23547
188: ok 23548
188: ok 23549
188: ok 23550
188: ok 23551
188: ok 23552
188: ok 23553
188: ok 23554
188: ok 23555
188: ok 23556
188: ok 23557
188: ok 23558
188: ok 23559
188: ok 23560
188: ok 23561
188: ok 23562
188: ok 23563
188: ok 23564
188: ok 23565
188: ok 23566
188: ok 23567
188: ok 23568
188: ok 23569
188: ok 23570
188: ok 23571
188: ok 23572
188: ok 23573
188: ok 23574
188: ok 23575
188: ok 23576
188: ok 23577
188: ok 23578
188: ok 23579
188: ok 23580
188: ok 23581
188: ok 23582
188: ok 23583
188: ok 23584
188: ok 23585
188: ok 23586
188: ok 23587
188: ok 23588
188: ok 23589
188: ok 23590
188: ok 23591
188: ok 23592
188: ok 23593
188: ok 23594
188: ok 23595
188: ok 23596
188: ok 23597
188: ok 23598
188: ok 23599
188: ok 23600
188: ok 23601
188: ok 23602
188: ok 23603
188: ok 23604
188: ok 23605
188: ok 23606
188: ok 23607
188: ok 23608
188: ok 23609
188: ok 23610
188: ok 23611
188: ok 23612
188: ok 23613
188: ok 23614
188: ok 23615
188: ok 23616
188: ok 23617
188: ok 23618
188: ok 23619
188: ok 23620
188: ok 23621
188: ok 23622
188: ok 23623
188: ok 23624
188: ok 23625
188: ok 23626
188: ok 23627
188: ok 23628
188: ok 23629
188: ok 23630
188: ok 23631
188: ok 23632
188: ok 23633
188: ok 23634
188: ok 23635
188: ok 23636
188: ok 23637
188: ok 23638
188: ok 23639
188: ok 23640
188: ok 23641
188: ok 23642
188: ok 23643
188: ok 23644
188: ok 23645
188: ok 23646
188: ok 23647
188: ok 23648
188: ok 23649
188: ok 23650
188: ok 23651
188: ok 23652
188: ok 23653
188: ok 23654
188: ok 23655
188: ok 23656
188: ok 23657
188: ok 23658
188: ok 23659
188: ok 23660
188: ok 23661
188: ok 23662
188: ok 23663
188: ok 23664
188: ok 23665
188: ok 23666
188: ok 23667
188: ok 23668
188: ok 23669
188: ok 23670
188: ok 23671
188: ok 23672
188: ok 23673
188: ok 23674
188: ok 23675
188: ok 23676
188: ok 23677
188: ok 23678
188: ok 23679
188: ok 23680
188: ok 23681
188: ok 23682
188: ok 23683
188: ok 23684
188: ok 23685
188: ok 23686
188: ok 23687
188: ok 23688
188: ok 23689
188: ok 23690
188: ok 23691
188: ok 23692
188: ok 23693
188: ok 23694
188: ok 23695
188: ok 23696
188: ok 23697
188: ok 23698
188: ok 23699
188: ok 23700
188: ok 23701
188: ok 23702
188: ok 23703
188: ok 23704
188: ok 23705
188: ok 23706
188: ok 23707
188: ok 23708
188: ok 23709
188: ok 23710
188: ok 23711
188: ok 23712
188: ok 23713
188: ok 23714
188: ok 23715
188: ok 23716
188: ok 23717
188: ok 23718
188: ok 23719
188: ok 23720
188: ok 23721
188: ok 23722
188: ok 23723
188: ok 23724
188: ok 23725
188: ok 23726
188: ok 23727
188: ok 23728
188: ok 23729
188: ok 23730
188: ok 23731
188: ok 23732
188: ok 23733
188: ok 23734
188: ok 23735
188: ok 23736
188: ok 23737
188: ok 23738
188: ok 23739
188: ok 23740
188: ok 23741
188: ok 23742
188: ok 23743
188: ok 23744
188: ok 23745
188: ok 23746
188: ok 23747
188: ok 23748
188: ok 23749
188: ok 23750
188: ok 23751
188: ok 23752
188: ok 23753
188: ok 23754
188: ok 23755
188: ok 23756
188: ok 23757
188: ok 23758
188: ok 23759
188: ok 23760
188: ok 23761
188: ok 23762
188: ok 23763
188: ok 23764
188: ok 23765
188: ok 23766
188: ok 23767
188: ok 23768
188: ok 23769
188: ok 23770
188: ok 23771
188: ok 23772
188: ok 23773
188: ok 23774
188: ok 23775
188: ok 23776
188: ok 23777
188: ok 23778
188: ok 23779
188: ok 23780
188: ok 23781
188: ok 23782
188: ok 23783
188: ok 23784
188: ok 23785
188: ok 23786
188: ok 23787
188: ok 23788
188: ok 23789
188: ok 23790
188: ok 23791
188: ok 23792
188: ok 23793
188: ok 23794
188: ok 23795
188: ok 23796
188: ok 23797
188: ok 23798
188: ok 23799
188: ok 23800
188: ok 23801
188: ok 23802
188: ok 23803
188: ok 23804
188: ok 23805
188: ok 23806
188: ok 23807
188: ok 23808
188: ok 23809
188: ok 23810
188: ok 23811
188: ok 23812
188: ok 23813
188: ok 23814
188: ok 23815
188: ok 23816
188: ok 23817
188: ok 23818
188: ok 23819
188: ok 23820
188: ok 23821
188: ok 23822
188: ok 23823
188: ok 23824
188: ok 23825
188: ok 23826
188: ok 23827
188: ok 23828
188: ok 23829
188: ok 23830
188: ok 23831
188: ok 23832
188: ok 23833
188: ok 23834
188: ok 23835
188: ok 23836
188: ok 23837
188: ok 23838
188: ok 23839
188: ok 23840
188: ok 23841
188: ok 23842
188: ok 23843
188: ok 23844
188: ok 23845
188: ok 23846
188: ok 23847
188: ok 23848
188: ok 23849
188: ok 23850
188: ok 23851
188: ok 23852
188: ok 23853
188: ok 23854
188: ok 23855
188: ok 23856
188: ok 23857
188: ok 23858
188: ok 23859
188: ok 23860
188: ok 23861
188: ok 23862
188: ok 23863
188: ok 23864
188: ok 23865
188: ok 23866
188: ok 23867
188: ok 23868
188: ok 23869
188: ok 23870
188: ok 23871
188: ok 23872
188: ok 23873
188: ok 23874
188: ok 23875
188: ok 23876
188: ok 23877
188: ok 23878
188: ok 23879
188: ok 23880
188: ok 23881
188: ok 23882
188: ok 23883
188: ok 23884
188: ok 23885
188: ok 23886
188: ok 23887
188: ok 23888
188: ok 23889
188: ok 23890
188: ok 23891
188: ok 23892
188: ok 23893
188: ok 23894
188: ok 23895
188: ok 23896
188: ok 23897
188: ok 23898
188: ok 23899
188: ok 23900
188: ok 23901
188: ok 23902
188: ok 23903
188: ok 23904
188: ok 23905
188: ok 23906
188: ok 23907
188: ok 23908
188: ok 23909
188: ok 23910
188: ok 23911
188: ok 23912
188: ok 23913
188: ok 23914
188: ok 23915
188: ok 23916
188: ok 23917
188: ok 23918
188: ok 23919
188: ok 23920
188: ok 23921
188: ok 23922
188: ok 23923
188: ok 23924
188: ok 23925
188: ok 23926
188: ok 23927
188: ok 23928
188: ok 23929
188: ok 23930
188: ok 23931
188: ok 23932
188: ok 23933
188: ok 23934
188: ok 23935
188: ok 23936
188: ok 23937
188: ok 23938
188: ok 23939
188: ok 23940
188: ok 23941
188: ok 23942
188: ok 23943
188: ok 23944
188: ok 23945
188: ok 23946
188: ok 23947
188: ok 23948
188: ok 23949
188: ok 23950
188: ok 23951
188: ok 23952
188: ok 23953
188: ok 23954
188: ok 23955
188: ok 23956
188: ok 23957
188: ok 23958
188: ok 23959
188: ok 23960
188: ok 23961
188: ok 23962
188: ok 23963
188: ok 23964
188: ok 23965
188: ok 23966
188: ok 23967
188: ok 23968
188: ok 23969
188: ok 23970
188: ok 23971
188: ok 23972
188: ok 23973
188: ok 23974
188: ok 23975
188: ok 23976
188: ok 23977
188: ok 23978
188: ok 23979
188: ok 23980
188: ok 23981
188: ok 23982
188: ok 23983
188: ok 23984
188: ok 23985
188: ok 23986
188: ok 23987
188: ok 23988
188: ok 23989
188: ok 23990
188: ok 23991
188: ok 23992
188: ok 23993
188: ok 23994
188: ok 23995
188: ok 23996
188: ok 23997
188: ok 23998
188: ok 23999
188: ok 24000
188: ok 24001
188: ok 24002
188: ok 24003
188: ok 24004
188: ok 24005
188: ok 24006
188: ok 24007
188: ok 24008
188: ok 24009
188: ok 24010
188: ok 24011
188: ok 24012
188: ok 24013
188: ok 24014
188: ok 24015
188: ok 24016
188: ok 24017
188: ok 24018
188: ok 24019
188: ok 24020
188: ok 24021
188: ok 24022
188: ok 24023
188: ok 24024
188: ok 24025
188: ok 24026
188: ok 24027
188: ok 24028
188: ok 24029
188: ok 24030
188: ok 24031
188: ok 24032
188: ok 24033
188: ok 24034
188: ok 24035
188: ok 24036
188: ok 24037
188: ok 24038
188: ok 24039
188: ok 24040
188: ok 24041
188: ok 24042
188: ok 24043
188: ok 24044
188: ok 24045
188: ok 24046
188: ok 24047
188: ok 24048
188: ok 24049
188: ok 24050
188: ok 24051
188: ok 24052
188: ok 24053
188: ok 24054
188: ok 24055
188: ok 24056
188: ok 24057
188: ok 24058
188: ok 24059
188: ok 24060
188: ok 24061
188: ok 24062
188: ok 24063
188: ok 24064
188: ok 24065
188: ok 24066
188: ok 24067
188: ok 24068
188: ok 24069
188: ok 24070
188: ok 24071
188: ok 24072
188: ok 24073
188: ok 24074
188: ok 24075
188: ok 24076
188: ok 24077
188: ok 24078
188: ok 24079
188: ok 24080
188: ok 24081
188: ok 24082
188: ok 24083
188: ok 24084
188: ok 24085
188: ok 24086
188: ok 24087
188: ok 24088
188: ok 24089
188: ok 24090
188: ok 24091
188: ok 24092
188: ok 24093
188: ok 24094
188: ok 24095
188: ok 24096
188: ok 24097
188: ok 24098
188: ok 24099
188: ok 24100
188: ok 24101
188: ok 24102
188: ok 24103
188: ok 24104
188: ok 24105
188: ok 24106
188: ok 24107
188: ok 24108
188: ok 24109
188: ok 24110
188: ok 24111
188: ok 24112
188: ok 24113
188: ok 24114
188: ok 24115
188: ok 24116
188: ok 24117
188: ok 24118
188: ok 24119
188: ok 24120
188: ok 24121
188: ok 24122
188: ok 24123
188: ok 24124
188: ok 24125
188: ok 24126
188: ok 24127
188: ok 24128
188: ok 24129
188: ok 24130
188: ok 24131
188: ok 24132
188: ok 24133
188: ok 24134
188: ok 24135
188: ok 24136
188: ok 24137
188: ok 24138
188: ok 24139
188: ok 24140
188: ok 24141
188: ok 24142
188: ok 24143
188: ok 24144
188: ok 24145
188: ok 24146
188: ok 24147
188: ok 24148
188: ok 24149
188: ok 24150
188: ok 24151
188: ok 24152
188: ok 24153
188: ok 24154
188: ok 24155
188: ok 24156
188: ok 24157
188: ok 24158
188: ok 24159
188: ok 24160
188: ok 24161
188: ok 24162
188: ok 24163
188: ok 24164
188: ok 24165
188: ok 24166
188: ok 24167
188: ok 24168
188: ok 24169
188: ok 24170
188: ok 24171
188: ok 24172
188: ok 24173
188: ok 24174
188: ok 24175
188: ok 24176
188: ok 24177
188: ok 24178
188: ok 24179
188: ok 24180
188: ok 24181
188: ok 24182
188: ok 24183
188: ok 24184
188: ok 24185
188: ok 24186
188: ok 24187
188: ok 24188
188: ok 24189
188: ok 24190
188: ok 24191
188: ok 24192
188: ok 24193
188: ok 24194
188: ok 24195
188: ok 24196
188: ok 24197
188: ok 24198
188: ok 24199
188: ok 24200
188: ok 24201
188: ok 24202
188: ok 24203
188: ok 24204
188: ok 24205
188: ok 24206
188: ok 24207
188: ok 24208
188: ok 24209
188: ok 24210
188: ok 24211
188: ok 24212
188: ok 24213
188: ok 24214
188: ok 24215
188: ok 24216
188: ok 24217
188: ok 24218
188: ok 24219
188: ok 24220
188: ok 24221
188: ok 24222
188: ok 24223
188: ok 24224
188: ok 24225
188: ok 24226
188: ok 24227
188: ok 24228
188: ok 24229
188: ok 24230
188: ok 24231
188: ok 24232
188: ok 24233
188: ok 24234
188: ok 24235
188: ok 24236
188: ok 24237
188: ok 24238
188: ok 24239
188: ok 24240
188: ok 24241
188: ok 24242
188: ok 24243
188: ok 24244
188: ok 24245
188: ok 24246
188: ok 24247
188: ok 24248
188: ok 24249
188: ok 24250
188: ok 24251
188: ok 24252
188: ok 24253
188: ok 24254
188: ok 24255
188: ok 24256
188: ok 24257
188: ok 24258
188: ok 24259
188: ok 24260
188: ok 24261
188: ok 24262
188: ok 24263
188: ok 24264
188: ok 24265
188: ok 24266
188: ok 24267
188: ok 24268
188: ok 24269
188: ok 24270
188: ok 24271
188: ok 24272
188: ok 24273
188: ok 24274
188: ok 24275
188: ok 24276
188: ok 24277
188: ok 24278
188: ok 24279
188: ok 24280
188: ok 24281
188: ok 24282
188: ok 24283
188: ok 24284
188: ok 24285
188: ok 24286
188: ok 24287
188: ok 24288
188: ok 24289
188: ok 24290
188: ok 24291
188: ok 24292
188: ok 24293
188: ok 24294
188: ok 24295
188: ok 24296
188: ok 24297
188: ok 24298
188: ok 24299
188: ok 24300
188: ok 24301
188: ok 24302
188: ok 24303
188: ok 24304
188: ok 24305
188: ok 24306
188: ok 24307
188: ok 24308
188: ok 24309
188: ok 24310
188: ok 24311
188: ok 24312
188: ok 24313
188: ok 24314
188: ok 24315
188: ok 24316
188: ok 24317
188: ok 24318
188: ok 24319
188: ok 24320
188: ok 24321
188: ok 24322
188: ok 24323
188: ok 24324
188: ok 24325
188: ok 24326
188: ok 24327
188: ok 24328
188: ok 24329
188: ok 24330
188: ok 24331
188: ok 24332
188: ok 24333
188: ok 24334
188: ok 24335
188: ok 24336
188: ok 24337
188: ok 24338
188: ok 24339
188: ok 24340
188: ok 24341
188: ok 24342
188: ok 24343
188: ok 24344
188: ok 24345
188: ok 24346
188: ok 24347
188: ok 24348
188: ok 24349
188: ok 24350
188: ok 24351
188: ok 24352
188: ok 24353
188: ok 24354
188: ok 24355
188: ok 24356
188: ok 24357
188: ok 24358
188: ok 24359
188: ok 24360
188: ok 24361
188: ok 24362
188: ok 24363
188: ok 24364
188: ok 24365
188: ok 24366
188: ok 24367
188: ok 24368
188: ok 24369
188: ok 24370
188: ok 24371
188: ok 24372
188: ok 24373
188: ok 24374
188: ok 24375
188: ok 24376
188: ok 24377
188: ok 24378
188: ok 24379
188: ok 24380
188: ok 24381
188: ok 24382
188: ok 24383
188: ok 24384
188: ok 24385
188: ok 24386
188: ok 24387
188: ok 24388
188: ok 24389
188: ok 24390
188: ok 24391
188: ok 24392
188: ok 24393
188: ok 24394
188: ok 24395
188: ok 24396
188: ok 24397
188: ok 24398
188: ok 24399
188: ok 24400
188: ok 24401
188: ok 24402
188: ok 24403
188: ok 24404
188: ok 24405
188: ok 24406
188: ok 24407
188: ok 24408
188: ok 24409
188: ok 24410
188: ok 24411
188: ok 24412
188: ok 24413
188: ok 24414
188: ok 24415
188: ok 24416
188: ok 24417
188: ok 24418
188: ok 24419
188: ok 24420
188: ok 24421
188: ok 24422
188: ok 24423
188: ok 24424
188: ok 24425
188: ok 24426
188: ok 24427
188: ok 24428
188: ok 24429
188: ok 24430
188: ok 24431
188: ok 24432
188: ok 24433
188: ok 24434
188: ok 24435
188: ok 24436
188: ok 24437
188: ok 24438
188: ok 24439
188: ok 24440
188: ok 24441
188: ok 24442
188: ok 24443
188: ok 24444
188: ok 24445
188: ok 24446
188: ok 24447
188: ok 24448
188: ok 24449
188: ok 24450
188: ok 24451
188: ok 24452
188: ok 24453
188: ok 24454
188: ok 24455
188: ok 24456
188: ok 24457
188: ok 24458
188: ok 24459
188: ok 24460
188: ok 24461
188: ok 24462
188: ok 24463
188: ok 24464
188: ok 24465
188: ok 24466
188: ok 24467
188: ok 24468
188: ok 24469
188: ok 24470
188: ok 24471
188: ok 24472
188: ok 24473
188: ok 24474
188: ok 24475
188: ok 24476
188: ok 24477
188: ok 24478
188: ok 24479
188: ok 24480
188: ok 24481
188: ok 24482
188: ok 24483
188: ok 24484
188: ok 24485
188: ok 24486
188: ok 24487
188: ok 24488
188: ok 24489
188: ok 24490
188: ok 24491
188: ok 24492
188: ok 24493
188: ok 24494
188: ok 24495
188: ok 24496
188: ok 24497
188: ok 24498
188: ok 24499
188: ok 24500
188: ok 24501
188: ok 24502
188: ok 24503
188: ok 24504
188: ok 24505
188: ok 24506
188: ok 24507
188: ok 24508
188: ok 24509
188: ok 24510
188: ok 24511
188: ok 24512
188: ok 24513
188: ok 24514
188: ok 24515
188: ok 24516
188: ok 24517
188: ok 24518
188: ok 24519
188: ok 24520
188: ok 24521
188: ok 24522
188: ok 24523
188: ok 24524
188: ok 24525
188: ok 24526
188: ok 24527
188: ok 24528
188: ok 24529
188: ok 24530
188: ok 24531
188: ok 24532
188: ok 24533
188: ok 24534
188: ok 24535
188: ok 24536
188: ok 24537
188: ok 24538
188: ok 24539
188: ok 24540
188: ok 24541
188: ok 24542
188: ok 24543
188: ok 24544
188: ok 24545
188: ok 24546
188: ok 24547
188: ok 24548
188: ok 24549
188: ok 24550
188: ok 24551
188: ok 24552
188: ok 24553
188: ok 24554
188: ok 24555
188: ok 24556
188: ok 24557
188: ok 24558
188: ok 24559
188: ok 24560
188: ok 24561
188: ok 24562
188: ok 24563
188: ok 24564
188: ok 24565
188: ok 24566
188: ok 24567
188: ok 24568
188: ok 24569
188: ok 24570
188: ok 24571
188: ok 24572
188: ok 24573
188: ok 24574
188: ok 24575
188: ok 24576
188: ok 24577
188: ok 24578
188: ok 24579
188: ok 24580
188: ok 24581
188: ok 24582
188: ok 24583
188: ok 24584
188: ok 24585
188: ok 24586
188: ok 24587
188: ok 24588
188: ok 24589
188: ok 24590
188: ok 24591
188: ok 24592
188: ok 24593
188: ok 24594
188: ok 24595
188: ok 24596
188: ok 24597
188: ok 24598
188: ok 24599
188: ok 24600
188: ok 24601
188: ok 24602
188: ok 24603
188: ok 24604
188: ok 24605
188: ok 24606
188: ok 24607
188: ok 24608
188: ok 24609
188: ok 24610
188: ok 24611
188: ok 24612
188: ok 24613
188: ok 24614
188: ok 24615
188: ok 24616
188: ok 24617
188: ok 24618
188: ok 24619
188: ok 24620
188: ok 24621
188: ok 24622
188: ok 24623
188: ok 24624
188: ok 24625
188: ok 24626
188: ok 24627
188: ok 24628
188: ok 24629
188: ok 24630
188: ok 24631
188: ok 24632
188: ok 24633
188: ok 24634
188: ok 24635
188: ok 24636
188: ok 24637
188: ok 24638
188: ok 24639
188: ok 24640
188: ok 24641
188: ok 24642
188: ok 24643
188: ok 24644
188: ok 24645
188: ok 24646
188: ok 24647
188: ok 24648
188: ok 24649
188: ok 24650
188: ok 24651
188: ok 24652
188: ok 24653
188: ok 24654
188: ok 24655
188: ok 24656
188: ok 24657
188: ok 24658
188: ok 24659
188: ok 24660
188: ok 24661
188: ok 24662
188: ok 24663
188: ok 24664
188: ok 24665
188: ok 24666
188: ok 24667
188: ok 24668
188: ok 24669
188: ok 24670
188: ok 24671
188: ok 24672
188: ok 24673
188: ok 24674
188: ok 24675
188: ok 24676
188: ok 24677
188: ok 24678
188: ok 24679
188: ok 24680
188: ok 24681
188: ok 24682
188: ok 24683
188: ok 24684
188: ok 24685
188: ok 24686
188: ok 24687
188: ok 24688
188: ok 24689
188: ok 24690
188: ok 24691
188: ok 24692
188: ok 24693
188: ok 24694
188: ok 24695
188: ok 24696
188: ok 24697
188: ok 24698
188: ok 24699
188: ok 24700
188: ok 24701
188: ok 24702
188: ok 24703
188: ok 24704
188: ok 24705
188: ok 24706
188: ok 24707
188: ok 24708
188: ok 24709
188: ok 24710
188: ok 24711
188: ok 24712
188: ok 24713
188: ok 24714
188: ok 24715
188: ok 24716
188: ok 24717
188: ok 24718
188: ok 24719
188: ok 24720
188: ok 24721
188: ok 24722
188: ok 24723
188: ok 24724
188: ok 24725
188: ok 24726
188: ok 24727
188: ok 24728
188: ok 24729
188: ok 24730
188: ok 24731
188: ok 24732
188: ok 24733
188: ok 24734
188: ok 24735
188: ok 24736
188: ok 24737
188: ok 24738
188: ok 24739
188: ok 24740
188: ok 24741
188: ok 24742
188: ok 24743
188: ok 24744
188: ok 24745
188: ok 24746
188: ok 24747
188: ok 24748
188: ok 24749
188: ok 24750
188: ok 24751
188: ok 24752
188: ok 24753
188: ok 24754
188: ok 24755
188: ok 24756
188: ok 24757
188: ok 24758
188: ok 24759
188: ok 24760
188: ok 24761
188: ok 24762
188: ok 24763
188: ok 24764
188: ok 24765
188: ok 24766
188: ok 24767
188: ok 24768
188: ok 24769
188: ok 24770
188: ok 24771
188: ok 24772
188: ok 24773
188: ok 24774
188: ok 24775
188: ok 24776
188: ok 24777
188: ok 24778
188: ok 24779
188: ok 24780
188: ok 24781
188: ok 24782
188: ok 24783
188: ok 24784
188: ok 24785
188: ok 24786
188: ok 24787
188: ok 24788
188: ok 24789
188: ok 24790
188: ok 24791
188: ok 24792
188: ok 24793
188: ok 24794
188: ok 24795
188: ok 24796
188: ok 24797
188: ok 24798
188: ok 24799
188: ok 24800
188: ok 24801
188: ok 24802
188: ok 24803
188: ok 24804
188: ok 24805
188: ok 24806
188: ok 24807
188: ok 24808
188: ok 24809
188: ok 24810
188: ok 24811
188: ok 24812
188: ok 24813
188: ok 24814
188: ok 24815
188: ok 24816
188: ok 24817
188: ok 24818
188: ok 24819
188: ok 24820
188: ok 24821
188: ok 24822
188: ok 24823
188: ok 24824
188: ok 24825
188: ok 24826
188: ok 24827
188: ok 24828
188: ok 24829
188: ok 24830
188: ok 24831
188: ok 24832
188: ok 24833
188: ok 24834
188: ok 24835
188: ok 24836
188: ok 24837
188: ok 24838
188: ok 24839
188: ok 24840
188: ok 24841
188: ok 24842
188: ok 24843
188: ok 24844
188: ok 24845
188: ok 24846
188: ok 24847
188: ok 24848
188: ok 24849
188: ok 24850
188: ok 24851
188: ok 24852
188: ok 24853
188: ok 24854
188: ok 24855
188: ok 24856
188: ok 24857
188: ok 24858
188: ok 24859
188: ok 24860
188: ok 24861
188: ok 24862
188: ok 24863
188: ok 24864
188: ok 24865
188: ok 24866
188: ok 24867
188: ok 24868
188: ok 24869
188: ok 24870
188: ok 24871
188: ok 24872
188: ok 24873
188: ok 24874
188: ok 24875
188: ok 24876
188: ok 24877
188: ok 24878
188: ok 24879
188: ok 24880
188: ok 24881
188: ok 24882
188: ok 24883
188: ok 24884
188: ok 24885
188: ok 24886
188: ok 24887
188: ok 24888
188: ok 24889
188: ok 24890
188: ok 24891
188: ok 24892
188: ok 24893
188: ok 24894
188: ok 24895
188: ok 24896
188: ok 24897
188: ok 24898
188: ok 24899
188: ok 24900
188: ok 24901
188: ok 24902
188: ok 24903
188: ok 24904
188: ok 24905
188: ok 24906
188: ok 24907
188: ok 24908
188: ok 24909
188: ok 24910
188: ok 24911
188: ok 24912
188: ok 24913
188: ok 24914
188: ok 24915
188: ok 24916
188: ok 24917
188: ok 24918
188: ok 24919
188: ok 24920
188: ok 24921
188: ok 24922
188: ok 24923
188: ok 24924
188: ok 24925
188: ok 24926
188: ok 24927
188: ok 24928
188: ok 24929
188: ok 24930
188: ok 24931
188: ok 24932
188: ok 24933
188: ok 24934
188: ok 24935
188: ok 24936
188: ok 24937
188: ok 24938
188: ok 24939
188: ok 24940
188: ok 24941
188: ok 24942
188: ok 24943
188: ok 24944
188: ok 24945
188: ok 24946
188: ok 24947
188: ok 24948
188: ok 24949
188: ok 24950
188: ok 24951
188: ok 24952
188: ok 24953
188: ok 24954
188: ok 24955
188: ok 24956
188: ok 24957
188: ok 24958
188: ok 24959
188: ok 24960
188: ok 24961
188: ok 24962
188: ok 24963
188: ok 24964
188: ok 24965
188: ok 24966
188: ok 24967
188: ok 24968
188: ok 24969
188: ok 24970
188: ok 24971
188: ok 24972
188: ok 24973
188: ok 24974
188: ok 24975
188: ok 24976
188: ok 24977
188: ok 24978
188: ok 24979
188: ok 24980
188: ok 24981
188: ok 24982
188: ok 24983
188: ok 24984
188: ok 24985
188: ok 24986
188: ok 24987
188: ok 24988
188: ok 24989
188: ok 24990
188: ok 24991
188: ok 24992
188: ok 24993
188: ok 24994
188: ok 24995
188: ok 24996
188: ok 24997
188: ok 24998
188: ok 24999
188: ok 25000
188: ok 25001
188: ok 25002
188: ok 25003
188: ok 25004
188: ok 25005
188: ok 25006
188: ok 25007
188: ok 25008
188: ok 25009
188: ok 25010
188: ok 25011
188: ok 25012
188: ok 25013
188: ok 25014
188: ok 25015
188: ok 25016
188: ok 25017
188: ok 25018
188: ok 25019
188: ok 25020
188: ok 25021
188: ok 25022
188: ok 25023
188: ok 25024
188: ok 25025
188: ok 25026
188: ok 25027
188: ok 25028
188: ok 25029
188: ok 25030
188: ok 25031
188: ok 25032
188: ok 25033
188: ok 25034
188: ok 25035
188: ok 25036
188: ok 25037
188: ok 25038
188: ok 25039
188: ok 25040
188: ok 25041
188: ok 25042
188: ok 25043
188: ok 25044
188: ok 25045
188: ok 25046
188: ok 25047
188: ok 25048
188: ok 25049
188: ok 25050
188: ok 25051
188: ok 25052
188: ok 25053
188: ok 25054
188: ok 25055
188: ok 25056
188: ok 25057
188: ok 25058
188: ok 25059
188: ok 25060
188: ok 25061
188: ok 25062
188: ok 25063
188: ok 25064
188: ok 25065
188: ok 25066
188: ok 25067
188: ok 25068
188: ok 25069
188: ok 25070
188: ok 25071
188: ok 25072
188: ok 25073
188: ok 25074
188: ok 25075
188: ok 25076
188: ok 25077
188: ok 25078
188: ok 25079
188: ok 25080
188: ok 25081
188: ok 25082
188: ok 25083
188: ok 25084
188: ok 25085
188: ok 25086
188: ok 25087
188: ok 25088
188: ok 25089
188: ok 25090
188: ok 25091
188: ok 25092
188: ok 25093
188: ok 25094
188: ok 25095
188: ok 25096
188: ok 25097
188: ok 25098
188: ok 25099
188: ok 25100
188: ok 25101
188: ok 25102
188: ok 25103
188: ok 25104
188: ok 25105
188: ok 25106
188: ok 25107
188: ok 25108
188: ok 25109
188: ok 25110
188: ok 25111
188: ok 25112
188: ok 25113
188: ok 25114
188: ok 25115
188: ok 25116
188: ok 25117
188: ok 25118
188: ok 25119
188: ok 25120
188: ok 25121
188: ok 25122
188: ok 25123
188: ok 25124
188: ok 25125
188: ok 25126
188: ok 25127
188: ok 25128
188: ok 25129
188: ok 25130
188: ok 25131
188: ok 25132
188: ok 25133
188: ok 25134
188: ok 25135
188: ok 25136
188: ok 25137
188: ok 25138
188: ok 25139
188: ok 25140
188: ok 25141
188: ok 25142
188: ok 25143
188: ok 25144
188: ok 25145
188: ok 25146
188: ok 25147
188: ok 25148
188: ok 25149
188: ok 25150
188: ok 25151
188: ok 25152
188: ok 25153
188: ok 25154
188: ok 25155
188: ok 25156
188: ok 25157
188: ok 25158
188: ok 25159
188: ok 25160
188: ok 25161
188: ok 25162
188: ok 25163
188: ok 25164
188: ok 25165
188: ok 25166
188: ok 25167
188: ok 25168
188: ok 25169
188: ok 25170
188: ok 25171
188: ok 25172
188: ok 25173
188: ok 25174
188: ok 25175
188: ok 25176
188: ok 25177
188: ok 25178
188: ok 25179
188: ok 25180
188: ok 25181
188: ok 25182
188: ok 25183
188: ok 25184
188: ok 25185
188: ok 25186
188: ok 25187
188: ok 25188
188: ok 25189
188: ok 25190
188: ok 25191
188: ok 25192
188: ok 25193
188: ok 25194
188: ok 25195
188: ok 25196
188: ok 25197
188: ok 25198
188: ok 25199
188: ok 25200
188: ok 25201
188: ok 25202
188: ok 25203
188: ok 25204
188: ok 25205
188: ok 25206
188: ok 25207
188: ok 25208
188: ok 25209
188: ok 25210
188: ok 25211
188: ok 25212
188: ok 25213
188: ok 25214
188: ok 25215
188: ok 25216
188: ok 25217
188: ok 25218
188: ok 25219
188: ok 25220
188: ok 25221
188: ok 25222
188: ok 25223
188: ok 25224
188: ok 25225
188: ok 25226
188: ok 25227
188: ok 25228
188: ok 25229
188: ok 25230
188: ok 25231
188: ok 25232
188: ok 25233
188: ok 25234
188: ok 25235
188: ok 25236
188: ok 25237
188: ok 25238
188: ok 25239
188: ok 25240
188: ok 25241
188: ok 25242
188: ok 25243
188: ok 25244
188: ok 25245
188: ok 25246
188: ok 25247
188: ok 25248
188: ok 25249
188: ok 25250
188: ok 25251
188: ok 25252
188: ok 25253
188: ok 25254
188: ok 25255
188: ok 25256
188: ok 25257
188: ok 25258
188: ok 25259
188: ok 25260
188: ok 25261
188: ok 25262
188: ok 25263
188: ok 25264
188: ok 25265
188: ok 25266
188: ok 25267
188: ok 25268
188: ok 25269
188: ok 25270
188: ok 25271
188: ok 25272
188: ok 25273
188: ok 25274
188: ok 25275
188: ok 25276
188: ok 25277
188: ok 25278
188: ok 25279
188: ok 25280
188: ok 25281
188: ok 25282
188: ok 25283
188: ok 25284
188: ok 25285
188: ok 25286
188: ok 25287
188: ok 25288
188: ok 25289
188: ok 25290
188: ok 25291
188: ok 25292
188: ok 25293
188: ok 25294
188: ok 25295
188: ok 25296
188: ok 25297
188: ok 25298
188: ok 25299
188: ok 25300
188: ok 25301
188: ok 25302
188: ok 25303
188: ok 25304
188: ok 25305
188: ok 25306
188: ok 25307
188: ok 25308
188: ok 25309
188: ok 25310
188: ok 25311
188: ok 25312
188: ok 25313
188: ok 25314
188: ok 25315
188: ok 25316
188: ok 25317
188: ok 25318
188: ok 25319
188: ok 25320
188: ok 25321
188: ok 25322
188: ok 25323
188: ok 25324
188: ok 25325
188: ok 25326
188: ok 25327
188: ok 25328
188: ok 25329
188: ok 25330
188: ok 25331
188: ok 25332
188: ok 25333
188: ok 25334
188: ok 25335
188: ok 25336
188: ok 25337
188: ok 25338
188: ok 25339
188: ok 25340
188: ok 25341
188: ok 25342
188: ok 25343
188: ok 25344
188: ok 25345
188: ok 25346
188: ok 25347
188: ok 25348
188: ok 25349
188: ok 25350
188: ok 25351
188: ok 25352
188: ok 25353
188: ok 25354
188: ok 25355
188: ok 25356
188: ok 25357
188: ok 25358
188: ok 25359
188: ok 25360
188: ok 25361
188: ok 25362
188: ok 25363
188: ok 25364
188: ok 25365
188: ok 25366
188: ok 25367
188: ok 25368
188: ok 25369
188: ok 25370
188: ok 25371
188: ok 25372
188: ok 25373
188: ok 25374
188: ok 25375
188: ok 25376
188: ok 25377
188: ok 25378
188: ok 25379
188: ok 25380
188: ok 25381
188: ok 25382
188: ok 25383
188: ok 25384
188: ok 25385
188: ok 25386
188: ok 25387
188: ok 25388
188: ok 25389
188: ok 25390
188: ok 25391
188: ok 25392
188: ok 25393
188: ok 25394
188: ok 25395
188: ok 25396
188: ok 25397
188: ok 25398
188: ok 25399
188: ok 25400
188: ok 25401
188: ok 25402
188: ok 25403
188: ok 25404
188: ok 25405
188: ok 25406
188: ok 25407
188: ok 25408
188: ok 25409
188: ok 25410
188: ok 25411
188: ok 25412
188: ok 25413
188: ok 25414
188: ok 25415
188: ok 25416
188: ok 25417
188: ok 25418
188: ok 25419
188: ok 25420
188: ok 25421
188: ok 25422
188: ok 25423
188: ok 25424
188: ok 25425
188: ok 25426
188: ok 25427
188: ok 25428
188: ok 25429
188: ok 25430
188: ok 25431
188: ok 25432
188: ok 25433
188: ok 25434
188: ok 25435
188: ok 25436
188: ok 25437
188: ok 25438
188: ok 25439
188: ok 25440
188: ok 25441
188: ok 25442
188: ok 25443
188: ok 25444
188: ok 25445
188: ok 25446
188: ok 25447
188: ok 25448
188: ok 25449
188: ok 25450
188: ok 25451
188: ok 25452
188: ok 25453
188: ok 25454
188: ok 25455
188: ok 25456
188: ok 25457
188: ok 25458
188: ok 25459
188: ok 25460
188: ok 25461
188: ok 25462
188: ok 25463
188: ok 25464
188: ok 25465
188: ok 25466
188: ok 25467
188: ok 25468
188: ok 25469
188: ok 25470
188: ok 25471
188: ok 25472
188: ok 25473
188: ok 25474
188: ok 25475
188: ok 25476
188: ok 25477
188: ok 25478
188: ok 25479
188: ok 25480
188: ok 25481
188: ok 25482
188: ok 25483
188: ok 25484
188: ok 25485
188: ok 25486
188: ok 25487
188: ok 25488
188: ok 25489
188: ok 25490
188: ok 25491
188: ok 25492
188: ok 25493
188: ok 25494
188: ok 25495
188: ok 25496
188: ok 25497
188: ok 25498
188: ok 25499
188: ok 25500
188: ok 25501
188: ok 25502
188: ok 25503
188: ok 25504
188: ok 25505
188: ok 25506
188: ok 25507
188: ok 25508
188: ok 25509
188: ok 25510
188: ok 25511
188: ok 25512
188: ok 25513
188: ok 25514
188: ok 25515
188: ok 25516
188: ok 25517
188: ok 25518
188: ok 25519
188: ok 25520
188: ok 25521
188: ok 25522
188: ok 25523
188: ok 25524
188: ok 25525
188: ok 25526
188: ok 25527
188: ok 25528
188: ok 25529
188: ok 25530
188: ok 25531
188: ok 25532
188: ok 25533
188: ok 25534
188: ok 25535
188: ok 25536
188: ok 25537
188: ok 25538
188: ok 25539
188: ok 25540
188: ok 25541
188: ok 25542
188: ok 25543
188: ok 25544
188: ok 25545
188: ok 25546
188: ok 25547
188: ok 25548
188: ok 25549
188: ok 25550
188: ok 25551
188: ok 25552
188: ok 25553
188: ok 25554
188: ok 25555
188: ok 25556
188: ok 25557
188: ok 25558
188: ok 25559
188: ok 25560
188: ok 25561
188: ok 25562
188: ok 25563
188: ok 25564
188: ok 25565
188: ok 25566
188: ok 25567
188: ok 25568
188: ok 25569
188: ok 25570
188: ok 25571
188: ok 25572
188: ok 25573
188: ok 25574
188: ok 25575
188: ok 25576
188: ok 25577
188: ok 25578
188: ok 25579
188: ok 25580
188: ok 25581
188: ok 25582
188: ok 25583
188: ok 25584
188: ok 25585
188: ok 25586
188: ok 25587
188: ok 25588
188: ok 25589
188: ok 25590
188: ok 25591
188: ok 25592
188: ok 25593
188: ok 25594
188: ok 25595
188: ok 25596
188: ok 25597
188: ok 25598
188: ok 25599
188: ok 25600
188: ok 25601
188: ok 25602
188: ok 25603
188: ok 25604
188: ok 25605
188: ok 25606
188: ok 25607
188: ok 25608
188: ok 25609
188: ok 25610
188: ok 25611
188: ok 25612
188: ok 25613
188: ok 25614
188: ok 25615
188: ok 25616
188: ok 25617
188: ok 25618
188: ok 25619
188: ok 25620
188: ok 25621
188: ok 25622
188: ok 25623
188: ok 25624
188: ok 25625
188: ok 25626
188: ok 25627
188: ok 25628
188: ok 25629
188: ok 25630
188: ok 25631
188: ok 25632
188: ok 25633
188: ok 25634
188: ok 25635
188: ok 25636
188: ok 25637
188: ok 25638
188: ok 25639
188: ok 25640
188: ok 25641
188: ok 25642
188: ok 25643
188: ok 25644
188: ok 25645
188: ok 25646
188: ok 25647
188: ok 25648
188: ok 25649
188: ok 25650
188: ok 25651
188: ok 25652
188: ok 25653
188: ok 25654
188: ok 25655
188: ok 25656
188: ok 25657
188: ok 25658
188: ok 25659
188: ok 25660
188: ok 25661
188: ok 25662
188: ok 25663
188: ok 25664
188: ok 25665
188: ok 25666
188: ok 25667
188: ok 25668
188: ok 25669
188: ok 25670
188: ok 25671
188: ok 25672
188: ok 25673
188: ok 25674
188: ok 25675
188: ok 25676
188: ok 25677
188: ok 25678
188: ok 25679
188: ok 25680
188: ok 25681
188: ok 25682
188: ok 25683
188: ok 25684
188: ok 25685
188: ok 25686
188: ok 25687
188: ok 25688
188: ok 25689
188: ok 25690
188: ok 25691
188: ok 25692
188: ok 25693
188: ok 25694
188: ok 25695
188: ok 25696
188: ok 25697
188: ok 25698
188: ok 25699
188: ok 25700
188: ok 25701
188: ok 25702
188: ok 25703
188: ok 25704
188: ok 25705
188: ok 25706
188: ok 25707
188: ok 25708
188: ok 25709
188: ok 25710
188: ok 25711
188: ok 25712
188: ok 25713
188: ok 25714
188: ok 25715
188: ok 25716
188: ok 25717
188: ok 25718
188: ok 25719
188: ok 25720
188: ok 25721
188: ok 25722
188: ok 25723
188: ok 25724
188: ok 25725
188: ok 25726
188: ok 25727
188: ok 25728
188: ok 25729
188: ok 25730
188: ok 25731
188: ok 25732
188: ok 25733
188: ok 25734
188: ok 25735
188: ok 25736
188: ok 25737
188: ok 25738
188: ok 25739
188: ok 25740
188: ok 25741
188: ok 25742
188: ok 25743
188: ok 25744
188: ok 25745
188: ok 25746
188: ok 25747
188: ok 25748
188: ok 25749
188: ok 25750
188: ok 25751
188: ok 25752
188: ok 25753
188: ok 25754
188: ok 25755
188: ok 25756
188: ok 25757
188: ok 25758
188: ok 25759
188: ok 25760
188: ok 25761
188: ok 25762
188: ok 25763
188: ok 25764
188: ok 25765
188: ok 25766
188: ok 25767
188: ok 25768
188: ok 25769
188: ok 25770
188: ok 25771
188: ok 25772
188: ok 25773
188: ok 25774
188: ok 25775
188: ok 25776
188: ok 25777
188: ok 25778
188: ok 25779
188: ok 25780
188: ok 25781
188: ok 25782
188: ok 25783
188: ok 25784
188: ok 25785
188: ok 25786
188: ok 25787
188: ok 25788
188: ok 25789
188: ok 25790
188: ok 25791
188: ok 25792
188: ok 25793
188: ok 25794
188: ok 25795
188: ok 25796
188: ok 25797
188: ok 25798
188: ok 25799
188: ok 25800
188: ok 25801
188: ok 25802
188: ok 25803
188: ok 25804
188: ok 25805
188: ok 25806
188: ok 25807
188: ok 25808
188: ok 25809
188: ok 25810
188: ok 25811
188: ok 25812
188: ok 25813
188: ok 25814
188: ok 25815
188: ok 25816
188: ok 25817
188: ok 25818
188: ok 25819
188: ok 25820
188: ok 25821
188: ok 25822
188: ok 25823
188: ok 25824
188: ok 25825
188: ok 25826
188: ok 25827
188: ok 25828
188: ok 25829
188: ok 25830
188: ok 25831
188: ok 25832
188: ok 25833
188: ok 25834
188: ok 25835
188: ok 25836
188: ok 25837
188: ok 25838
188: ok 25839
188: ok 25840
188: ok 25841
188: ok 25842
188: ok 25843
188: ok 25844
188: ok 25845
188: ok 25846
188: ok 25847
188: ok 25848
188: ok 25849
188: ok 25850
188: ok 25851
188: ok 25852
188: ok 25853
188: ok 25854
188: ok 25855
188: ok 25856
188: ok 25857
188: ok 25858
188: ok 25859
188: ok 25860
188: ok 25861
188: ok 25862
188: ok 25863
188: ok 25864
188: ok 25865
188: ok 25866
188: ok 25867
188: ok 25868
188: ok 25869
188: ok 25870
188: ok 25871
188: ok 25872
188: ok 25873
188: ok 25874
188: ok 25875
188: ok 25876
188: ok 25877
188: ok 25878
188: ok 25879
188: ok 25880
188: ok 25881
188: ok 25882
188: ok 25883
188: ok 25884
188: ok 25885
188: ok 25886
188: ok 25887
188: ok 25888
188: ok 25889
188: ok 25890
188: ok 25891
188: ok 25892
188: ok 25893
188: ok 25894
188: ok 25895
188: ok 25896
188: ok 25897
188: ok 25898
188: ok 25899
188: ok 25900
188: ok 25901
188: ok 25902
188: ok 25903
188: ok 25904
188: ok 25905
188: ok 25906
188: ok 25907
188: ok 25908
188: ok 25909
188: ok 25910
188: ok 25911
188: ok 25912
188: ok 25913
188: ok 25914
188: ok 25915
188: ok 25916
188: ok 25917
188: ok 25918
188: ok 25919
188: ok 25920
188: ok 25921
188: ok 25922
188: ok 25923
188: ok 25924
188: ok 25925
188: ok 25926
188: ok 25927
188: ok 25928
188: ok 25929
188: ok 25930
188: ok 25931
188: ok 25932
188: ok 25933
188: ok 25934
188: ok 25935
188: ok 25936
188: ok 25937
188: ok 25938
188: ok 25939
188: ok 25940
188: ok 25941
188: ok 25942
188: ok 25943
188: ok 25944
188: ok 25945
188: ok 25946
188: ok 25947
188: ok 25948
188: ok 25949
188: ok 25950
188: ok 25951
188: ok 25952
188: ok 25953
188: ok 25954
188: ok 25955
188: ok 25956
188: ok 25957
188: ok 25958
188: ok 25959
188: ok 25960
188: ok 25961
188: ok 25962
188: ok 25963
188: ok 25964
188: ok 25965
188: ok 25966
188: ok 25967
188: ok 25968
188: ok 25969
188: ok 25970
188: ok 25971
188: ok 25972
188: ok 25973
188: ok 25974
188: ok 25975
188: ok 25976
188: ok 25977
188: ok 25978
188: ok 25979
188: ok 25980
188: ok 25981
188: ok 25982
188: ok 25983
188: ok 25984
188: ok 25985
188: ok 25986
188: ok 25987
188: ok 25988
188: ok 25989
188: ok 25990
188: ok 25991
188: ok 25992
188: ok 25993
188: ok 25994
188: ok 25995
188: ok 25996
188: ok 25997
188: ok 25998
188: ok 25999
188: ok 26000
188: ok 26001
188: ok 26002
188: ok 26003
188: ok 26004
188: ok 26005
188: ok 26006
188: ok 26007
188: ok 26008
188: ok 26009
188: ok 26010
188: ok 26011
188: ok 26012
188: ok 26013
188: ok 26014
188: ok 26015
188: ok 26016
188: ok 26017
188: ok 26018
188: ok 26019
188: ok 26020
188: ok 26021
188: ok 26022
188: ok 26023
188: ok 26024
188: ok 26025
188: ok 26026
188: ok 26027
188: ok 26028
188: ok 26029
188: ok 26030
188: ok 26031
188: ok 26032
188: ok 26033
188: ok 26034
188: ok 26035
188: ok 26036
188: ok 26037
188: ok 26038
188: ok 26039
188: ok 26040
188: ok 26041
188: ok 26042
188: ok 26043
188: ok 26044
188: ok 26045
188: ok 26046
188: ok 26047
188: ok 26048
188: ok 26049
188: ok 26050
188: ok 26051
188: ok 26052
188: ok 26053
188: ok 26054
188: ok 26055
188: ok 26056
188: ok 26057
188: ok 26058
188: ok 26059
188: ok 26060
188: ok 26061
188: ok 26062
188: ok 26063
188: ok 26064
188: ok 26065
188: ok 26066
188: ok 26067
188: ok 26068
188: ok 26069
188: ok 26070
188: ok 26071
188: ok 26072
188: ok 26073
188: ok 26074
188: ok 26075
188: ok 26076
188: ok 26077
188: ok 26078
188: ok 26079
188: ok 26080
188: ok 26081
188: ok 26082
188: ok 26083
188: ok 26084
188: ok 26085
188: ok 26086
188: ok 26087
188: ok 26088
188: ok 26089
188: ok 26090
188: ok 26091
188: ok 26092
188: ok 26093
188: ok 26094
188: ok 26095
188: ok 26096
188: ok 26097
188: ok 26098
188: ok 26099
188: ok 26100
188: ok 26101
188: ok 26102
188: ok 26103
188: ok 26104
188: ok 26105
188: ok 26106
188: ok 26107
188: ok 26108
188: ok 26109
188: ok 26110
188: ok 26111
188: ok 26112
188: ok 26113
188: ok 26114
188: ok 26115
188: ok 26116
188: ok 26117
188: ok 26118
188: ok 26119
188: ok 26120
188: ok 26121
188: ok 26122
188: ok 26123
188: ok 26124
188: ok 26125
188: ok 26126
188: ok 26127
188: ok 26128
188: ok 26129
188: ok 26130
188: ok 26131
188: ok 26132
188: ok 26133
188: ok 26134
188: ok 26135
188: ok 26136
188: ok 26137
188: ok 26138
188: ok 26139
188: ok 26140
188: ok 26141
188: ok 26142
188: ok 26143
188: ok 26144
188: ok 26145
188: ok 26146
188: ok 26147
188: ok 26148
188: ok 26149
188: ok 26150
188: ok 26151
188: ok 26152
188: ok 26153
188: ok 26154
188: ok 26155
188: ok 26156
188: ok 26157
188: ok 26158
188: ok 26159
188: ok 26160
188: ok 26161
188: ok 26162
188: ok 26163
188: ok 26164
188: ok 26165
188: ok 26166
188: ok 26167
188: ok 26168
188: ok 26169
188: ok 26170
188: ok 26171
188: ok 26172
188: ok 26173
188: ok 26174
188: ok 26175
188: ok 26176
188: ok 26177
188: ok 26178
188: ok 26179
188: ok 26180
188: ok 26181
188: ok 26182
188: ok 26183
188: ok 26184
188: ok 26185
188: ok 26186
188: ok 26187
188: ok 26188
188: ok 26189
188: ok 26190
188: ok 26191
188: ok 26192
188: ok 26193
188: ok 26194
188: ok 26195
188: ok 26196
188: ok 26197
188: ok 26198
188: ok 26199
188: ok 26200
188: ok 26201
188: ok 26202
188: ok 26203
188: ok 26204
188: ok 26205
188: ok 26206
188: ok 26207
188: ok 26208
188: ok 26209
188: ok 26210
188: ok 26211
188: ok 26212
188: ok 26213
188: ok 26214
188: ok 26215
188: ok 26216
188: ok 26217
188: ok 26218
188: ok 26219
188: ok 26220
188: ok 26221
188: ok 26222
188: ok 26223
188: ok 26224
188: ok 26225
188: ok 26226
188: ok 26227
188: ok 26228
188: ok 26229
188: ok 26230
188: ok 26231
188: ok 26232
188: ok 26233
188: ok 26234
188: ok 26235
188: ok 26236
188: ok 26237
188: ok 26238
188: ok 26239
188: ok 26240
188: ok 26241
188: ok 26242
188: ok 26243
188: ok 26244
188: ok 26245
188: ok 26246
188: ok 26247
188: ok 26248
188: ok 26249
188: ok 26250
188: ok 26251
188: ok 26252
188: ok 26253
188: ok 26254
188: ok 26255
188: ok 26256
188: ok 26257
188: ok 26258
188: ok 26259
188: ok 26260
188: ok 26261
188: ok 26262
188: ok 26263
188: ok 26264
188: ok 26265
188: ok 26266
188: ok 26267
188: ok 26268
188: ok 26269
188: ok 26270
188: ok 26271
188: ok 26272
188: ok 26273
188: ok 26274
188: ok 26275
188: ok 26276
188: ok 26277
188: ok 26278
188: ok 26279
188: ok 26280
188: ok 26281
188: ok 26282
188: ok 26283
188: ok 26284
188: ok 26285
188: ok 26286
188: ok 26287
188: ok 26288
188: ok 26289
188: ok 26290
188: ok 26291
188: ok 26292
188: ok 26293
188: ok 26294
188: ok 26295
188: ok 26296
188: ok 26297
188: ok 26298
188: ok 26299
188: ok 26300
188: ok 26301
188: ok 26302
188: ok 26303
188: ok 26304
188: ok 26305
188: ok 26306
188: ok 26307
188: ok 26308
188: ok 26309
188: ok 26310
188: ok 26311
188: ok 26312
188: ok 26313
188: ok 26314
188: ok 26315
188: ok 26316
188: ok 26317
188: ok 26318
188: ok 26319
188: ok 26320
188: ok 26321
188: ok 26322
188: ok 26323
188: ok 26324
188: ok 26325
188: ok 26326
188: ok 26327
188: ok 26328
188: ok 26329
188: ok 26330
188: ok 26331
188: ok 26332
188: ok 26333
188: ok 26334
188: ok 26335
188: ok 26336
188: ok 26337
188: ok 26338
188: ok 26339
188: ok 26340
188: ok 26341
188: ok 26342
188: ok 26343
188: ok 26344
188: ok 26345
188: ok 26346
188: ok 26347
188: ok 26348
188: ok 26349
188: ok 26350
188: ok 26351
188: ok 26352
188: ok 26353
188: ok 26354
188: ok 26355
188: ok 26356
188: ok 26357
188: ok 26358
188: ok 26359
188: ok 26360
188: ok 26361
188: ok 26362
188: ok 26363
188: ok 26364
188: ok 26365
188: ok 26366
188: ok 26367
188: ok 26368
188: ok 26369
188: ok 26370
188: ok 26371
188: ok 26372
188: ok 26373
188: ok 26374
188: ok 26375
188: ok 26376
188: ok 26377
188: ok 26378
188: ok 26379
188: ok 26380
188: ok 26381
188: ok 26382
188: ok 26383
188: ok 26384
188: ok 26385
188: ok 26386
188: ok 26387
188: ok 26388
188: ok 26389
188: ok 26390
188: ok 26391
188: ok 26392
188: ok 26393
188: ok 26394
188: ok 26395
188: ok 26396
188: ok 26397
188: ok 26398
188: ok 26399
188: ok 26400
188: ok 26401
188: ok 26402
188: ok 26403
188: ok 26404
188: ok 26405
188: ok 26406
188: ok 26407
188: ok 26408
188: ok 26409
188: ok 26410
188: ok 26411
188: ok 26412
188: ok 26413
188: ok 26414
188: ok 26415
188: ok 26416
188: ok 26417
188: ok 26418
188: ok 26419
188: ok 26420
188: ok 26421
188: ok 26422
188: ok 26423
188: ok 26424
188: ok 26425
188: ok 26426
188: ok 26427
188: ok 26428
188: ok 26429
188: ok 26430
188: ok 26431
188: ok 26432
188: ok 26433
188: ok 26434
188: ok 26435
188: ok 26436
188: ok 26437
188: ok 26438
188: ok 26439
188: ok 26440
188: ok 26441
188: ok 26442
188: ok 26443
188: ok 26444
188: ok 26445
188: ok 26446
188: ok 26447
188: ok 26448
188: ok 26449
188: ok 26450
188: ok 26451
188: ok 26452
188: ok 26453
188: ok 26454
188: ok 26455
188: ok 26456
188: ok 26457
188: ok 26458
188: ok 26459
188: ok 26460
188: ok 26461
188: ok 26462
188: ok 26463
188: ok 26464
188: ok 26465
188: ok 26466
188: ok 26467
188: ok 26468
188: ok 26469
188: ok 26470
188: ok 26471
188: ok 26472
188: ok 26473
188: ok 26474
188: ok 26475
188: ok 26476
188: ok 26477
188: ok 26478
188: ok 26479
188: ok 26480
188: ok 26481
188: ok 26482
188: ok 26483
188: ok 26484
188: ok 26485
188: ok 26486
188: ok 26487
188: ok 26488
188: ok 26489
188: ok 26490
188: ok 26491
188: ok 26492
188: ok 26493
188: ok 26494
188: ok 26495
188: ok 26496
188: ok 26497
188: ok 26498
188: ok 26499
188: ok 26500
188: ok 26501
188: ok 26502
188: ok 26503
188: ok 26504
188: ok 26505
188: ok 26506
188: ok 26507
188: ok 26508
188: ok 26509
188: ok 26510
188: ok 26511
188: ok 26512
188: ok 26513
188: ok 26514
188: ok 26515
188: ok 26516
188: ok 26517
188: ok 26518
188: ok 26519
188: ok 26520
188: ok 26521
188: ok 26522
188: ok 26523
188: ok 26524
188: ok 26525
188: ok 26526
188: ok 26527
188: ok 26528
188: ok 26529
188: ok 26530
188: ok 26531
188: ok 26532
188: ok 26533
188: ok 26534
188: ok 26535
188: ok 26536
188: ok 26537
188: ok 26538
188: ok 26539
188: ok 26540
188: ok 26541
188: ok 26542
188: ok 26543
188: ok 26544
188: ok 26545
188: ok 26546
188: ok 26547
188: ok 26548
188: ok 26549
188: ok 26550
188: ok 26551
188: ok 26552
188: ok 26553
188: ok 26554
188: ok 26555
188: ok 26556
188: ok 26557
188: ok 26558
188: ok 26559
188: ok 26560
188: ok 26561
188: ok 26562
188: ok 26563
188: ok 26564
188: ok 26565
188: ok 26566
188: ok 26567
188: ok 26568
188: ok 26569
188: ok 26570
188: ok 26571
188: ok 26572
188: ok 26573
188: ok 26574
188: ok 26575
188: ok 26576
188: ok 26577
188: ok 26578
188: ok 26579
188: ok 26580
188: ok 26581
188: ok 26582
188: ok 26583
188: ok 26584
188: ok 26585
188: ok 26586
188: ok 26587
188: ok 26588
188: ok 26589
188: ok 26590
188: ok 26591
188: ok 26592
188: ok 26593
188: ok 26594
188: ok 26595
188: ok 26596
188: ok 26597
188: ok 26598
188: ok 26599
188: ok 26600
188: ok 26601
188: ok 26602
188: ok 26603
188: ok 26604
188: ok 26605
188: ok 26606
188: ok 26607
188: ok 26608
188: ok 26609
188: ok 26610
188: ok 26611
188: ok 26612
188: ok 26613
188: ok 26614
188: ok 26615
188: ok 26616
188: ok 26617
188: ok 26618
188: ok 26619
188: ok 26620
188: ok 26621
188: ok 26622
188: ok 26623
188: ok 26624
188: ok 26625
188: ok 26626
188: ok 26627
188: ok 26628
188: ok 26629
188: ok 26630
188: ok 26631
188: ok 26632
188: ok 26633
188: ok 26634
188: ok 26635
188: ok 26636
188: ok 26637
188: ok 26638
188: ok 26639
188: ok 26640
188: ok 26641
188: ok 26642
188: ok 26643
188: ok 26644
188: ok 26645
188: ok 26646
188: ok 26647
188: ok 26648
188: ok 26649
188: ok 26650
188: ok 26651
188: ok 26652
188: ok 26653
188: ok 26654
188: ok 26655
188: ok 26656
188: ok 26657
188: ok 26658
188: ok 26659
188: ok 26660
188: ok 26661
188: ok 26662
188: ok 26663
188: ok 26664
188: ok 26665
188: ok 26666
188: ok 26667
188: ok 26668
188: ok 26669
188: ok 26670
188: ok 26671
188: ok 26672
188: ok 26673
188: ok 26674
188: ok 26675
188: ok 26676
188: ok 26677
188: ok 26678
188: ok 26679
188: ok 26680
188: ok 26681
188: ok 26682
188: ok 26683
188: ok 26684
188: ok 26685
188: ok 26686
188: ok 26687
188: ok 26688
188: ok 26689
188: ok 26690
188: ok 26691
188: ok 26692
188: ok 26693
188: ok 26694
188: ok 26695
188: ok 26696
188: ok 26697
188: ok 26698
188: ok 26699
188: ok 26700
188: ok 26701
188: ok 26702
188: ok 26703
188: ok 26704
188: ok 26705
188: ok 26706
188: ok 26707
188: ok 26708
188: ok 26709
188: ok 26710
188: ok 26711
188: ok 26712
188: ok 26713
188: ok 26714
188: ok 26715
188: ok 26716
188: ok 26717
188: ok 26718
188: ok 26719
188: ok 26720
188: ok 26721
188: ok 26722
188: ok 26723
188: ok 26724
188: ok 26725
188: ok 26726
188: ok 26727
188: ok 26728
188: ok 26729
188: ok 26730
188: ok 26731
188: ok 26732
188: ok 26733
188: ok 26734
188: ok 26735
188: ok 26736
188: ok 26737
188: ok 26738
188: ok 26739
188: ok 26740
188: ok 26741
188: ok 26742
188: ok 26743
188: ok 26744
188: ok 26745
188: ok 26746
188: ok 26747
188: ok 26748
188: ok 26749
188: ok 26750
188: ok 26751
188: ok 26752
188: ok 26753
188: ok 26754
188: ok 26755
188: ok 26756
188: ok 26757
188: ok 26758
188: ok 26759
188: ok 26760
188: ok 26761
188: ok 26762
188: ok 26763
188: ok 26764
188: ok 26765
188: ok 26766
188: ok 26767
188: ok 26768
188: ok 26769
188: ok 26770
188: ok 26771
188: ok 26772
188: ok 26773
188: ok 26774
188: ok 26775
188: ok 26776
188: ok 26777
188: ok 26778
188: ok 26779
188: ok 26780
188: ok 26781
188: ok 26782
188: ok 26783
188: ok 26784
188: ok 26785
188: ok 26786
188: ok 26787
188: ok 26788
188: ok 26789
188: ok 26790
188: ok 26791
188: ok 26792
188: ok 26793
188: ok 26794
188: ok 26795
188: ok 26796
188: ok 26797
188: ok 26798
188: ok 26799
188: ok 26800
188: ok 26801
188: ok 26802
188: ok 26803
188: ok 26804
188: ok 26805
188: ok 26806
188: ok 26807
188: ok 26808
188: ok 26809
188: ok 26810
188: ok 26811
188: ok 26812
188: ok 26813
188: ok 26814
188: ok 26815
188: ok 26816
188: ok 26817
188: ok 26818
188: ok 26819
188: ok 26820
188: ok 26821
188: ok 26822
188: ok 26823
188: ok 26824
188: ok 26825
188: ok 26826
188: ok 26827
188: ok 26828
188: ok 26829
188: ok 26830
188: ok 26831
188: ok 26832
188: ok 26833
188: ok 26834
188: ok 26835
188: ok 26836
188: ok 26837
188: ok 26838
188: ok 26839
188: ok 26840
188: ok 26841
188: ok 26842
188: ok 26843
188: ok 26844
188: ok 26845
188: ok 26846
188: ok 26847
188: ok 26848
188: ok 26849
188: ok 26850
188: ok 26851
188: ok 26852
188: ok 26853
188: ok 26854
188: ok 26855
188: ok 26856
188: ok 26857
188: ok 26858
188: ok 26859
188: ok 26860
188: ok 26861
188: ok 26862
188: ok 26863
188: ok 26864
188: ok 26865
188: ok 26866
188: ok 26867
188: ok 26868
188: ok 26869
188: ok 26870
188: ok 26871
188: ok 26872
188: ok 26873
188: ok 26874
188: ok 26875
188: ok 26876
188: ok 26877
188: ok 26878
188: ok 26879
188: ok 26880
188: ok 26881
188: ok 26882
188: ok 26883
188: ok 26884
188: ok 26885
188: ok 26886
188: ok 26887
188: ok 26888
188: ok 26889
188: ok 26890
188: ok 26891
188: ok 26892
188: ok 26893
188: ok 26894
188: ok 26895
188: ok 26896
188: ok 26897
188: ok 26898
188: ok 26899
188: ok 26900
188: ok 26901
188: ok 26902
188: ok 26903
188: ok 26904
188: ok 26905
188: ok 26906
188: ok 26907
188: ok 26908
188: ok 26909
188: ok 26910
188: ok 26911
188: ok 26912
188: ok 26913
188: ok 26914
188: ok 26915
188: ok 26916
188: ok 26917
188: ok 26918
188: ok 26919
188: ok 26920
188: ok 26921
188: ok 26922
188: ok 26923
188: ok 26924
188: ok 26925
188: ok 26926
188: ok 26927
188: ok 26928
188: ok 26929
188: ok 26930
188: ok 26931
188: ok 26932
188: ok 26933
188: ok 26934
188: ok 26935
188: ok 26936
188: ok 26937
188: ok 26938
188: ok 26939
188: ok 26940
188: ok 26941
188: ok 26942
188: ok 26943
188: ok 26944
188: ok 26945
188: ok 26946
188: ok 26947
188: ok 26948
188: ok 26949
188: ok 26950
188: ok 26951
188: ok 26952
188: ok 26953
188: ok 26954
188: ok 26955
188: ok 26956
188: ok 26957
188: ok 26958
188: ok 26959
188: ok 26960
188: ok 26961
188: ok 26962
188: ok 26963
188: ok 26964
188: ok 26965
188: ok 26966
188: ok 26967
188: ok 26968
188: ok 26969
188: ok 26970
188: ok 26971
188: ok 26972
188: ok 26973
188: ok 26974
188: ok 26975
188: ok 26976
188: ok 26977
188: ok 26978
188: ok 26979
188: ok 26980
188: ok 26981
188: ok 26982
188: ok 26983
188: ok 26984
188: ok 26985
188: ok 26986
188: ok 26987
188: ok 26988
188: ok 26989
188: ok 26990
188: ok 26991
188: ok 26992
188: ok 26993
188: ok 26994
188: ok 26995
188: ok 26996
188: ok 26997
188: ok 26998
188: ok 26999
188: ok 27000
188: ok 27001
188: ok 27002
188: ok 27003
188: ok 27004
188: ok 27005
188: ok 27006
188: ok 27007
188: ok 27008
188: ok 27009
188: ok 27010
188: ok 27011
188: ok 27012
188: ok 27013
188: ok 27014
188: ok 27015
188: ok 27016
188: ok 27017
188: ok 27018
188: ok 27019
188: ok 27020
188: ok 27021
188: ok 27022
188: ok 27023
188: ok 27024
188: ok 27025
188: ok 27026
188: ok 27027
188: ok 27028
188: ok 27029
188: ok 27030
188: ok 27031
188: ok 27032
188: ok 27033
188: ok 27034
188: ok 27035
188: ok 27036
188: ok 27037
188: ok 27038
188: ok 27039
188: ok 27040
188: ok 27041
188: ok 27042
188: ok 27043
188: ok 27044
188: ok 27045
188: ok 27046
188: ok 27047
188: ok 27048
188: ok 27049
188: ok 27050
188: ok 27051
188: ok 27052
188: ok 27053
188: ok 27054
188: ok 27055
188: ok 27056
188: ok 27057
188: ok 27058
188: ok 27059
188: ok 27060
188: ok 27061
188: ok 27062
188: ok 27063
188: ok 27064
188: ok 27065
188: ok 27066
188: ok 27067
188: ok 27068
188: ok 27069
188: ok 27070
188: ok 27071
188: ok 27072
188: ok 27073
188: ok 27074
188: ok 27075
188: ok 27076
188: ok 27077
188: ok 27078
188: ok 27079
188: ok 27080
188: ok 27081
188: ok 27082
188: ok 27083
188: ok 27084
188: ok 27085
188: ok 27086
188: ok 27087
188: ok 27088
188: ok 27089
188: ok 27090
188: ok 27091
188: ok 27092
188: ok 27093
188: ok 27094
188: ok 27095
188: ok 27096
188: ok 27097
188: ok 27098
188: ok 27099
188: ok 27100
188: ok 27101
188: ok 27102
188: ok 27103
188: ok 27104
188: ok 27105
188: ok 27106
188: ok 27107
188: ok 27108
188: ok 27109
188: ok 27110
188: ok 27111
188: ok 27112
188: ok 27113
188: ok 27114
188: ok 27115
188: ok 27116
188: ok 27117
188: ok 27118
188: ok 27119
188: ok 27120
188: ok 27121
188: ok 27122
188: ok 27123
188: ok 27124
188: ok 27125
188: ok 27126
188: ok 27127
188: ok 27128
188: ok 27129
188: ok 27130
188: ok 27131
188: ok 27132
188: ok 27133
188: ok 27134
188: ok 27135
188: ok 27136
188: ok 27137
188: ok 27138
188: ok 27139
188: ok 27140
188: ok 27141
188: ok 27142
188: ok 27143
188: ok 27144
188: ok 27145
188: ok 27146
188: ok 27147
188: ok 27148
188: ok 27149
188: ok 27150
188: ok 27151
188: ok 27152
188: ok 27153
188: ok 27154
188: ok 27155
188: ok 27156
188: ok 27157
188: ok 27158
188: ok 27159
188: ok 27160
188: ok 27161
188: ok 27162
188: ok 27163
188: ok 27164
188: ok 27165
188: ok 27166
188: ok 27167
188: ok 27168
188: ok 27169
188: ok 27170
188: ok 27171
188: ok 27172
188: ok 27173
188: ok 27174
188: ok 27175
188: ok 27176
188: ok 27177
188: ok 27178
188: ok 27179
188: ok 27180
188: ok 27181
188: ok 27182
188: ok 27183
188: ok 27184
188: ok 27185
188: ok 27186
188: ok 27187
188: ok 27188
188: ok 27189
188: ok 27190
188: ok 27191
188: ok 27192
188: ok 27193
188: ok 27194
188: ok 27195
188: ok 27196
188: ok 27197
188: ok 27198
188: ok 27199
188: ok 27200
188: ok 27201
188: ok 27202
188: ok 27203
188: ok 27204
188: ok 27205
188: ok 27206
188: ok 27207
188: ok 27208
188: ok 27209
188: ok 27210
188: ok 27211
188: ok 27212
188: ok 27213
188: ok 27214
188: ok 27215
188: ok 27216
188: ok 27217
188: ok 27218
188: ok 27219
188: ok 27220
188: ok 27221
188: ok 27222
188: ok 27223
188: ok 27224
188: ok 27225
188: ok 27226
188: ok 27227
188: ok 27228
188: ok 27229
188: ok 27230
188: ok 27231
188: ok 27232
188: ok 27233
188: ok 27234
188: ok 27235
188: ok 27236
188: ok 27237
188: ok 27238
188: ok 27239
188: ok 27240
188: ok 27241
188: ok 27242
188: ok 27243
188: ok 27244
188: ok 27245
188: ok 27246
188: ok 27247
188: ok 27248
188: ok 27249
188: ok 27250
188: ok 27251
188: ok 27252
188: ok 27253
188: ok 27254
188: ok 27255
188: ok 27256
188: ok 27257
188: ok 27258
188: ok 27259
188: ok 27260
188: ok 27261
188: ok 27262
188: ok 27263
188: ok 27264
188: ok 27265
188: ok 27266
188: ok 27267
188: ok 27268
188: ok 27269
188: ok 27270
188: ok 27271
188: ok 27272
188: ok 27273
188: ok 27274
188: ok 27275
188: ok 27276
188: ok 27277
188: ok 27278
188: ok 27279
188: ok 27280
188: ok 27281
188: ok 27282
188: ok 27283
188: ok 27284
188: ok 27285
188: ok 27286
188: ok 27287
188: ok 27288
188: ok 27289
188: ok 27290
188: ok 27291
188: ok 27292
188: ok 27293
188: ok 27294
188: ok 27295
188: ok 27296
188: ok 27297
188: ok 27298
188: ok 27299
188: ok 27300
188: ok 27301
188: ok 27302
188: ok 27303
188: ok 27304
188: ok 27305
188: ok 27306
188: ok 27307
188: ok 27308
188: ok 27309
188: ok 27310
188: ok 27311
188: ok 27312
188: ok 27313
188: ok 27314
188: ok 27315
188: ok 27316
188: ok 27317
188: ok 27318
188: ok 27319
188: ok 27320
188: ok 27321
188: ok 27322
188: ok 27323
188: ok 27324
188: ok 27325
188: ok 27326
188: ok 27327
188: ok 27328
188: ok 27329
188: ok 27330
188: ok 27331
188: ok 27332
188: ok 27333
188: ok 27334
188: ok 27335
188: ok 27336
188: ok 27337
188: ok 27338
188: ok 27339
188: ok 27340
188: ok 27341
188: ok 27342
188: ok 27343
188: ok 27344
188: ok 27345
188: ok 27346
188: ok 27347
188: ok 27348
188: ok 27349
188: ok 27350
188: ok 27351
188: ok 27352
188: ok 27353
188: ok 27354
188: ok 27355
188: ok 27356
188: ok 27357
188: ok 27358
188: ok 27359
188: ok 27360
188: ok 27361
188: ok 27362
188: ok 27363
188: ok 27364
188: ok 27365
188: ok 27366
188: ok 27367
188: ok 27368
188: ok 27369
188: ok 27370
188: ok 27371
188: ok 27372
188: ok 27373
188: ok 27374
188: ok 27375
188: ok 27376
188: ok 27377
188: ok 27378
188: ok 27379
188: ok 27380
188: ok 27381
188: ok 27382
188: ok 27383
188: ok 27384
188: ok 27385
188: ok 27386
188: ok 27387
188: ok 27388
188: ok 27389
188: ok 27390
188: ok 27391
188: ok 27392
188: ok 27393
188: ok 27394
188: ok 27395
188: ok 27396
188: ok 27397
188: ok 27398
188: ok 27399
188: ok 27400
188: ok 27401
188: ok 27402
188: ok 27403
188: ok 27404
188: ok 27405
188: ok 27406
188: ok 27407
188: ok 27408
188: ok 27409
188: ok 27410
188: ok 27411
188: ok 27412
188: ok 27413
188: ok 27414
188: ok 27415
188: ok 27416
188: ok 27417
188: ok 27418
188: ok 27419
188: ok 27420
188: ok 27421
188: ok 27422
188: ok 27423
188: ok 27424
188: ok 27425
188: ok 27426
188: ok 27427
188: ok 27428
188: ok 27429
188: ok 27430
188: ok 27431
188: ok 27432
188: ok 27433
188: ok 27434
188: ok 27435
188: ok 27436
188: ok 27437
188: ok 27438
188: ok 27439
188: ok 27440
188: ok 27441
188: ok 27442
188: ok 27443
188: ok 27444
188: ok 27445
188: ok 27446
188: ok 27447
188: ok 27448
188: ok 27449
188: ok 27450
188: ok 27451
188: ok 27452
188: ok 27453
188: ok 27454
188: ok 27455
188: ok 27456
188: ok 27457
188: ok 27458
188: ok 27459
188: ok 27460
188: ok 27461
188: ok 27462
188: ok 27463
188: ok 27464
188: ok 27465
188: ok 27466
188: ok 27467
188: ok 27468
188: ok 27469
188: ok 27470
188: ok 27471
188: ok 27472
188: ok 27473
188: ok 27474
188: ok 27475
188: ok 27476
188: ok 27477
188: ok 27478
188: ok 27479
188: ok 27480
188: ok 27481
188: ok 27482
188: ok 27483
188: ok 27484
188: ok 27485
188: ok 27486
188: ok 27487
188: ok 27488
188: ok 27489
188: ok 27490
188: ok 27491
188: ok 27492
188: ok 27493
188: ok 27494
188: ok 27495
188: ok 27496
188: ok 27497
188: ok 27498
188: ok 27499
188: ok 27500
188: ok 27501
188: ok 27502
188: ok 27503
188: ok 27504
188: ok 27505
188: ok 27506
188: ok 27507
188: ok 27508
188: ok 27509
188: ok 27510
188: ok 27511
188: ok 27512
188: ok 27513
188: ok 27514
188: ok 27515
188: ok 27516
188: ok 27517
188: ok 27518
188: ok 27519
188: ok 27520
188: ok 27521
188: ok 27522
188: ok 27523
188: ok 27524
188: ok 27525
188: ok 27526
188: ok 27527
188: ok 27528
188: ok 27529
188: ok 27530
188: ok 27531
188: ok 27532
188: ok 27533
188: ok 27534
188: ok 27535
188: ok 27536
188: ok 27537
188: ok 27538
188: ok 27539
188: ok 27540
188: ok 27541
188: ok 27542
188: ok 27543
188: ok 27544
188: ok 27545
188: ok 27546
188: ok 27547
188: ok 27548
188: ok 27549
188: ok 27550
188: ok 27551
188: ok 27552
188: ok 27553
188: ok 27554
188: ok 27555
188: ok 27556
188: ok 27557
188: ok 27558
188: ok 27559
188: ok 27560
188: ok 27561
188: ok 27562
188: ok 27563
188: ok 27564
188: ok 27565
188: ok 27566
188: ok 27567
188: ok 27568
188: ok 27569
188: ok 27570
188: ok 27571
188: ok 27572
188: ok 27573
188: ok 27574
188: ok 27575
188: ok 27576
188: ok 27577
188: ok 27578
188: ok 27579
188: ok 27580
188: ok 27581
188: ok 27582
188: ok 27583
188: ok 27584
188: ok 27585
188: ok 27586
188: ok 27587
188: ok 27588
188: ok 27589
188: ok 27590
188: ok 27591
188: ok 27592
188: ok 27593
188: ok 27594
188: ok 27595
188: ok 27596
188: ok 27597
188: ok 27598
188: ok 27599
188: ok 27600
188: ok 27601
188: ok 27602
188: ok 27603
188: ok 27604
188: ok 27605
188: ok 27606
188: ok 27607
188: ok 27608
188: ok 27609
188: ok 27610
188: ok 27611
188: ok 27612
188: ok 27613
188: ok 27614
188: ok 27615
188: ok 27616
188: ok 27617
188: ok 27618
188: ok 27619
188: ok 27620
188: ok 27621
188: ok 27622
188: ok 27623
188: ok 27624
188: ok 27625
188: ok 27626
188: ok 27627
188: ok 27628
188: ok 27629
188: ok 27630
188: ok 27631
188: ok 27632
188: ok 27633
188: ok 27634
188: ok 27635
188: ok 27636
188: ok 27637
188: ok 27638
188: ok 27639
188: ok 27640
188: ok 27641
188: ok 27642
188: ok 27643
188: ok 27644
188: ok 27645
188: ok 27646
188: ok 27647
188: ok 27648
188: ok 27649
188: ok 27650
188: ok 27651
188: ok 27652
188: ok 27653
188: ok 27654
188: ok 27655
188: ok 27656
188: ok 27657
188: ok 27658
188: ok 27659
188: ok 27660
188: ok 27661
188: ok 27662
188: ok 27663
188: ok 27664
188: ok 27665
188: ok 27666
188: ok 27667
188: ok 27668
188: ok 27669
188: ok 27670
188: ok 27671
188: ok 27672
188: ok 27673
188: ok 27674
188: ok 27675
188: ok 27676
188: ok 27677
188: ok 27678
188: ok 27679
188: ok 27680
188: ok 27681
188: ok 27682
188: ok 27683
188: ok 27684
188: ok 27685
188: ok 27686
188: ok 27687
188: ok 27688
188: ok 27689
188: ok 27690
188: ok 27691
188: ok 27692
188: ok 27693
188: ok 27694
188: ok 27695
188: ok 27696
188: ok 27697
188: ok 27698
188: ok 27699
188: ok 27700
188: ok 27701
188: ok 27702
188: ok 27703
188: ok 27704
188: ok 27705
188: ok 27706
188: ok 27707
188: ok 27708
188: ok 27709
188: ok 27710
188: ok 27711
188: ok 27712
188: ok 27713
188: ok 27714
188: ok 27715
188: ok 27716
188: ok 27717
188: ok 27718
188: ok 27719
188: ok 27720
188: ok 27721
188: ok 27722
188: ok 27723
188: ok 27724
188: ok 27725
188: ok 27726
188: ok 27727
188: ok 27728
188: ok 27729
188: ok 27730
188: ok 27731
188: ok 27732
188: ok 27733
188: ok 27734
188: ok 27735
188: ok 27736
188: ok 27737
188: ok 27738
188: ok 27739
188: ok 27740
188: ok 27741
188: ok 27742
188: ok 27743
188: ok 27744
188: ok 27745
188: ok 27746
188: ok 27747
188: ok 27748
188: ok 27749
188: ok 27750
188: ok 27751
188: ok 27752
188: ok 27753
188: ok 27754
188: ok 27755
188: ok 27756
188: ok 27757
188: ok 27758
188: ok 27759
188: ok 27760
188: ok 27761
188: ok 27762
188: ok 27763
188: ok 27764
188: ok 27765
188: ok 27766
188: ok 27767
188: ok 27768
188: ok 27769
188: ok 27770
188: ok 27771
188: ok 27772
188: ok 27773
188: ok 27774
188: ok 27775
188: ok 27776
188: ok 27777
188: ok 27778
188: ok 27779
188: ok 27780
188: ok 27781
188: ok 27782
188: ok 27783
188: ok 27784
188: ok 27785
188: ok 27786
188: ok 27787
188: ok 27788
188: ok 27789
188: ok 27790
188: ok 27791
188: ok 27792
188: ok 27793
188: ok 27794
188: ok 27795
188: ok 27796
188: ok 27797
188: ok 27798
188: ok 27799
188: ok 27800
188: ok 27801
188: ok 27802
188: ok 27803
188: ok 27804
188: ok 27805
188: ok 27806
188: ok 27807
188: ok 27808
188: ok 27809
188: ok 27810
188: ok 27811
188: ok 27812
188: ok 27813
188: ok 27814
188: ok 27815
188: ok 27816
188: ok 27817
188: ok 27818
188: ok 27819
188: ok 27820
188: ok 27821
188: ok 27822
188: ok 27823
188: ok 27824
188: ok 27825
188: ok 27826
188: ok 27827
188: ok 27828
188: ok 27829
188: ok 27830
188: ok 27831
188: ok 27832
188: ok 27833
188: ok 27834
188: ok 27835
188: ok 27836
188: ok 27837
188: ok 27838
188: ok 27839
188: ok 27840
188: ok 27841
188: ok 27842
188: ok 27843
188: ok 27844
188: ok 27845
188: ok 27846
188: ok 27847
188: ok 27848
188: ok 27849
188: ok 27850
188: ok 27851
188: ok 27852
188: ok 27853
188: ok 27854
188: ok 27855
188: ok 27856
188: ok 27857
188: ok 27858
188: ok 27859
188: ok 27860
188: ok 27861
188: ok 27862
188: ok 27863
188: ok 27864
188: ok 27865
188: ok 27866
188: ok 27867
188: ok 27868
188: ok 27869
188: ok 27870
188: ok 27871
188: ok 27872
188: ok 27873
188: ok 27874
188: ok 27875
188: ok 27876
188: ok 27877
188: ok 27878
188: ok 27879
188: ok 27880
188: ok 27881
188: ok 27882
188: ok 27883
188: ok 27884
188: ok 27885
188: ok 27886
188: ok 27887
188: ok 27888
188: ok 27889
188: ok 27890
188: ok 27891
188: ok 27892
188: ok 27893
188: ok 27894
188: ok 27895
188: ok 27896
188: ok 27897
188: ok 27898
188: ok 27899
188: ok 27900
188: ok 27901
188: ok 27902
188: ok 27903
188: ok 27904
188: ok 27905
188: ok 27906
188: ok 27907
188: ok 27908
188: ok 27909
188: ok 27910
188: ok 27911
188: ok 27912
188: ok 27913
188: ok 27914
188: ok 27915
188: ok 27916
188: ok 27917
188: ok 27918
188: ok 27919
188: ok 27920
188: ok 27921
188: ok 27922
188: ok 27923
188: ok 27924
188: ok 27925
188: ok 27926
188: ok 27927
188: ok 27928
188: ok 27929
188: ok 27930
188: ok 27931
188: ok 27932
188: ok 27933
188: ok 27934
188: ok 27935
188: ok 27936
188: ok 27937
188: ok 27938
188: ok 27939
188: ok 27940
188: ok 27941
188: ok 27942
188: ok 27943
188: ok 27944
188: ok 27945
188: ok 27946
188: ok 27947
188: ok 27948
188: ok 27949
188: ok 27950
188: ok 27951
188: ok 27952
188: ok 27953
188: ok 27954
188: ok 27955
188: ok 27956
188: ok 27957
188: ok 27958
188: ok 27959
188: ok 27960
188: ok 27961
188: ok 27962
188: ok 27963
188: ok 27964
188: ok 27965
188: ok 27966
188: ok 27967
188: ok 27968
188: ok 27969
188: ok 27970
188: ok 27971
188: ok 27972
188: ok 27973
188: ok 27974
188: ok 27975
188: ok 27976
188: ok 27977
188: ok 27978
188: ok 27979
188: ok 27980
188: ok 27981
188: ok 27982
188: ok 27983
188: ok 27984
188: ok 27985
188: ok 27986
188: ok 27987
188: ok 27988
188: ok 27989
188: ok 27990
188: ok 27991
188: ok 27992
188: ok 27993
188: ok 27994
188: ok 27995
188: ok 27996
188: ok 27997
188: ok 27998
188: ok 27999
188: ok 28000
188: ok 28001
188: ok 28002
188: ok 28003
188: ok 28004
188: ok 28005
188: ok 28006
188: ok 28007
188: ok 28008
188: ok 28009
188: ok 28010
188: ok 28011
188: ok 28012
188: ok 28013
188: ok 28014
188: ok 28015
188: ok 28016
188: ok 28017
188: ok 28018
188: ok 28019
188: ok 28020
188: ok 28021
188: ok 28022
188: ok 28023
188: ok 28024
188: ok 28025
188: ok 28026
188: ok 28027
188: ok 28028
188: ok 28029
188: ok 28030
188: ok 28031
188: ok 28032
188: ok 28033
188: ok 28034
188: ok 28035
188: ok 28036
188: ok 28037
188: ok 28038
188: ok 28039
188: ok 28040
188: ok 28041
188: ok 28042
188: ok 28043
188: ok 28044
188: ok 28045
188: ok 28046
188: ok 28047
188: ok 28048
188: ok 28049
188: ok 28050
188: ok 28051
188: ok 28052
188: ok 28053
188: ok 28054
188: ok 28055
188: ok 28056
188: ok 28057
188: ok 28058
188: ok 28059
188: ok 28060
188: ok 28061
188: ok 28062
188: ok 28063
188: ok 28064
188: ok 28065
188: ok 28066
188: ok 28067
188: ok 28068
188: ok 28069
188: ok 28070
188: ok 28071
188: ok 28072
188: ok 28073
188: ok 28074
188: ok 28075
188: ok 28076
188: ok 28077
188: ok 28078
188: ok 28079
188: ok 28080
188: ok 28081
188: ok 28082
188: ok 28083
188: ok 28084
188: ok 28085
188: ok 28086
188: ok 28087
188: ok 28088
188: ok 28089
188: ok 28090
188: ok 28091
188: ok 28092
188: ok 28093
188: ok 28094
188: ok 28095
188: ok 28096
188: ok 28097
188: ok 28098
188: ok 28099
188: ok 28100
188: ok 28101
188: ok 28102
188: ok 28103
188: ok 28104
188: ok 28105
188: ok 28106
188: ok 28107
188: ok 28108
188: ok 28109
188: ok 28110
188: ok 28111
188: ok 28112
188: ok 28113
188: ok 28114
188: ok 28115
188: ok 28116
188: ok 28117
188: ok 28118
188: ok 28119
188: ok 28120
188: ok 28121
188: ok 28122
188: ok 28123
188: ok 28124
188: ok 28125
188: ok 28126
188: ok 28127
188: ok 28128
188: ok 28129
188: ok 28130
188: ok 28131
188: ok 28132
188: ok 28133
188: ok 28134
188: ok 28135
188: ok 28136
188: ok 28137
188: ok 28138
188: ok 28139
188: ok 28140
188: ok 28141
188: ok 28142
188: ok 28143
188: ok 28144
188: ok 28145
188: ok 28146
188: ok 28147
188: ok 28148
188: ok 28149
188: ok 28150
188: ok 28151
188: ok 28152
188: ok 28153
188: ok 28154
188: ok 28155
188: ok 28156
188: ok 28157
188: ok 28158
188: ok 28159
188: ok 28160
188: ok 28161
188: ok 28162
188: ok 28163
188: ok 28164
188: ok 28165
188: ok 28166
188: ok 28167
188: ok 28168
188: ok 28169
188: ok 28170
188: ok 28171
188: ok 28172
188: ok 28173
188: ok 28174
188: ok 28175
188: ok 28176
188: ok 28177
188: ok 28178
188: ok 28179
188: ok 28180
188: ok 28181
188: ok 28182
188: ok 28183
188: ok 28184
188: ok 28185
188: ok 28186
188: ok 28187
188: ok 28188
188: ok 28189
188: ok 28190
188: ok 28191
188: ok 28192
188: ok 28193
188: ok 28194
188: ok 28195
188: ok 28196
188: ok 28197
188: ok 28198
188: ok 28199
188: ok 28200
188: ok 28201
188: ok 28202
188: ok 28203
188: ok 28204
188: ok 28205
188: ok 28206
188: ok 28207
188: ok 28208
188: ok 28209
188: ok 28210
188: ok 28211
188: ok 28212
188: ok 28213
188: ok 28214
188: ok 28215
188: ok 28216
188: ok 28217
188: ok 28218
188: ok 28219
188: ok 28220
188: ok 28221
188: ok 28222
188: ok 28223
188: ok 28224
188: ok 28225
188: ok 28226
188: ok 28227
188: ok 28228
188: ok 28229
188: ok 28230
188: ok 28231
188: ok 28232
188: ok 28233
188: ok 28234
188: ok 28235
188: ok 28236
188: ok 28237
188: ok 28238
188: ok 28239
188: ok 28240
188: ok 28241
188: ok 28242
188: ok 28243
188: ok 28244
188: ok 28245
188: ok 28246
188: ok 28247
188: ok 28248
188: ok 28249
188: ok 28250
188: ok 28251
188: ok 28252
188: ok 28253
188: ok 28254
188: ok 28255
188: ok 28256
188: ok 28257
188: ok 28258
188: ok 28259
188: ok 28260
188: ok 28261
188: ok 28262
188: ok 28263
188: ok 28264
188: ok 28265
188: ok 28266
188: ok 28267
188: ok 28268
188: ok 28269
188: ok 28270
188: ok 28271
188: ok 28272
188: ok 28273
188: ok 28274
188: ok 28275
188: ok 28276
188: ok 28277
188: ok 28278
188: ok 28279
188: ok 28280
188: ok 28281
188: ok 28282
188: ok 28283
188: ok 28284
188: ok 28285
188: ok 28286
188: ok 28287
188: ok 28288
188: ok 28289
188: ok 28290
188: ok 28291
188: ok 28292
188: ok 28293
188: ok 28294
188: ok 28295
188: ok 28296
188: ok 28297
188: ok 28298
188: ok 28299
188: ok 28300
188: ok 28301
188: ok 28302
188: ok 28303
188: ok 28304
188: ok 28305
188: ok 28306
188: ok 28307
188: ok 28308
188: ok 28309
188: ok 28310
188: ok 28311
188: ok 28312
188: ok 28313
188: ok 28314
188: ok 28315
188: ok 28316
188: ok 28317
188: ok 28318
188: ok 28319
188: ok 28320
188: ok 28321
188: ok 28322
188: ok 28323
188: ok 28324
188: ok 28325
188: ok 28326
188: ok 28327
188: ok 28328
188: ok 28329
188: ok 28330
188: ok 28331
188: ok 28332
188: ok 28333
188: ok 28334
188: ok 28335
188: ok 28336
188: ok 28337
188: ok 28338
188: ok 28339
188: ok 28340
188: ok 28341
188: ok 28342
188: ok 28343
188: ok 28344
188: ok 28345
188: ok 28346
188: ok 28347
188: ok 28348
188: ok 28349
188: ok 28350
188: ok 28351
188: ok 28352
188: ok 28353
188: ok 28354
188: ok 28355
188: ok 28356
188: ok 28357
188: ok 28358
188: ok 28359
188: ok 28360
188: ok 28361
188: ok 28362
188: ok 28363
188: ok 28364
188: ok 28365
188: ok 28366
188: ok 28367
188: ok 28368
188: ok 28369
188: ok 28370
188: ok 28371
188: ok 28372
188: ok 28373
188: ok 28374
188: ok 28375
188: ok 28376
188: ok 28377
188: ok 28378
188: ok 28379
188: ok 28380
188: ok 28381
188: ok 28382
188: ok 28383
188: ok 28384
188: ok 28385
188: ok 28386
188: ok 28387
188: ok 28388
188: ok 28389
188: ok 28390
188: ok 28391
188: ok 28392
188: ok 28393
188: ok 28394
188: ok 28395
188: ok 28396
188: ok 28397
188: ok 28398
188: ok 28399
188: ok 28400
188: ok 28401
188: ok 28402
188: ok 28403
188: ok 28404
188: ok 28405
188: ok 28406
188: ok 28407
188: ok 28408
188: ok 28409
188: ok 28410
188: ok 28411
188: ok 28412
188: ok 28413
188: ok 28414
188: ok 28415
188: ok 28416
188: ok 28417
188: ok 28418
188: ok 28419
188: ok 28420
188: ok 28421
188: ok 28422
188: ok 28423
188: ok 28424
188: ok 28425
188: ok 28426
188: ok 28427
188: ok 28428
188: ok 28429
188: ok 28430
188: ok 28431
188: ok 28432
188: ok 28433
188: ok 28434
188: ok 28435
188: ok 28436
188: ok 28437
188: ok 28438
188: ok 28439
188: ok 28440
188: ok 28441
188: ok 28442
188: ok 28443
188: ok 28444
188: ok 28445
188: ok 28446
188: ok 28447
188: ok 28448
188: ok 28449
188: ok 28450
188: ok 28451
188: ok 28452
188: ok 28453
188: ok 28454
188: ok 28455
188: ok 28456
188: ok 28457
188: ok 28458
188: ok 28459
188: ok 28460
188: ok 28461
188: ok 28462
188: ok 28463
188: ok 28464
188: ok 28465
188: ok 28466
188: ok 28467
188: ok 28468
188: ok 28469
188: ok 28470
188: ok 28471
188: ok 28472
188: ok 28473
188: ok 28474
188: ok 28475
188: ok 28476
188: ok 28477
188: ok 28478
188: ok 28479
188: ok 28480
188: ok 28481
188: ok 28482
188: ok 28483
188: ok 28484
188: ok 28485
188: ok 28486
188: ok 28487
188: ok 28488
188: ok 28489
188: ok 28490
188: ok 28491
188: ok 28492
188: ok 28493
188: ok 28494
188: ok 28495
188: ok 28496
188: ok 28497
188: ok 28498
188: ok 28499
188: ok 28500
188: ok 28501
188: ok 28502
188: ok 28503
188: ok 28504
188: ok 28505
188: ok 28506
188: ok 28507
188: ok 28508
188: ok 28509
188: ok 28510
188: ok 28511
188: ok 28512
188: ok 28513
188: ok 28514
188: ok 28515
188: ok 28516
188: ok 28517
188: ok 28518
188: ok 28519
188: ok 28520
188: ok 28521
188: ok 28522
188: ok 28523
188: ok 28524
188: ok 28525
188: ok 28526
188: ok 28527
188: ok 28528
188: ok 28529
188: ok 28530
188: ok 28531
188: ok 28532
188: ok 28533
188: ok 28534
188: ok 28535
188: ok 28536
188: ok 28537
188: ok 28538
188: ok 28539
188: ok 28540
188: ok 28541
188: ok 28542
188: ok 28543
188: ok 28544
188: ok 28545
188: ok 28546
188: ok 28547
188: ok 28548
188: ok 28549
188: ok 28550
188: ok 28551
188: ok 28552
188: ok 28553
188: ok 28554
188: ok 28555
188: ok 28556
188: ok 28557
188: ok 28558
188: ok 28559
188: ok 28560
188: ok 28561
188: ok 28562
188: ok 28563
188: ok 28564
188: ok 28565
188: ok 28566
188: ok 28567
188: ok 28568
188: ok 28569
188: ok 28570
188: ok 28571
188: ok 28572
188: ok 28573
188: ok 28574
188: ok 28575
188: ok 28576
188: ok 28577
188: ok 28578
188: ok 28579
188: ok 28580
188: ok 28581
188: ok 28582
188: ok 28583
188: ok 28584
188: ok 28585
188: ok 28586
188: ok 28587
188: ok 28588
188: ok 28589
188: ok 28590
188: ok 28591
188: ok 28592
188: ok 28593
188: ok 28594
188: ok 28595
188: ok 28596
188: ok 28597
188: ok 28598
188: ok 28599
188: ok 28600
188: ok 28601
188: ok 28602
188: ok 28603
188: ok 28604
188: ok 28605
188: ok 28606
188: ok 28607
188: ok 28608
188: ok 28609
188: ok 28610
188: ok 28611
188: ok 28612
188: ok 28613
188: ok 28614
188: ok 28615
188: ok 28616
188: ok 28617
188: ok 28618
188: ok 28619
188: ok 28620
188: ok 28621
188: ok 28622
188: ok 28623
188: ok 28624
188: ok 28625
188: ok 28626
188: ok 28627
188: ok 28628
188: ok 28629
188: ok 28630
188: ok 28631
188: ok 28632
188: ok 28633
188: ok 28634
188: ok 28635
188: ok 28636
188: ok 28637
188: ok 28638
188: ok 28639
188: ok 28640
188: ok 28641
188: ok 28642
188: ok 28643
188: ok 28644
188: ok 28645
188: ok 28646
188: ok 28647
188: ok 28648
188: ok 28649
188: ok 28650
188: ok 28651
188: ok 28652
188: ok 28653
188: ok 28654
188: ok 28655
188: ok 28656
188: ok 28657
188: ok 28658
188: ok 28659
188: ok 28660
188: ok 28661
188: ok 28662
188: ok 28663
188: ok 28664
188: ok 28665
188: ok 28666
188: ok 28667
188: ok 28668
188: ok 28669
188: ok 28670
188: ok 28671
188: ok 28672
188: ok 28673
188: ok 28674
188: ok 28675
188: ok 28676
188: ok 28677
188: ok 28678
188: ok 28679
188: ok 28680
188: ok 28681
188: ok 28682
188: ok 28683
188: ok 28684
188: ok 28685
188: ok 28686
188: ok 28687
188: ok 28688
188: ok 28689
188: ok 28690
188: ok 28691
188: ok 28692
188: ok 28693
188: ok 28694
188: ok 28695
188: ok 28696
188: ok 28697
188: ok 28698
188: ok 28699
188: ok 28700
188: ok 28701
188: ok 28702
188: ok 28703
188: ok 28704
188: ok 28705
188: ok 28706
188: ok 28707
188: ok 28708
188: ok 28709
188: ok 28710
188: ok 28711
188: ok 28712
188: ok 28713
188: ok 28714
188: ok 28715
188: ok 28716
188: ok 28717
188: ok 28718
188: ok 28719
188: ok 28720
188: ok 28721
188: ok 28722
188: ok 28723
188: ok 28724
188: ok 28725
188: ok 28726
188: ok 28727
188: ok 28728
188: ok 28729
188: ok 28730
188: ok 28731
188: ok 28732
188: ok 28733
188: ok 28734
188: ok 28735
188: ok 28736
188: ok 28737
188: ok 28738
188: ok 28739
188: ok 28740
188: ok 28741
188: ok 28742
188: ok 28743
188: ok 28744
188: ok 28745
188: ok 28746
188: ok 28747
188: ok 28748
188: ok 28749
188: ok 28750
188: ok 28751
188: ok 28752
188: ok 28753
188: ok 28754
188: ok 28755
188: ok 28756
188: ok 28757
188: ok 28758
188: ok 28759
188: ok 28760
188: ok 28761
188: ok 28762
188: ok 28763
188: ok 28764
188: ok 28765
188: ok 28766
188: ok 28767
188: ok 28768
188: ok 28769
188: ok 28770
188: ok 28771
188: ok 28772
188: ok 28773
188: ok 28774
188: ok 28775
188: ok 28776
188: ok 28777
188: ok 28778
188: ok 28779
188: ok 28780
188: ok 28781
188: ok 28782
188: ok 28783
188: ok 28784
188: ok 28785
188: ok 28786
188: ok 28787
188: ok 28788
188: ok 28789
188: ok 28790
188: ok 28791
188: ok 28792
188: ok 28793
188: ok 28794
188: ok 28795
188: ok 28796
188: ok 28797
188: ok 28798
188: ok 28799
188: ok 28800
188: ok 28801
188: ok 28802
188: ok 28803
188: ok 28804
188: ok 28805
188: ok 28806
188: ok 28807
188: ok 28808
188: ok 28809
188: ok 28810
188: ok 28811
188: ok 28812
188: ok 28813
188: ok 28814
188: ok 28815
188: ok 28816
188: ok 28817
188: ok 28818
188: ok 28819
188: ok 28820
188: ok 28821
188: ok 28822
188: ok 28823
188: ok 28824
188: ok 28825
188: ok 28826
188: ok 28827
188: ok 28828
188: ok 28829
188: ok 28830
188: ok 28831
188: ok 28832
188: ok 28833
188: ok 28834
188: ok 28835
188: ok 28836
188: ok 28837
188: ok 28838
188: ok 28839
188: ok 28840
188: ok 28841
188: ok 28842
188: ok 28843
188: ok 28844
188: ok 28845
188: ok 28846
188: ok 28847
188: ok 28848
188: ok 28849
188: ok 28850
188: ok 28851
188: ok 28852
188: ok 28853
188: ok 28854
188: ok 28855
188: ok 28856
188: ok 28857
188: ok 28858
188: ok 28859
188: ok 28860
188: ok 28861
188: ok 28862
188: ok 28863
188: ok 28864
188: ok 28865
188: ok 28866
188: ok 28867
188: ok 28868
188: ok 28869
188: ok 28870
188: ok 28871
188: ok 28872
188: ok 28873
188: ok 28874
188: ok 28875
188: ok 28876
188: ok 28877
188: ok 28878
188: ok 28879
188: ok 28880
188: ok 28881
188: ok 28882
188: ok 28883
188: ok 28884
188: ok 28885
188: ok 28886
188: ok 28887
188: ok 28888
188: ok 28889
188: ok 28890
188: ok 28891
188: ok 28892
188: ok 28893
188: ok 28894
188: ok 28895
188: ok 28896
188: ok 28897
188: ok 28898
188: ok 28899
188: ok 28900
188: ok 28901
188: ok 28902
188: ok 28903
188: ok 28904
188: ok 28905
188: ok 28906
188: ok 28907
188: ok 28908
188: ok 28909
188: ok 28910
188: ok 28911
188: ok 28912
188: ok 28913
188: ok 28914
188: ok 28915
188: ok 28916
188: ok 28917
188: ok 28918
188: ok 28919
188: ok 28920
188: ok 28921
188: ok 28922
188: ok 28923
188: ok 28924
188: ok 28925
188: ok 28926
188: ok 28927
188: ok 28928
188: ok 28929
188: ok 28930
188: ok 28931
188: ok 28932
188: ok 28933
188: ok 28934
188: ok 28935
188: ok 28936
188: ok 28937
188: ok 28938
188: ok 28939
188: ok 28940
188: ok 28941
188: ok 28942
188: ok 28943
188: ok 28944
188: ok 28945
188: ok 28946
188: ok 28947
188: ok 28948
188: ok 28949
188: ok 28950
188: ok 28951
188: ok 28952
188: ok 28953
188: ok 28954
188: ok 28955
188: ok 28956
188: ok 28957
188: ok 28958
188: ok 28959
188: ok 28960
188: ok 28961
188: ok 28962
188: ok 28963
188: ok 28964
188: ok 28965
188: ok 28966
188: ok 28967
188: ok 28968
188: ok 28969
188: ok 28970
188: ok 28971
188: ok 28972
188: ok 28973
188: ok 28974
188: ok 28975
188: ok 28976
188: ok 28977
188: ok 28978
188: ok 28979
188: ok 28980
188: ok 28981
188: ok 28982
188: ok 28983
188: ok 28984
188: ok 28985
188: ok 28986
188: ok 28987
188: ok 28988
188: ok 28989
188: ok 28990
188: ok 28991
188: ok 28992
188: ok 28993
188: ok 28994
188: ok 28995
188: ok 28996
188: ok 28997
188: ok 28998
188: ok 28999
188: ok 29000
188: ok 29001
188: ok 29002
188: ok 29003
188: ok 29004
188: ok 29005
188: ok 29006
188: ok 29007
188: ok 29008
188: ok 29009
188: ok 29010
188: ok 29011
188: ok 29012
188: ok 29013
188: ok 29014
188: ok 29015
188: ok 29016
188: ok 29017
188: ok 29018
188: ok 29019
188: ok 29020
188: ok 29021
188: ok 29022
188: ok 29023
188: ok 29024
188: ok 29025
188: ok 29026
188: ok 29027
188: ok 29028
188: ok 29029
188: ok 29030
188: ok 29031
188: ok 29032
188: ok 29033
188: ok 29034
188: ok 29035
188: ok 29036
188: ok 29037
188: ok 29038
188: ok 29039
188: ok 29040
188: ok 29041
188: ok 29042
188: ok 29043
188: ok 29044
188: ok 29045
188: ok 29046
188: ok 29047
188: ok 29048
188: ok 29049
188: ok 29050
188: ok 29051
188: ok 29052
188: ok 29053
188: ok 29054
188: ok 29055
188: ok 29056
188: ok 29057
188: ok 29058
188: ok 29059
188: ok 29060
188: ok 29061
188: ok 29062
188: ok 29063
188: ok 29064
188: ok 29065
188: ok 29066
188: ok 29067
188: ok 29068
188: ok 29069
188: ok 29070
188: ok 29071
188: ok 29072
188: ok 29073
188: ok 29074
188: ok 29075
188: ok 29076
188: ok 29077
188: ok 29078
188: ok 29079
188: ok 29080
188: ok 29081
188: ok 29082
188: ok 29083
188: ok 29084
188: ok 29085
188: ok 29086
188: ok 29087
188: ok 29088
188: ok 29089
188: ok 29090
188: ok 29091
188: ok 29092
188: ok 29093
188: ok 29094
188: ok 29095
188: ok 29096
188: ok 29097
188: ok 29098
188: ok 29099
188: ok 29100
188: ok 29101
188: ok 29102
188: ok 29103
188: ok 29104
188: ok 29105
188: ok 29106
188: ok 29107
188: ok 29108
188: ok 29109
188: ok 29110
188: ok 29111
188: ok 29112
188: ok 29113
188: ok 29114
188: ok 29115
188: ok 29116
188: ok 29117
188: ok 29118
188: ok 29119
188: ok 29120
188: ok 29121
188: ok 29122
188: ok 29123
188: ok 29124
188: ok 29125
188: ok 29126
188: ok 29127
188: ok 29128
188: ok 29129
188: ok 29130
188: ok 29131
188: ok 29132
188: ok 29133
188: ok 29134
188: ok 29135
188: ok 29136
188: ok 29137
188: ok 29138
188: ok 29139
188: ok 29140
188: ok 29141
188: ok 29142
188: ok 29143
188: ok 29144
188: ok 29145
188: ok 29146
188: ok 29147
188: ok 29148
188: ok 29149
188: ok 29150
188: ok 29151
188: ok 29152
188: ok 29153
188: ok 29154
188: ok 29155
188: ok 29156
188: ok 29157
188: ok 29158
188: ok 29159
188: ok 29160
188: ok 29161
188: ok 29162
188: ok 29163
188: ok 29164
188: ok 29165
188: ok 29166
188: ok 29167
188: ok 29168
188: ok 29169
188: ok 29170
188: ok 29171
188: ok 29172
188: ok 29173
188: ok 29174
188: ok 29175
188: ok 29176
188: ok 29177
188: ok 29178
188: ok 29179
188: ok 29180
188: ok 29181
188: ok 29182
188: ok 29183
188: ok 29184
188: ok 29185
188: ok 29186
188: ok 29187
188: ok 29188
188: ok 29189
188: ok 29190
188: ok 29191
188: ok 29192
188: ok 29193
188: ok 29194
188: ok 29195
188: ok 29196
188: ok 29197
188: ok 29198
188: ok 29199
188: ok 29200
188: ok 29201
188: ok 29202
188: ok 29203
188: ok 29204
188: ok 29205
188: ok 29206
188: ok 29207
188: ok 29208
188: ok 29209
188: ok 29210
188: ok 29211
188: ok 29212
188: ok 29213
188: ok 29214
188: ok 29215
188: ok 29216
188: ok 29217
188: ok 29218
188: ok 29219
188: ok 29220
188: ok 29221
188: ok 29222
188: ok 29223
188: ok 29224
188: ok 29225
188: ok 29226
188: ok 29227
188: ok 29228
188: ok 29229
188: ok 29230
188: ok 29231
188: ok 29232
188: ok 29233
188: ok 29234
188: ok 29235
188: ok 29236
188: ok 29237
188: ok 29238
188: ok 29239
188: ok 29240
188: ok 29241
188: ok 29242
188: ok 29243
188: ok 29244
188: ok 29245
188: ok 29246
188: ok 29247
188: ok 29248
188: ok 29249
188: ok 29250
188: ok 29251
188: ok 29252
188: ok 29253
188: ok 29254
188: ok 29255
188: ok 29256
188: ok 29257
188: ok 29258
188: ok 29259
188: ok 29260
188: ok 29261
188: ok 29262
188: ok 29263
188: ok 29264
188: ok 29265
188: ok 29266
188: ok 29267
188: ok 29268
188: ok 29269
188: ok 29270
188: ok 29271
188: ok 29272
188: ok 29273
188: ok 29274
188: ok 29275
188: ok 29276
188: ok 29277
188: ok 29278
188: ok 29279
188: ok 29280
188: ok 29281
188: ok 29282
188: ok 29283
188: ok 29284
188: ok 29285
188: ok 29286
188: ok 29287
188: ok 29288
188: ok 29289
188: ok 29290
188: ok 29291
188: ok 29292
188: ok 29293
188: ok 29294
188: ok 29295
188: ok 29296
188: ok 29297
188: ok 29298
188: ok 29299
188: ok 29300
188: ok 29301
188: ok 29302
188: ok 29303
188: ok 29304
188: ok 29305
188: ok 29306
188: ok 29307
188: ok 29308
188: ok 29309
188: ok 29310
188: ok 29311
188: ok 29312
188: ok 29313
188: ok 29314
188: ok 29315
188: ok 29316
188: ok 29317
188: ok 29318
188: ok 29319
188: ok 29320
188: ok 29321
188: ok 29322
188: ok 29323
188: ok 29324
188: ok 29325
188: ok 29326
188: ok 29327
188: ok 29328
188: ok 29329
188: ok 29330
188: ok 29331
188: ok 29332
188: ok 29333
188: ok 29334
188: ok 29335
188: ok 29336
188: ok 29337
188: ok 29338
188: ok 29339
188: ok 29340
188: ok 29341
188: ok 29342
188: ok 29343
188: ok 29344
188: ok 29345
188: ok 29346
188: ok 29347
188: ok 29348
188: ok 29349
188: ok 29350
188: ok 29351
188: ok 29352
188: ok 29353
188: ok 29354
188: ok 29355
188: ok 29356
188: ok 29357
188: ok 29358
188: ok 29359
188: ok 29360
188: ok 29361
188: ok 29362
188: ok 29363
188: ok 29364
188: ok 29365
188: ok 29366
188: ok 29367
188: ok 29368
188: ok 29369
188: ok 29370
188: ok 29371
188: ok 29372
188: ok 29373
188: ok 29374
188: ok 29375
188: ok 29376
188: ok 29377
188: ok 29378
188: ok 29379
188: ok 29380
188: ok 29381
188: ok 29382
188: ok 29383
188: ok 29384
188: ok 29385
188: ok 29386
188: ok 29387
188: ok 29388
188: ok 29389
188: ok 29390
188: ok 29391
188: ok 29392
188: ok 29393
188: ok 29394
188: ok 29395
188: ok 29396
188: ok 29397
188: ok 29398
188: ok 29399
188: ok 29400
188: ok 29401
188: ok 29402
188: ok 29403
188: ok 29404
188: ok 29405
188: ok 29406
188: ok 29407
188: ok 29408
188: ok 29409
188: ok 29410
188: ok 29411
188: ok 29412
188: ok 29413
188: ok 29414
188: ok 29415
188: ok 29416
188: ok 29417
188: ok 29418
188: ok 29419
188: ok 29420
188: ok 29421
188: ok 29422
188: ok 29423
188: ok 29424
188: ok 29425
188: ok 29426
188: ok 29427
188: ok 29428
188: ok 29429
188: ok 29430
188: ok 29431
188: ok 29432
188: ok 29433
188: ok 29434
188: ok 29435
188: ok 29436
188: ok 29437
188: ok 29438
188: ok 29439
188: ok 29440
188: ok 29441
188: ok 29442
188: ok 29443
188: ok 29444
188: ok 29445
188: ok 29446
188: ok 29447
188: ok 29448
188: ok 29449
188: ok 29450
188: ok 29451
188: ok 29452
188: ok 29453
188: ok 29454
188: ok 29455
188: ok 29456
188: ok 29457
188: ok 29458
188: ok 29459
188: ok 29460
188: ok 29461
188: ok 29462
188: ok 29463
188: ok 29464
188: ok 29465
188: ok 29466
188: ok 29467
188: ok 29468
188: ok 29469
188: ok 29470
188: ok 29471
188: ok 29472
188: ok 29473
188: ok 29474
188: ok 29475
188: ok 29476
188: ok 29477
188: ok 29478
188: ok 29479
188: ok 29480
188: ok 29481
188: ok 29482
188: ok 29483
188: ok 29484
188: ok 29485
188: ok 29486
188: ok 29487
188: ok 29488
188: ok 29489
188: ok 29490
188: ok 29491
188: ok 29492
188: ok 29493
188: ok 29494
188: ok 29495
188: ok 29496
188: ok 29497
188: ok 29498
188: ok 29499
188: ok 29500
188: ok 29501
188: ok 29502
188: ok 29503
188: ok 29504
188: ok 29505
188: ok 29506
188: ok 29507
188: ok 29508
188: ok 29509
188: ok 29510
188: ok 29511
188: ok 29512
188: ok 29513
188: ok 29514
188: ok 29515
188: ok 29516
188: ok 29517
188: ok 29518
188: ok 29519
188: ok 29520
188: ok 29521
188: ok 29522
188: ok 29523
188: ok 29524
188: ok 29525
188: ok 29526
188: ok 29527
188: ok 29528
188: ok 29529
188: ok 29530
188: ok 29531
188: ok 29532
188: ok 29533
188: ok 29534
188: ok 29535
188: ok 29536
188: ok 29537
188: ok 29538
188: ok 29539
188: ok 29540
188: ok 29541
188: ok 29542
188: ok 29543
188: ok 29544
188: ok 29545
188: ok 29546
188: ok 29547
188: ok 29548
188: ok 29549
188: ok 29550
188: ok 29551
188: ok 29552
188: ok 29553
188: ok 29554
188: ok 29555
188: ok 29556
188: ok 29557
188: ok 29558
188: ok 29559
188: ok 29560
188: ok 29561
188: ok 29562
188: ok 29563
188: ok 29564
188: ok 29565
188: ok 29566
188: ok 29567
188: ok 29568
188: ok 29569
188: ok 29570
188: ok 29571
188: ok 29572
188: ok 29573
188: ok 29574
188: ok 29575
188: ok 29576
188: ok 29577
188: ok 29578
188: ok 29579
188: ok 29580
188: ok 29581
188: ok 29582
188: ok 29583
188: ok 29584
188: ok 29585
188: ok 29586
188: ok 29587
188: ok 29588
188: ok 29589
188: ok 29590
188: ok 29591
188: ok 29592
188: ok 29593
188: ok 29594
188: ok 29595
188: ok 29596
188: ok 29597
188: ok 29598
188: ok 29599
188: ok 29600
188: ok 29601
188: ok 29602
188: ok 29603
188: ok 29604
188: ok 29605
188: ok 29606
188: ok 29607
188: ok 29608
188: ok 29609
188: ok 29610
188: ok 29611
188: ok 29612
188: ok 29613
188: ok 29614
188: ok 29615
188: ok 29616
188: ok 29617
188: ok 29618
188: ok 29619
188: ok 29620
188: ok 29621
188: ok 29622
188: ok 29623
188: ok 29624
188: ok 29625
188: ok 29626
188: ok 29627
188: ok 29628
188: ok 29629
188: ok 29630
188: ok 29631
188: ok 29632
188: ok 29633
188: ok 29634
188: ok 29635
188: ok 29636
188: ok 29637
188: ok 29638
188: ok 29639
188: ok 29640
188: ok 29641
188: ok 29642
188: ok 29643
188: ok 29644
188: ok 29645
188: ok 29646
188: ok 29647
188: ok 29648
188: ok 29649
188: ok 29650
188: ok 29651
188: ok 29652
188: ok 29653
188: ok 29654
188: ok 29655
188: ok 29656
188: ok 29657
188: ok 29658
188: ok 29659
188: ok 29660
188: ok 29661
188: ok 29662
188: ok 29663
188: ok 29664
188: ok 29665
188: ok 29666
188: ok 29667
188: ok 29668
188: ok 29669
188: ok 29670
188: ok 29671
188: ok 29672
188: ok 29673
188: ok 29674
188: ok 29675
188: ok 29676
188: ok 29677
188: ok 29678
188: ok 29679
188: ok 29680
188: ok 29681
188: ok 29682
188: ok 29683
188: ok 29684
188: ok 29685
188: ok 29686
188: ok 29687
188: ok 29688
188: ok 29689
188: ok 29690
188: ok 29691
188: ok 29692
188: ok 29693
188: ok 29694
188: ok 29695
188: ok 29696
188: ok 29697
188: ok 29698
188: ok 29699
188: ok 29700
188: ok 29701
188: ok 29702
188: ok 29703
188: ok 29704
188: ok 29705
188: ok 29706
188: ok 29707
188: ok 29708
188: ok 29709
188: ok 29710
188: ok 29711
188: ok 29712
188: ok 29713
188: ok 29714
188: ok 29715
188: ok 29716
188: ok 29717
188: ok 29718
188: ok 29719
188: ok 29720
188: ok 29721
188: ok 29722
188: ok 29723
188: ok 29724
188: ok 29725
188: ok 29726
188: ok 29727
188: ok 29728
188: ok 29729
188: ok 29730
188: ok 29731
188: ok 29732
188: ok 29733
188: ok 29734
188: ok 29735
188: ok 29736
188: ok 29737
188: ok 29738
188: ok 29739
188: ok 29740
188: ok 29741
188: ok 29742
188: ok 29743
188: ok 29744
188: ok 29745
188: ok 29746
188: ok 29747
188: ok 29748
188: ok 29749
188: ok 29750
188: ok 29751
188: ok 29752
188: ok 29753
188: ok 29754
188: ok 29755
188: ok 29756
188: ok 29757
188: ok 29758
188: ok 29759
188: ok 29760
188: ok 29761
188: ok 29762
188: ok 29763
188: ok 29764
188: ok 29765
188: ok 29766
188: ok 29767
188: ok 29768
188: ok 29769
188: ok 29770
188: ok 29771
188: ok 29772
188: ok 29773
188: ok 29774
188: ok 29775
188: ok 29776
188: ok 29777
188: ok 29778
188: ok 29779
188: ok 29780
188: ok 29781
188: ok 29782
188: ok 29783
188: ok 29784
188: ok 29785
188: ok 29786
188: ok 29787
188: ok 29788
188: ok 29789
188: ok 29790
188: ok 29791
188: ok 29792
188: ok 29793
188: ok 29794
188: ok 29795
188: ok 29796
188: ok 29797
188: ok 29798
188: ok 29799
188: ok 29800
188: ok 29801
188: ok 29802
188: ok 29803
188: ok 29804
188: ok 29805
188: ok 29806
188: ok 29807
188: ok 29808
188: ok 29809
188: ok 29810
188: ok 29811
188: ok 29812
188: ok 29813
188: ok 29814
188: ok 29815
188: ok 29816
188: ok 29817
188: ok 29818
188: ok 29819
188: ok 29820
188: ok 29821
188: ok 29822
188: ok 29823
188: ok 29824
188: ok 29825
188: ok 29826
188: ok 29827
188: ok 29828
188: ok 29829
188: ok 29830
188: ok 29831
188: ok 29832
188: ok 29833
188: ok 29834
188: ok 29835
188: ok 29836
188: ok 29837
188: ok 29838
188: ok 29839
188: ok 29840
188: ok 29841
188: ok 29842
188: ok 29843
188: ok 29844
188: ok 29845
188: ok 29846
188: ok 29847
188: ok 29848
188: ok 29849
188: ok 29850
188: ok 29851
188: ok 29852
188: ok 29853
188: ok 29854
188: ok 29855
188: ok 29856
188: ok 29857
188: ok 29858
188: ok 29859
188: ok 29860
188: ok 29861
188: ok 29862
188: ok 29863
188: ok 29864
188: ok 29865
188: ok 29866
188: ok 29867
188: ok 29868
188: ok 29869
188: ok 29870
188: ok 29871
188: ok 29872
188: ok 29873
188: ok 29874
188: ok 29875
188: ok 29876
188: ok 29877
188: ok 29878
188: ok 29879
188: ok 29880
188: ok 29881
188: ok 29882
188: ok 29883
188: ok 29884
188: ok 29885
188: ok 29886
188: ok 29887
188: ok 29888
188: ok 29889
188: ok 29890
188: ok 29891
188: ok 29892
188: ok 29893
188: ok 29894
188: ok 29895
188: ok 29896
188: ok 29897
188: ok 29898
188: ok 29899
188: ok 29900
188: ok 29901
188: ok 29902
188: ok 29903
188: ok 29904
188: ok 29905
188: ok 29906
188: ok 29907
188: ok 29908
188: ok 29909
188: ok 29910
188: ok 29911
188: ok 29912
188: ok 29913
188: ok 29914
188: ok 29915
188: ok 29916
188: ok 29917
188: ok 29918
188: ok 29919
188: ok 29920
188: ok 29921
188: ok 29922
188: ok 29923
188: ok 29924
188: ok 29925
188: ok 29926
188: ok 29927
188: ok 29928
188: ok 29929
188: ok 29930
188: ok 29931
188: ok 29932
188: ok 29933
188: ok 29934
188: ok 29935
188: ok 29936
188: ok 29937
188: ok 29938
188: ok 29939
188: ok 29940
188: ok 29941
188: ok 29942
188: ok 29943
188: ok 29944
188: ok 29945
188: ok 29946
188: ok 29947
188: ok 29948
188: ok 29949
188: ok 29950
188: ok 29951
188: ok 29952
188: ok 29953
188: ok 29954
188: ok 29955
188: ok 29956
188: ok 29957
188: ok 29958
188: ok 29959
188: ok 29960
188: ok 29961
188: ok 29962
188: ok 29963
188: ok 29964
188: ok 29965
188: ok 29966
188: ok 29967
188: ok 29968
188: ok 29969
188: ok 29970
188: ok 29971
188: ok 29972
188: ok 29973
188: ok 29974
188: ok 29975
188: ok 29976
188: ok 29977
188: ok 29978
188: ok 29979
188: ok 29980
188: ok 29981
188: ok 29982
188: ok 29983
188: ok 29984
188: ok 29985
188: ok 29986
188: ok 29987
188: ok 29988
188: ok 29989
188: ok 29990
188: ok 29991
188: ok 29992
188: ok 29993
188: ok 29994
188: ok 29995
188: ok 29996
188: ok 29997
188: ok 29998
188: ok 29999
188: ok 30000
188: ok 30001
188: ok 30002
188: ok 30003
188: ok 30004
188: ok 30005
188: ok 30006
188: ok 30007
188: ok 30008
188: ok 30009
188: ok 30010
188: ok 30011
188: ok 30012
188: ok 30013
188: ok 30014
188: ok 30015
188: ok 30016
188: ok 30017
188: ok 30018
188: ok 30019
188: ok 30020
188: ok 30021
188: ok 30022
188: ok 30023
188: ok 30024
188: ok 30025
188: ok 30026
188: ok 30027
188: ok 30028
188: ok 30029
188: ok 30030
188: ok 30031
188: ok 30032
188: ok 30033
188: ok 30034
188: ok 30035
188: ok 30036
188: ok 30037
188: ok 30038
188: ok 30039
188: ok 30040
188: ok 30041
188: ok 30042
188: ok 30043
188: ok 30044
188: ok 30045
188: ok 30046
188: ok 30047
188: ok 30048
188: ok 30049
188: ok 30050
188: ok 30051
188: ok 30052
188: ok 30053
188: ok 30054
188: ok 30055
188: ok 30056
188: ok 30057
188: ok 30058
188: ok 30059
188: ok 30060
188: ok 30061
188: ok 30062
188: ok 30063
188: ok 30064
188: ok 30065
188: ok 30066
188: ok 30067
188: ok 30068
188: ok 30069
188: ok 30070
188: ok 30071
188: ok 30072
188: ok 30073
188: ok 30074
188: ok 30075
188: ok 30076
188: ok 30077
188: ok 30078
188: ok 30079
188: ok 30080
188: ok 30081
188: ok 30082
188: ok 30083
188: ok 30084
188: ok 30085
188: ok 30086
188: ok 30087
188: ok 30088
188: ok 30089
188: ok 30090
188: ok 30091
188: ok 30092
188: ok 30093
188: ok 30094
188: ok 30095
188: ok 30096
188: ok 30097
188: ok 30098
188: ok 30099
188: ok 30100
188: ok 30101
188: ok 30102
188: ok 30103
188: ok 30104
188: ok 30105
188: ok 30106
188: ok 30107
188: ok 30108
188: ok 30109
188: ok 30110
188: ok 30111
188: ok 30112
188: ok 30113
188: ok 30114
188: ok 30115
188: ok 30116
188: ok 30117
188: ok 30118
188: ok 30119
188: ok 30120
188: ok 30121
188: ok 30122
188: ok 30123
188: ok 30124
188: ok 30125
188: ok 30126
188: ok 30127
188: ok 30128
188: ok 30129
188: ok 30130
188: ok 30131
188: ok 30132
188: ok 30133
188: ok 30134
188: ok 30135
188: ok 30136
188: ok 30137
188: ok 30138
188: ok 30139
188: ok 30140
188: ok 30141
188: ok 30142
188: ok 30143
188: ok 30144
188: ok 30145
188: ok 30146
188: ok 30147
188: ok 30148
188: ok 30149
188: ok 30150
188: ok 30151
188: ok 30152
188: ok 30153
188: ok 30154
188: ok 30155
188: ok 30156
188: ok 30157
188: ok 30158
188: ok 30159
188: ok 30160
188: ok 30161
188: ok 30162
188: ok 30163
188: ok 30164
188: ok 30165
188: ok 30166
188: ok 30167
188: ok 30168
188: ok 30169
188: ok 30170
188: ok 30171
188: ok 30172
188: ok 30173
188: ok 30174
188: ok 30175
188: ok 30176
188: ok 30177
188: ok 30178
188: ok 30179
188: ok 30180
188: ok 30181
188: ok 30182
188: ok 30183
188: ok 30184
188: ok 30185
188: ok 30186
188: ok 30187
188: ok 30188
188: ok 30189
188: ok 30190
188: ok 30191
188: ok 30192
188: ok 30193
188: ok 30194
188: ok 30195
188: ok 30196
188: ok 30197
188: ok 30198
188: ok 30199
188: ok 30200
188: ok 30201
188: ok 30202
188: ok 30203
188: ok 30204
188: ok 30205
188: ok 30206
188: ok 30207
188: ok 30208
188: ok 30209
188: ok 30210
188: ok 30211
188: ok 30212
188: ok 30213
188: ok 30214
188: ok 30215
188: ok 30216
188: ok 30217
188: ok 30218
188: ok 30219
188: ok 30220
188: ok 30221
188: ok 30222
188: ok 30223
188: ok 30224
188: ok 30225
188: ok 30226
188: ok 30227
188: ok 30228
188: ok 30229
188: ok 30230
188: ok 30231
188: ok 30232
188: ok 30233
188: ok 30234
188: ok 30235
188: ok 30236
188: ok 30237
188: ok 30238
188: ok 30239
188: ok 30240
188: ok 30241
188: ok 30242
188: ok 30243
188: ok 30244
188: ok 30245
188: ok 30246
188: ok 30247
188: ok 30248
188: ok 30249
188: ok 30250
188: ok 30251
188: ok 30252
188: ok 30253
188: ok 30254
188: ok 30255
188: ok 30256
188: ok 30257
188: ok 30258
188: ok 30259
188: ok 30260
188: ok 30261
188: ok 30262
188: ok 30263
188: ok 30264
188: ok 30265
188: ok 30266
188: ok 30267
188: ok 30268
188: ok 30269
188: ok 30270
188: ok 30271
188: ok 30272
188: ok 30273
188: ok 30274
188: ok 30275
188: ok 30276
188: ok 30277
188: ok 30278
188: ok 30279
188: ok 30280
188: ok 30281
188: ok 30282
188: ok 30283
188: ok 30284
188: ok 30285
188: ok 30286
188: ok 30287
188: ok 30288
188: ok 30289
188: ok 30290
188: ok 30291
188: ok 30292
188: ok 30293
188: ok 30294
188: ok 30295
188: ok 30296
188: ok 30297
188: ok 30298
188: ok 30299
188: ok 30300
188: ok 30301
188: ok 30302
188: ok 30303
188: ok 30304
188: ok 30305
188: ok 30306
188: ok 30307
188: ok 30308
188: ok 30309
188: ok 30310
188: ok 30311
188: ok 30312
188: ok 30313
188: ok 30314
188: ok 30315
188: ok 30316
188: ok 30317
188: ok 30318
188: ok 30319
188: ok 30320
188: ok 30321
188: ok 30322
188: ok 30323
188: ok 30324
188: ok 30325
188: ok 30326
188: ok 30327
188: ok 30328
188: ok 30329
188: ok 30330
188: ok 30331
188: ok 30332
188: ok 30333
188: ok 30334
188: ok 30335
188: ok 30336
188: ok 30337
188: ok 30338
188: ok 30339
188: ok 30340
188: ok 30341
188: ok 30342
188: ok 30343
188: ok 30344
188: ok 30345
188: ok 30346
188: ok 30347
188: ok 30348
188: ok 30349
188: ok 30350
188: ok 30351
188: ok 30352
188: ok 30353
188: ok 30354
188: ok 30355
188: ok 30356
188: ok 30357
188: ok 30358
188: ok 30359
188: ok 30360
188: ok 30361
188: ok 30362
188: ok 30363
188: ok 30364
188: ok 30365
188: ok 30366
188: ok 30367
188: ok 30368
188: ok 30369
188: ok 30370
188: ok 30371
188: ok 30372
188: ok 30373
188: ok 30374
188: ok 30375
188: ok 30376
188: ok 30377
188: ok 30378
188: ok 30379
188: ok 30380
188: ok 30381
188: ok 30382
188: ok 30383
188: ok 30384
188: ok 30385
188: ok 30386
188: ok 30387
188: ok 30388
188: ok 30389
188: ok 30390
188: ok 30391
188: ok 30392
188: ok 30393
188: ok 30394
188: ok 30395
188: ok 30396
188: ok 30397
188: ok 30398
188: ok 30399
188: ok 30400
188: ok 30401
188: ok 30402
188: ok 30403
188: ok 30404
188: ok 30405
188: ok 30406
188: ok 30407
188: ok 30408
188: ok 30409
188: ok 30410
188: ok 30411
188: ok 30412
188: ok 30413
188: ok 30414
188: ok 30415
188: ok 30416
188: ok 30417
188: ok 30418
188: ok 30419
188: ok 30420
188: ok 30421
188: ok 30422
188: ok 30423
188: ok 30424
188: ok 30425
188: ok 30426
188: ok 30427
188: ok 30428
188: ok 30429
188: ok 30430
188: ok 30431
188: ok 30432
188: ok 30433
188: ok 30434
188: ok 30435
188: ok 30436
188: ok 30437
188: ok 30438
188: ok 30439
188: ok 30440
188: ok 30441
188: ok 30442
188: ok 30443
188: ok 30444
188: ok 30445
188: ok 30446
188: ok 30447
188: ok 30448
188: ok 30449
188: ok 30450
188: ok 30451
188: ok 30452
188: ok 30453
188: ok 30454
188: ok 30455
188: ok 30456
188: ok 30457
188: ok 30458
188: ok 30459
188: ok 30460
188: ok 30461
188: ok 30462
188: ok 30463
188: ok 30464
188: ok 30465
188: ok 30466
188: ok 30467
188: ok 30468
188: ok 30469
188: ok 30470
188: ok 30471
188: ok 30472
188: ok 30473
188: ok 30474
188: ok 30475
188: ok 30476
188: ok 30477
188: ok 30478
188: ok 30479
188: ok 30480
188: ok 30481
188: ok 30482
188: ok 30483
188: ok 30484
188: ok 30485
188: ok 30486
188: ok 30487
188: ok 30488
188: ok 30489
188: ok 30490
188: ok 30491
188: ok 30492
188: ok 30493
188: ok 30494
188: ok 30495
188: ok 30496
188: ok 30497
188: ok 30498
188: ok 30499
188: ok 30500
188: ok 30501
188: ok 30502
188: ok 30503
188: ok 30504
188: ok 30505
188: ok 30506
188: ok 30507
188: ok 30508
188: ok 30509
188: ok 30510
188: ok 30511
188: ok 30512
188: ok 30513
188: ok 30514
188: ok 30515
188: ok 30516
188: ok 30517
188: ok 30518
188: ok 30519
188: ok 30520
188: ok 30521
188: ok 30522
188: ok 30523
188: ok 30524
188: ok 30525
188: ok 30526
188: ok 30527
188: ok 30528
188: ok 30529
188: ok 30530
188: ok 30531
188: ok 30532
188: ok 30533
188: ok 30534
188: ok 30535
188: ok 30536
188: ok 30537
188: ok 30538
188: ok 30539
188: ok 30540
188: ok 30541
188: ok 30542
188: ok 30543
188: ok 30544
188: ok 30545
188: ok 30546
188: ok 30547
188: ok 30548
188: ok 30549
188: ok 30550
188: ok 30551
188: ok 30552
188: ok 30553
188: ok 30554
188: ok 30555
188: ok 30556
188: ok 30557
188: ok 30558
188: ok 30559
188: ok 30560
188: ok 30561
188: ok 30562
188: ok 30563
188: ok 30564
188: ok 30565
188: ok 30566
188: ok 30567
188: ok 30568
188: ok 30569
188: ok 30570
188: ok 30571
188: ok 30572
188: ok 30573
188: ok 30574
188: ok 30575
188: ok 30576
188: ok 30577
188: ok 30578
188: ok 30579
188: ok 30580
188: ok 30581
188: ok 30582
188: ok 30583
188: ok 30584
188: ok 30585
188: ok 30586
188: ok 30587
188: ok 30588
188: ok 30589
188: ok 30590
188: ok 30591
188: ok 30592
188: ok 30593
188: ok 30594
188: ok 30595
188: ok 30596
188: ok 30597
188: ok 30598
188: ok 30599
188: ok 30600
188: ok 30601
188: ok 30602
188: ok 30603
188: ok 30604
188: ok 30605
188: ok 30606
188: ok 30607
188: ok 30608
188: ok 30609
188: ok 30610
188: ok 30611
188: ok 30612
188: ok 30613
188: ok 30614
188: ok 30615
188: ok 30616
188: ok 30617
188: ok 30618
188: ok 30619
188: ok 30620
188: ok 30621
188: ok 30622
188: ok 30623
188: ok 30624
188: ok 30625
188: ok 30626
188: ok 30627
188: ok 30628
188: ok 30629
188: ok 30630
188: ok 30631
188: ok 30632
188: ok 30633
188: ok 30634
188: ok 30635
188: ok 30636
188: ok 30637
188: ok 30638
188: ok 30639
188: ok 30640
188: ok 30641
188: ok 30642
188: ok 30643
188: ok 30644
188: ok 30645
188: ok 30646
188: ok 30647
188: ok 30648
188: ok 30649
188: ok 30650
188: ok 30651
188: ok 30652
188: ok 30653
188: ok 30654
188: ok 30655
188: ok 30656
188: ok 30657
188: ok 30658
188: ok 30659
188: ok 30660
188: ok 30661
188: ok 30662
188: ok 30663
188: ok 30664
188: ok 30665
188: ok 30666
188: ok 30667
188: ok 30668
188: ok 30669
188: ok 30670
188: ok 30671
188: ok 30672
188: ok 30673
188: ok 30674
188: ok 30675
188: ok 30676
188: ok 30677
188: ok 30678
188: ok 30679
188: ok 30680
188: ok 30681
188: ok 30682
188: ok 30683
188: ok 30684
188: ok 30685
188: ok 30686
188: ok 30687
188: ok 30688
188: ok 30689
188: ok 30690
188: ok 30691
188: ok 30692
188: ok 30693
188: ok 30694
188: ok 30695
188: ok 30696
188: ok 30697
188: ok 30698
188: ok 30699
188: ok 30700
188: ok 30701
188: ok 30702
188: ok 30703
188: ok 30704
188: ok 30705
188: ok 30706
188: ok 30707
188: ok 30708
188: ok 30709
188: ok 30710
188: ok 30711
188: ok 30712
188: ok 30713
188: ok 30714
188: ok 30715
188: ok 30716
188: ok 30717
188: ok 30718
188: ok 30719
188: ok 30720
188: ok 30721
188: ok 30722
188: ok 30723
188: ok 30724
188: ok 30725
188: ok 30726
188: ok 30727
188: ok 30728
188: ok 30729
188: ok 30730
188: ok 30731
188: ok 30732
188: ok 30733
188: ok 30734
188: ok 30735
188: ok 30736
188: ok 30737
188: ok 30738
188: ok 30739
188: ok 30740
188: ok 30741
188: ok 30742
188: ok 30743
188: ok 30744
188: ok 30745
188: ok 30746
188: ok 30747
188: ok 30748
188: ok 30749
188: ok 30750
188: ok 30751
188: ok 30752
188: ok 30753
188: ok 30754
188: ok 30755
188: ok 30756
188: ok 30757
188: ok 30758
188: ok 30759
188: ok 30760
188: ok 30761
188: ok 30762
188: ok 30763
188: ok 30764
188: ok 30765
188: ok 30766
188: ok 30767
188: ok 30768
188: ok 30769
188: ok 30770
188: ok 30771
188: ok 30772
188: ok 30773
188: ok 30774
188: ok 30775
188: ok 30776
188: ok 30777
188: ok 30778
188: ok 30779
188: ok 30780
188: ok 30781
188: ok 30782
188: ok 30783
188: ok 30784
188: ok 30785
188: ok 30786
188: ok 30787
188: ok 30788
188: ok 30789
188: ok 30790
188: ok 30791
188: ok 30792
188: ok 30793
188: ok 30794
188: ok 30795
188: ok 30796
188: ok 30797
188: ok 30798
188: ok 30799
188: ok 30800
188: ok 30801
188: ok 30802
188: ok 30803
188: ok 30804
188: ok 30805
188: ok 30806
188: ok 30807
188: ok 30808
188: ok 30809
188: ok 30810
188: ok 30811
188: ok 30812
188: ok 30813
188: ok 30814
188: ok 30815
188: ok 30816
188: ok 30817
188: ok 30818
188: ok 30819
188: ok 30820
188: ok 30821
188: ok 30822
188: ok 30823
188: ok 30824
188: ok 30825
188: ok 30826
188: ok 30827
188: ok 30828
188: ok 30829
188: ok 30830
188: ok 30831
188: ok 30832
188: ok 30833
188: ok 30834
188: ok 30835
188: ok 30836
188: ok 30837
188: ok 30838
188: ok 30839
188: ok 30840
188: ok 30841
188: ok 30842
188: ok 30843
188: ok 30844
188: ok 30845
188: ok 30846
188: ok 30847
188: ok 30848
188: ok 30849
188: ok 30850
188: ok 30851
188: ok 30852
188: ok 30853
188: ok 30854
188: ok 30855
188: ok 30856
188: ok 30857
188: ok 30858
188: ok 30859
188: ok 30860
188: ok 30861
188: ok 30862
188: ok 30863
188: ok 30864
188: ok 30865
188: ok 30866
188: ok 30867
188: ok 30868
188: ok 30869
188: ok 30870
188: ok 30871
188: ok 30872
188: ok 30873
188: ok 30874
188: ok 30875
188: ok 30876
188: ok 30877
188: ok 30878
188: ok 30879
188: ok 30880
188: ok 30881
188: ok 30882
188: ok 30883
188: ok 30884
188: ok 30885
188: ok 30886
188: ok 30887
188: ok 30888
188: ok 30889
188: ok 30890
188: ok 30891
188: ok 30892
188: ok 30893
188: ok 30894
188: ok 30895
188: ok 30896
188: ok 30897
188: ok 30898
188: ok 30899
188: ok 30900
188: ok 30901
188: ok 30902
188: ok 30903
188: ok 30904
188: ok 30905
188: ok 30906
188: ok 30907
188: ok 30908
188: ok 30909
188: ok 30910
188: ok 30911
188: ok 30912
188: ok 30913
188: ok 30914
188: ok 30915
188: ok 30916
188: ok 30917
188: ok 30918
188: ok 30919
188: ok 30920
188: ok 30921
188: ok 30922
188: ok 30923
188: ok 30924
188: ok 30925
188: ok 30926
188: ok 30927
188: ok 30928
188: ok 30929
188: ok 30930
188: ok 30931
188: ok 30932
188: ok 30933
188: ok 30934
188: ok 30935
188: ok 30936
188: ok 30937
188: ok 30938
188: ok 30939
188: ok 30940
188: ok 30941
188: ok 30942
188: ok 30943
188: ok 30944
188: ok 30945
188: ok 30946
188: ok 30947
188: ok 30948
188: ok 30949
188: ok 30950
188: ok 30951
188: ok 30952
188: ok 30953
188: ok 30954
188: ok 30955
188: ok 30956
188: ok 30957
188: ok 30958
188: ok 30959
188: ok 30960
188: ok 30961
188: ok 30962
188: ok 30963
188: ok 30964
188: ok 30965
188: ok 30966
188: ok 30967
188: ok 30968
188: ok 30969
188: ok 30970
188: ok 30971
188: ok 30972
188: ok 30973
188: ok 30974
188: ok 30975
188: ok 30976
188: ok 30977
188: ok 30978
188: ok 30979
188: ok 30980
188: ok 30981
188: ok 30982
188: ok 30983
188: ok 30984
188: ok 30985
188: ok 30986
188: ok 30987
188: ok 30988
188: ok 30989
188: ok 30990
188: ok 30991
188: ok 30992
188: ok 30993
188: ok 30994
188: ok 30995
188: ok 30996
188: ok 30997
188: ok 30998
188: ok 30999
188: ok 31000
188: ok 31001
188: ok 31002
188: ok 31003
188: ok 31004
188: ok 31005
188: ok 31006
188: ok 31007
188: ok 31008
188: ok 31009
188: ok 31010
188: ok 31011
188: ok 31012
188: ok 31013
188: ok 31014
188: ok 31015
188: ok 31016
188: ok 31017
188: ok 31018
188: ok 31019
188: ok 31020
188: ok 31021
188: ok 31022
188: ok 31023
188: ok 31024
188: ok 31025
188: ok 31026
188: ok 31027
188: ok 31028
188: ok 31029
188: ok 31030
188: ok 31031
188: ok 31032
188: ok 31033
188: ok 31034
188: ok 31035
188: ok 31036
188: ok 31037
188: ok 31038
188: ok 31039
188: ok 31040
188: ok 31041
188: ok 31042
188: ok 31043
188: ok 31044
188: ok 31045
188: ok 31046
188: ok 31047
188: ok 31048
188: ok 31049
188: ok 31050
188: ok 31051
188: ok 31052
188: ok 31053
188: ok 31054
188: ok 31055
188: ok 31056
188: ok 31057
188: ok 31058
188: ok 31059
188: ok 31060
188: ok 31061
188: ok 31062
188: ok 31063
188: ok 31064
188: ok 31065
188: ok 31066
188: ok 31067
188: ok 31068
188: ok 31069
188: ok 31070
188: ok 31071
188: ok 31072
188: ok 31073
188: ok 31074
188: ok 31075
188: ok 31076
188: ok 31077
188: ok 31078
188: ok 31079
188: ok 31080
188: ok 31081
188: ok 31082
188: ok 31083
188: ok 31084
188: ok 31085
188: ok 31086
188: ok 31087
188: ok 31088
188: ok 31089
188: ok 31090
188: ok 31091
188: ok 31092
188: ok 31093
188: ok 31094
188: ok 31095
188: ok 31096
188: ok 31097
188: ok 31098
188: ok 31099
188: ok 31100
188: ok 31101
188: ok 31102
188: ok 31103
188: ok 31104
188: ok 31105
188: ok 31106
188: ok 31107
188: ok 31108
188: ok 31109
188: ok 31110
188: ok 31111
188: ok 31112
188: ok 31113
188: ok 31114
188: ok 31115
188: ok 31116
188: ok 31117
188: ok 31118
188: ok 31119
188: ok 31120
188: ok 31121
188: ok 31122
188: ok 31123
188: ok 31124
188: ok 31125
188: ok 31126
188: ok 31127
188: ok 31128
188: ok 31129
188: ok 31130
188: ok 31131
188: ok 31132
188: ok 31133
188: ok 31134
188: ok 31135
188: ok 31136
188: ok 31137
188: ok 31138
188: ok 31139
188: ok 31140
188: ok 31141
188: ok 31142
188: ok 31143
188: ok 31144
188: ok 31145
188: ok 31146
188: ok 31147
188: ok 31148
188: ok 31149
188: ok 31150
188: ok 31151
188: ok 31152
188: ok 31153
188: ok 31154
188: ok 31155
188: ok 31156
188: ok 31157
188: ok 31158
188: ok 31159
188: ok 31160
188: ok 31161
188: ok 31162
188: ok 31163
188: ok 31164
188: ok 31165
188: ok 31166
188: ok 31167
188: ok 31168
188: ok 31169
188: ok 31170
188: ok 31171
188: ok 31172
188: ok 31173
188: ok 31174
188: ok 31175
188: ok 31176
188: ok 31177
188: ok 31178
188: ok 31179
188: ok 31180
188: ok 31181
188: ok 31182
188: ok 31183
188: ok 31184
188: ok 31185
188: ok 31186
188: ok 31187
188: ok 31188
188: ok 31189
188: ok 31190
188: ok 31191
188: ok 31192
188: ok 31193
188: ok 31194
188: ok 31195
188: ok 31196
188: ok 31197
188: ok 31198
188: ok 31199
188: ok 31200
188: ok 31201
188: ok 31202
188: ok 31203
188: ok 31204
188: ok 31205
188: ok 31206
188: ok 31207
188: ok 31208
188: ok 31209
188: ok 31210
188: ok 31211
188: ok 31212
188: ok 31213
188: ok 31214
188: ok 31215
188: ok 31216
188: ok 31217
188: ok 31218
188: ok 31219
188: ok 31220
188: ok 31221
188: ok 31222
188: ok 31223
188: ok 31224
188: ok 31225
188: ok 31226
188: ok 31227
188: ok 31228
188: ok 31229
188: ok 31230
188: ok 31231
188: ok 31232
188: ok 31233
188: ok 31234
188: ok 31235
188: ok 31236
188: ok 31237
188: ok 31238
188: ok 31239
188: ok 31240
188: ok 31241
188: ok 31242
188: ok 31243
188: ok 31244
188: ok 31245
188: ok 31246
188: ok 31247
188: ok 31248
188: ok 31249
188: ok 31250
188: ok 31251
188: ok 31252
188: ok 31253
188: ok 31254
188: ok 31255
188: ok 31256
188: ok 31257
188: ok 31258
188: ok 31259
188: ok 31260
188: ok 31261
188: ok 31262
188: ok 31263
188: ok 31264
188: ok 31265
188: ok 31266
188: ok 31267
188: ok 31268
188: ok 31269
188: ok 31270
188: ok 31271
188: ok 31272
188: ok 31273
188: ok 31274
188: ok 31275
188: ok 31276
188: ok 31277
188: ok 31278
188: ok 31279
188: ok 31280
188: ok 31281
188: ok 31282
188: ok 31283
188: ok 31284
188: ok 31285
188: ok 31286
188: ok 31287
188: ok 31288
188: ok 31289
188: ok 31290
188: ok 31291
188: ok 31292
188: ok 31293
188: ok 31294
188: ok 31295
188: ok 31296
188: ok 31297
188: ok 31298
188: ok 31299
188: ok 31300
188: ok 31301
188: ok 31302
188: ok 31303
188: ok 31304
188: ok 31305
188: ok 31306
188: ok 31307
188: ok 31308
188: ok 31309
188: ok 31310
188: ok 31311
188: ok 31312
188: ok 31313
188: ok 31314
188: ok 31315
188: ok 31316
188: ok 31317
188: ok 31318
188: ok 31319
188: ok 31320
188: ok 31321
188: ok 31322
188: ok 31323
188: ok 31324
188: ok 31325
188: ok 31326
188: ok 31327
188: ok 31328
188: ok 31329
188: ok 31330
188: ok 31331
188: ok 31332
188: ok 31333
188: ok 31334
188: ok 31335
188: ok 31336
188: ok 31337
188: ok 31338
188: ok 31339
188: ok 31340
188: ok 31341
188: ok 31342
188: ok 31343
188: ok 31344
188: ok 31345
188: ok 31346
188: ok 31347
188: ok 31348
188: ok 31349
188: ok 31350
188: ok 31351
188: ok 31352
188: ok 31353
188: ok 31354
188: ok 31355
188: ok 31356
188: ok 31357
188: ok 31358
188: ok 31359
188: ok 31360
188: ok 31361
188: ok 31362
188: ok 31363
188: ok 31364
188: ok 31365
188: ok 31366
188: ok 31367
188: ok 31368
188: ok 31369
188: ok 31370
188: ok 31371
188: ok 31372
188: ok 31373
188: ok 31374
188: ok 31375
188: ok 31376
188: ok 31377
188: ok 31378
188: ok 31379
188: ok 31380
188: ok 31381
188: ok 31382
188: ok 31383
188: ok 31384
188: ok 31385
188: ok 31386
188: ok 31387
188: ok 31388
188: ok 31389
188: ok 31390
188: ok 31391
188: ok 31392
188: ok 31393
188: ok 31394
188: ok 31395
188: ok 31396
188: ok 31397
188: ok 31398
188: ok 31399
188: ok 31400
188: ok 31401
188: ok 31402
188: ok 31403
188: ok 31404
188: ok 31405
188: ok 31406
188: ok 31407
188: ok 31408
188: ok 31409
188: ok 31410
188: ok 31411
188: ok 31412
188: ok 31413
188: ok 31414
188: ok 31415
188: ok 31416
188: ok 31417
188: ok 31418
188: ok 31419
188: ok 31420
188: ok 31421
188: ok 31422
188: ok 31423
188: ok 31424
188: ok 31425
188: ok 31426
188: ok 31427
188: ok 31428
188: ok 31429
188: ok 31430
188: ok 31431
188: ok 31432
188: ok 31433
188: ok 31434
188: ok 31435
188: ok 31436
188: ok 31437
188: ok 31438
188: ok 31439
188: ok 31440
188: ok 31441
188: ok 31442
188: ok 31443
188: ok 31444
188: ok 31445
188: ok 31446
188: ok 31447
188: ok 31448
188: ok 31449
188: ok 31450
188: ok 31451
188: ok 31452
188: ok 31453
188: ok 31454
188: ok 31455
188: ok 31456
188: ok 31457
188: ok 31458
188: ok 31459
188: ok 31460
188: ok 31461
188: ok 31462
188: ok 31463
188: ok 31464
188: ok 31465
188: ok 31466
188: ok 31467
188: ok 31468
188: ok 31469
188: ok 31470
188: ok 31471
188: ok 31472
188: ok 31473
188: ok 31474
188: ok 31475
188: ok 31476
188: ok 31477
188: ok 31478
188: ok 31479
188: ok 31480
188: ok 31481
188: ok 31482
188: ok 31483
188: ok 31484
188: ok 31485
188: ok 31486
188: ok 31487
188: ok 31488
188: ok 31489
188: ok 31490
188: ok 31491
188: ok 31492
188: ok 31493
188: ok 31494
188: ok 31495
188: ok 31496
188: ok 31497
188: ok 31498
188: ok 31499
188: ok 31500
188: ok 31501
188: ok 31502
188: ok 31503
188: ok 31504
188: ok 31505
188: ok 31506
188: ok 31507
188: ok 31508
188: ok 31509
188: ok 31510
188: ok 31511
188: ok 31512
188: ok 31513
188: ok 31514
188: ok 31515
188: ok 31516
188: ok 31517
188: ok 31518
188: ok 31519
188: ok 31520
188: ok 31521
188: ok 31522
188: ok 31523
188: ok 31524
188: ok 31525
188: ok 31526
188: ok 31527
188: ok 31528
188: ok 31529
188: ok 31530
188: ok 31531
188: ok 31532
188: ok 31533
188: ok 31534
188: ok 31535
188: ok 31536
188: ok 31537
188: ok 31538
188: ok 31539
188: ok 31540
188: ok 31541
188: ok 31542
188: ok 31543
188: ok 31544
188: ok 31545
188: ok 31546
188: ok 31547
188: ok 31548
188: ok 31549
188: ok 31550
188: ok 31551
188: ok 31552
188: ok 31553
188: ok 31554
188: ok 31555
188: ok 31556
188: ok 31557
188: ok 31558
188: ok 31559
188: ok 31560
188: ok 31561
188: ok 31562
188: ok 31563
188: ok 31564
188: ok 31565
188: ok 31566
188: ok 31567
188: ok 31568
188: ok 31569
188: ok 31570
188: ok 31571
188: ok 31572
188: ok 31573
188: ok 31574
188: ok 31575
188: ok 31576
188: ok 31577
188: ok 31578
188: ok 31579
188: ok 31580
188: ok 31581
188: ok 31582
188: ok 31583
188: ok 31584
188: ok 31585
188: ok 31586
188: ok 31587
188: ok 31588
188: ok 31589
188: ok 31590
188: ok 31591
188: ok 31592
188: ok 31593
188: ok 31594
188: ok 31595
188: ok 31596
188: ok 31597
188: ok 31598
188: ok 31599
188: ok 31600
188: ok 31601
188: ok 31602
188: ok 31603
188: ok 31604
188: ok 31605
188: ok 31606
188: ok 31607
188: ok 31608
188: ok 31609
188: ok 31610
188: ok 31611
188: ok 31612
188: ok 31613
188: ok 31614
188: ok 31615
188: ok 31616
188: ok 31617
188: ok 31618
188: ok 31619
188: ok 31620
188: ok 31621
188: ok 31622
188: ok 31623
188: ok 31624
188: ok 31625
188: ok 31626
188: ok 31627
188: ok 31628
188: ok 31629
188: ok 31630
188: ok 31631
188: ok 31632
188: ok 31633
188: ok 31634
188: ok 31635
188: ok 31636
188: ok 31637
188: ok 31638
188: ok 31639
188: ok 31640
188: ok 31641
188: ok 31642
188: ok 31643
188: ok 31644
188: ok 31645
188: ok 31646
188: ok 31647
188: ok 31648
188: ok 31649
188: ok 31650
188: ok 31651
188: ok 31652
188: ok 31653
188: ok 31654
188: ok 31655
188: ok 31656
188: ok 31657
188: ok 31658
188: ok 31659
188: ok 31660
188: ok 31661
188: ok 31662
188: ok 31663
188: ok 31664
188: ok 31665
188: ok 31666
188: ok 31667
188: ok 31668
188: ok 31669
188: ok 31670
188: ok 31671
188: ok 31672
188: ok 31673
188: ok 31674
188: ok 31675
188: ok 31676
188: ok 31677
188: ok 31678
188: ok 31679
188: ok 31680
188: ok 31681
188: ok 31682
188: ok 31683
188: ok 31684
188: ok 31685
188: ok 31686
188: ok 31687
188: ok 31688
188: ok 31689
188: ok 31690
188: ok 31691
188: ok 31692
188: ok 31693
188: ok 31694
188: ok 31695
188: ok 31696
188: ok 31697
188: ok 31698
188: ok 31699
188: ok 31700
188: ok 31701
188: ok 31702
188: ok 31703
188: ok 31704
188: ok 31705
188: ok 31706
188: ok 31707
188: ok 31708
188: ok 31709
188: ok 31710
188: ok 31711
188: ok 31712
188: ok 31713
188: ok 31714
188: ok 31715
188: ok 31716
188: ok 31717
188: ok 31718
188: ok 31719
188: ok 31720
188: ok 31721
188: ok 31722
188: ok 31723
188: ok 31724
188: ok 31725
188: ok 31726
188: ok 31727
188: ok 31728
188: ok 31729
188: ok 31730
188: ok 31731
188: ok 31732
188: ok 31733
188: ok 31734
188: ok 31735
188: ok 31736
188: ok 31737
188: ok 31738
188: ok 31739
188: ok 31740
188: ok 31741
188: ok 31742
188: ok 31743
188: ok 31744
188: ok 31745
188: ok 31746
188: ok 31747
188: ok 31748
188: ok 31749
188: ok 31750
188: ok 31751
188: ok 31752
188: ok 31753
188: ok 31754
188: ok 31755
188: ok 31756
188: ok 31757
188: ok 31758
188: ok 31759
188: ok 31760
188: ok 31761
188: ok 31762
188: ok 31763
188: ok 31764
188: ok 31765
188: ok 31766
188: ok 31767
188: ok 31768
188: ok 31769
188: ok 31770
188: ok 31771
188: ok 31772
188: ok 31773
188: ok 31774
188: ok 31775
188: ok 31776
188: ok 31777
188: ok 31778
188: ok 31779
188: ok 31780
188: ok 31781
188: ok 31782
188: ok 31783
188: ok 31784
188: ok 31785
188: ok 31786
188: ok 31787
188: ok 31788
188: ok 31789
188: ok 31790
188: ok 31791
188: ok 31792
188: ok 31793
188: ok 31794
188: ok 31795
188: ok 31796
188: ok 31797
188: ok 31798
188: ok 31799
188: ok 31800
188: ok 31801
188: ok 31802
188: ok 31803
188: ok 31804
188: ok 31805
188: ok 31806
188: ok 31807
188: ok 31808
188: ok 31809
188: ok 31810
188: ok 31811
188: ok 31812
188: ok 31813
188: ok 31814
188: ok 31815
188: ok 31816
188: ok 31817
188: ok 31818
188: ok 31819
188: ok 31820
188: ok 31821
188: ok 31822
188: ok 31823
188: ok 31824
188: ok 31825
188: ok 31826
188: ok 31827
188: ok 31828
188: ok 31829
188: ok 31830
188: ok 31831
188: ok 31832
188: ok 31833
188: ok 31834
188: ok 31835
188: ok 31836
188: ok 31837
188: ok 31838
188: ok 31839
188: ok 31840
188: ok 31841
188: ok 31842
188: ok 31843
188: ok 31844
188: ok 31845
188: ok 31846
188: ok 31847
188: ok 31848
188: ok 31849
188: ok 31850
188: ok 31851
188: ok 31852
188: ok 31853
188: ok 31854
188: ok 31855
188: ok 31856
188: ok 31857
188: ok 31858
188: ok 31859
188: ok 31860
188: ok 31861
188: ok 31862
188: ok 31863
188: ok 31864
188: ok 31865
188: ok 31866
188: ok 31867
188: ok 31868
188: ok 31869
188: ok 31870
188: ok 31871
188: ok 31872
188: ok 31873
188: ok 31874
188: ok 31875
188: ok 31876
188: ok 31877
188: ok 31878
188: ok 31879
188: ok 31880
188: ok 31881
188: ok 31882
188: ok 31883
188: ok 31884
188: ok 31885
188: ok 31886
188: ok 31887
188: ok 31888
188: ok 31889
188: ok 31890
188: ok 31891
188: ok 31892
188: ok 31893
188: ok 31894
188: ok 31895
188: ok 31896
188: ok 31897
188: ok 31898
188: ok 31899
188: ok 31900
188: ok 31901
188: ok 31902
188: ok 31903
188: ok 31904
188: ok 31905
188: ok 31906
188: ok 31907
188: ok 31908
188: ok 31909
188: ok 31910
188: ok 31911
188: ok 31912
188: ok 31913
188: ok 31914
188: ok 31915
188: ok 31916
188: ok 31917
188: ok 31918
188: ok 31919
188: ok 31920
188: ok 31921
188: ok 31922
188: ok 31923
188: ok 31924
188: ok 31925
188: ok 31926
188: ok 31927
188: ok 31928
188: ok 31929
188: ok 31930
188: ok 31931
188: ok 31932
188: ok 31933
188: ok 31934
188: ok 31935
188: ok 31936
188: ok 31937
188: ok 31938
188: ok 31939
188: ok 31940
188: ok 31941
188: ok 31942
188: ok 31943
188: ok 31944
188: ok 31945
188: ok 31946
188: ok 31947
188: ok 31948
188: ok 31949
188: ok 31950
188: ok 31951
188: ok 31952
188: ok 31953
188: ok 31954
188: ok 31955
188: ok 31956
188: ok 31957
188: ok 31958
188: ok 31959
188: ok 31960
188: ok 31961
188: ok 31962
188: ok 31963
188: ok 31964
188: ok 31965
188: ok 31966
188: ok 31967
188: ok 31968
188: ok 31969
188: ok 31970
188: ok 31971
188: ok 31972
188: ok 31973
188: ok 31974
188: ok 31975
188: ok 31976
188: ok 31977
188: ok 31978
188: ok 31979
188: ok 31980
188: ok 31981
188: ok 31982
188: ok 31983
188: ok 31984
188: ok 31985
188: ok 31986
188: ok 31987
188: ok 31988
188: ok 31989
188: ok 31990
188: ok 31991
188: ok 31992
188: ok 31993
188: ok 31994
188: ok 31995
188: ok 31996
188: ok 31997
188: ok 31998
188: ok 31999
188: ok 32000
188: ok 32001
188: ok 32002
188: ok 32003
188: ok 32004
188: ok 32005
188: ok 32006
188: ok 32007
188: ok 32008
188: ok 32009
188: ok 32010
188: ok 32011
188: ok 32012
188: ok 32013
188: ok 32014
188: ok 32015
188: ok 32016
188: ok 32017
188: ok 32018
188: ok 32019
188: ok 32020
188: ok 32021
188: ok 32022
188: ok 32023
188: ok 32024
188: ok 32025
188: ok 32026
188: ok 32027
188: ok 32028
188: ok 32029
188: ok 32030
188: ok 32031
188: ok 32032
188: ok 32033
188: ok 32034
188: ok 32035
188: ok 32036
188: ok 32037
188: ok 32038
188: ok 32039
188: ok 32040
188: ok 32041
188: ok 32042
188: ok 32043
188: ok 32044
188: ok 32045
188: ok 32046
188: ok 32047
188: ok 32048
188: ok 32049
188: ok 32050
188: ok 32051
188: ok 32052
188: ok 32053
188: ok 32054
188: ok 32055
188: ok 32056
188: ok 32057
188: ok 32058
188: ok 32059
188: ok 32060
188: ok 32061
188: ok 32062
188: ok 32063
188: ok 32064
188: ok 32065
188: ok 32066
188: ok 32067
188: ok 32068
188: ok 32069
188: ok 32070
188: ok 32071
188: ok 32072
188: ok 32073
188: ok 32074
188: ok 32075
188: ok 32076
188: ok 32077
188: ok 32078
188: ok 32079
188: ok 32080
188: ok 32081
188: ok 32082
188: ok 32083
188: ok 32084
188: ok 32085
188: ok 32086
188: ok 32087
188: ok 32088
188: ok 32089
188: ok 32090
188: ok 32091
188: ok 32092
188: ok 32093
188: ok 32094
188: ok 32095
188: ok 32096
188: ok 32097
188: ok 32098
188: ok 32099
188: ok 32100
188: ok 32101
188: ok 32102
188: ok 32103
188: ok 32104
188: ok 32105
188: ok 32106
188: ok 32107
188: ok 32108
188: ok 32109
188: ok 32110
188: ok 32111
188: ok 32112
188: ok 32113
188: ok 32114
188: ok 32115
188: ok 32116
188: ok 32117
188: ok 32118
188: ok 32119
188: ok 32120
188: ok 32121
188: ok 32122
188: ok 32123
188: ok 32124
188: ok 32125
188: ok 32126
188: ok 32127
188: ok 32128
188: ok 32129
188: ok 32130
188: ok 32131
188: ok 32132
188: ok 32133
188: ok 32134
188: ok 32135
188: ok 32136
188: ok 32137
188: ok 32138
188: ok 32139
188: ok 32140
188: ok 32141
188: ok 32142
188: ok 32143
188: ok 32144
188: ok 32145
188: ok 32146
188: ok 32147
188: ok 32148
188: ok 32149
188: ok 32150
188: ok 32151
188: ok 32152
188: ok 32153
188: ok 32154
188: ok 32155
188: ok 32156
188: ok 32157
188: ok 32158
188: ok 32159
188: ok 32160
188: ok 32161
188: ok 32162
188: ok 32163
188: ok 32164
188: ok 32165
188: ok 32166
188: ok 32167
188: ok 32168
188: ok 32169
188: ok 32170
188: ok 32171
188: ok 32172
188: ok 32173
188: ok 32174
188: ok 32175
188: ok 32176
188: ok 32177
188: ok 32178
188: ok 32179
188: ok 32180
188: ok 32181
188: ok 32182
188: ok 32183
188: ok 32184
188: ok 32185
188: ok 32186
188: ok 32187
188: ok 32188
188: ok 32189
188: ok 32190
188: ok 32191
188: ok 32192
188: ok 32193
188: ok 32194
188: ok 32195
188: ok 32196
188: ok 32197
188: ok 32198
188: ok 32199
188: ok 32200
188: ok 32201
188: ok 32202
188: ok 32203
188: ok 32204
188: ok 32205
188: ok 32206
188: ok 32207
188: ok 32208
188: ok 32209
188: ok 32210
188: ok 32211
188: ok 32212
188: ok 32213
188: ok 32214
188: ok 32215
188: ok 32216
188: ok 32217
188: ok 32218
188: ok 32219
188: ok 32220
188: ok 32221
188: ok 32222
188: ok 32223
188: ok 32224
188: ok 32225
188: ok 32226
188: ok 32227
188: ok 32228
188: ok 32229
188: ok 32230
188: ok 32231
188: ok 32232
188: ok 32233
188: ok 32234
188: ok 32235
188: ok 32236
188: ok 32237
188: ok 32238
188: ok 32239
188: ok 32240
188: ok 32241
188: ok 32242
188: ok 32243
188: ok 32244
188: ok 32245
188: ok 32246
188: ok 32247
188: ok 32248
188: ok 32249
188: ok 32250
188: ok 32251
188: ok 32252
188: ok 32253
188: ok 32254
188: ok 32255
188: ok 32256
188: ok 32257
188: ok 32258
188: ok 32259
188: ok 32260
188: ok 32261
188: ok 32262
188: ok 32263
188: ok 32264
188: ok 32265
188: ok 32266
188: ok 32267
188: ok 32268
188: ok 32269
188: ok 32270
188: ok 32271
188: ok 32272
188: ok 32273
188: ok 32274
188: ok 32275
188: ok 32276
188: ok 32277
188: ok 32278
188: ok 32279
188: ok 32280
188: ok 32281
188: ok 32282
188: ok 32283
188: ok 32284
188: ok 32285
188: ok 32286
188: ok 32287
188: ok 32288
188: ok 32289
188: ok 32290
188: ok 32291
188: ok 32292
188: ok 32293
188: ok 32294
188: ok 32295
188: ok 32296
188: ok 32297
188: ok 32298
188: ok 32299
188: ok 32300
188: ok 32301
188: ok 32302
188: ok 32303
188: ok 32304
188: ok 32305
188: ok 32306
188: ok 32307
188: ok 32308
188: ok 32309
188: ok 32310
188: ok 32311
188: ok 32312
188: ok 32313
188: ok 32314
188: ok 32315
188: ok 32316
188: ok 32317
188: ok 32318
188: ok 32319
188: ok 32320
188: ok 32321
188: ok 32322
188: ok 32323
188: ok 32324
188: ok 32325
188: ok 32326
188: ok 32327
188: ok 32328
188: ok 32329
188: ok 32330
188: ok 32331
188: ok 32332
188: ok 32333
188: ok 32334
188: ok 32335
188: ok 32336
188: ok 32337
188: ok 32338
188: ok 32339
188: ok 32340
188: ok 32341
188: ok 32342
188: ok 32343
188: ok 32344
188: ok 32345
188: ok 32346
188: ok 32347
188: ok 32348
188: ok 32349
188: ok 32350
188: ok 32351
188: ok 32352
188: ok 32353
188: ok 32354
188: ok 32355
188: ok 32356
188: ok 32357
188: ok 32358
188: ok 32359
188: ok 32360
188: ok 32361
188: ok 32362
188: ok 32363
188: ok 32364
188: ok 32365
188: ok 32366
188: ok 32367
188: ok 32368
188: ok 32369
188: ok 32370
188: ok 32371
188: ok 32372
188: ok 32373
188: ok 32374
188: ok 32375
188: ok 32376
188: ok 32377
188: ok 32378
188: ok 32379
188: ok 32380
188: ok 32381
188: ok 32382
188: ok 32383
188: ok 32384
188: ok 32385
188: ok 32386
188: ok 32387
188: ok 32388
188: ok 32389
188: ok 32390
188: ok 32391
188: ok 32392
188: ok 32393
188: ok 32394
188: ok 32395
188: ok 32396
188: ok 32397
188: ok 32398
188: ok 32399
188: ok 32400
188: ok 32401
188: ok 32402
188: ok 32403
188: ok 32404
188: ok 32405
188: ok 32406
188: ok 32407
188: ok 32408
188: ok 32409
188: ok 32410
188: ok 32411
188: ok 32412
188: ok 32413
188: ok 32414
188: ok 32415
188: ok 32416
188: ok 32417
188: ok 32418
188: ok 32419
188: ok 32420
188: ok 32421
188: ok 32422
188: ok 32423
188: ok 32424
188: ok 32425
188: ok 32426
188: ok 32427
188: ok 32428
188: ok 32429
188: ok 32430
188: ok 32431
188: ok 32432
188: ok 32433
188: ok 32434
188: ok 32435
188: ok 32436
188: ok 32437
188: ok 32438
188: ok 32439
188: ok 32440
188: ok 32441
188: ok 32442
188: ok 32443
188: ok 32444
188: ok 32445
188: ok 32446
188: ok 32447
188: ok 32448
188: ok 32449
188: ok 32450
188: ok 32451
188: ok 32452
188: ok 32453
188: ok 32454
188: ok 32455
188: ok 32456
188: ok 32457
188: ok 32458
188: ok 32459
188: ok 32460
188: ok 32461
188: ok 32462
188: ok 32463
188: ok 32464
188: ok 32465
188: ok 32466
188: ok 32467
188: ok 32468
188: ok 32469
188: ok 32470
188: ok 32471
188: ok 32472
188: ok 32473
188: ok 32474
188: ok 32475
188: ok 32476
188: ok 32477
188: ok 32478
188: ok 32479
188: ok 32480
188: ok 32481
188: ok 32482
188: ok 32483
188: ok 32484
188: ok 32485
188: ok 32486
188: ok 32487
188: ok 32488
188: ok 32489
188: ok 32490
188: ok 32491
188: ok 32492
188: ok 32493
188: ok 32494
188: ok 32495
188: ok 32496
188: ok 32497
188: ok 32498
188: ok 32499
188: ok 32500
188: ok 32501
188: ok 32502
188: ok 32503
188: ok 32504
188: ok 32505
188: ok 32506
188: ok 32507
188: ok 32508
188: ok 32509
188: ok 32510
188: ok 32511
188: ok 32512
188: ok 32513
188: ok 32514
188: ok 32515
188: ok 32516
188: ok 32517
188: ok 32518
188: ok 32519
188: ok 32520
188: ok 32521
188: ok 32522
188: ok 32523
188: ok 32524
188: ok 32525
188: ok 32526
188: ok 32527
188: ok 32528
188: ok 32529
188: ok 32530
188: ok 32531
188: ok 32532
188: ok 32533
188: ok 32534
188: ok 32535
188: ok 32536
188: ok 32537
188: ok 32538
188: ok 32539
188: ok 32540
188: ok 32541
188: ok 32542
188: ok 32543
188: ok 32544
188: ok 32545
188: ok 32546
188: ok 32547
188: ok 32548
188: ok 32549
188: ok 32550
188: ok 32551
188: ok 32552
188: ok 32553
188: ok 32554
188: ok 32555
188: ok 32556
188: ok 32557
188: ok 32558
188: ok 32559
188: ok 32560
188: ok 32561
188: ok 32562
188: ok 32563
188: ok 32564
188: ok 32565
188: ok 32566
188: ok 32567
188: ok 32568
188: ok 32569
188: ok 32570
188: ok 32571
188: ok 32572
188: ok 32573
188: ok 32574
188: ok 32575
188: ok 32576
188: ok 32577
188: ok 32578
188: ok 32579
188: ok 32580
188: ok 32581
188: ok 32582
188: ok 32583
188: ok 32584
188: ok 32585
188: ok 32586
188: ok 32587
188: ok 32588
188: ok 32589
188: ok 32590
188: ok 32591
188: ok 32592
188: ok 32593
188: ok 32594
188: ok 32595
188: ok 32596
188: ok 32597
188: ok 32598
188: ok 32599
188: ok 32600
188: ok 32601
188: ok 32602
188: ok 32603
188: ok 32604
188: ok 32605
188: ok 32606
188: ok 32607
188: ok 32608
188: ok 32609
188: ok 32610
188: ok 32611
188: ok 32612
188: ok 32613
188: ok 32614
188: ok 32615
188: ok 32616
188: ok 32617
188: ok 32618
188: ok 32619
188: ok 32620
188: ok 32621
188: ok 32622
188: ok 32623
188: ok 32624
188: ok 32625
188: ok 32626
188: ok 32627
188: ok 32628
188: ok 32629
188: ok 32630
188: ok 32631
188: ok 32632
188: ok 32633
188: ok 32634
188: ok 32635
188: ok 32636
188: ok 32637
188: ok 32638
188: ok 32639
188: ok 32640
188: ok 32641
188: ok 32642
188: ok 32643
188: ok 32644
188: ok 32645
188: ok 32646
188: ok 32647
188: ok 32648
188: ok 32649
188: ok 32650
188: ok 32651
188: ok 32652
188: ok 32653
188: ok 32654
188: ok 32655
188: ok 32656
188: ok 32657
188: ok 32658
188: ok 32659
188: ok 32660
188: ok 32661
188: ok 32662
188: ok 32663
188: ok 32664
188: ok 32665
188: ok 32666
188: ok 32667
188: ok 32668
188: ok 32669
188: ok 32670
188: ok 32671
188: ok 32672
188: ok 32673
188: ok 32674
188: ok 32675
188: ok 32676
188: ok 32677
188: ok 32678
188: ok 32679
188: ok 32680
188: ok 32681
188: ok 32682
188: ok 32683
188: ok 32684
188: ok 32685
188: ok 32686
188: ok 32687
188: ok 32688
188: ok 32689
188: ok 32690
188: ok 32691
188: ok 32692
188: ok 32693
188: ok 32694
188: ok 32695
188: ok 32696
188: ok 32697
188: ok 32698
188: ok 32699
188: ok 32700
188: ok 32701
188: ok 32702
188: ok 32703
188: ok 32704
188: ok 32705
188: ok 32706
188: ok 32707
188: ok 32708
188: ok 32709
188: ok 32710
188: ok 32711
188: ok 32712
188: ok 32713
188: ok 32714
188: ok 32715
188: ok 32716
188: ok 32717
188: ok 32718
188: ok 32719
188: ok 32720
188: ok 32721
188: ok 32722
188: ok 32723
188: ok 32724
188: ok 32725
188: ok 32726
188: ok 32727
188: ok 32728
188: ok 32729
188: ok 32730
188: ok 32731
188: ok 32732
188: ok 32733
188: ok 32734
188: ok 32735
188: ok 32736
188: ok 32737
188: ok 32738
188: ok 32739
188: ok 32740
188: ok 32741
188: ok 32742
188: ok 32743
188: ok 32744
188: ok 32745
188: ok 32746
188: ok 32747
188: ok 32748
188: ok 32749
188: ok 32750
188: ok 32751
188: ok 32752
188: ok 32753
188: ok 32754
188: ok 32755
188: ok 32756
188: ok 32757
188: ok 32758
188: ok 32759
188: ok 32760
188: ok 32761
188: ok 32762
188: ok 32763
188: ok 32764
188: ok 32765
188: ok 32766
188: ok 32767
188: ok 32768
188: ok 32769
188: ok 32770
188: ok 32771
188: ok 32772
188: ok 32773
188: ok 32774
188: ok 32775
188: ok 32776
188: ok 32777
188: ok 32778
188: ok 32779
188: ok 32780
188: ok 32781
188: ok 32782
188: ok 32783
188: ok 32784
188: ok 32785
188: ok 32786
188: ok 32787
188: ok 32788
188: ok 32789
188: ok 32790
188: ok 32791
188: ok 32792
188: ok 32793
188: ok 32794
188: ok 32795
188: ok 32796
188: ok 32797
188: ok 32798
188: ok 32799
188: ok 32800
188: ok 32801
188: ok 32802
188: ok 32803
188: ok 32804
188: ok 32805
188: ok 32806
188: ok 32807
188: ok 32808
188: ok 32809
188: ok 32810
188: ok 32811
188: ok 32812
188: ok 32813
188: ok 32814
188: ok 32815
188: ok 32816
188: ok 32817
188: ok 32818
188: ok 32819
188: ok 32820
188: ok 32821
188: ok 32822
188: ok 32823
188: ok 32824
188: ok 32825
188: ok 32826
188: ok 32827
188: ok 32828
188: ok 32829
188: ok 32830
188: ok 32831
188: ok 32832
188: ok 32833
188: ok 32834
188: ok 32835
188: ok 32836
188: ok 32837
188: ok 32838
188: ok 32839
188: ok 32840
188: ok 32841
188: ok 32842
188: ok 32843
188: ok 32844
188: ok 32845
188: ok 32846
188: ok 32847
188: ok 32848
188: ok 32849
188: ok 32850
188: ok 32851
188: ok 32852
188: ok 32853
188: ok 32854
188: ok 32855
188: ok 32856
188: ok 32857
188: ok 32858
188: ok 32859
188: ok 32860
188: ok 32861
188: ok 32862
188: ok 32863
188: ok 32864
188: ok 32865
188: ok 32866
188: ok 32867
188: ok 32868
188: ok 32869
188: ok 32870
188: ok 32871
188: ok 32872
188: ok 32873
188: ok 32874
188: ok 32875
188: ok 32876
188: ok 32877
188: ok 32878
188: ok 32879
188: ok 32880
188: ok 32881
188: ok 32882
188: ok 32883
188: ok 32884
188: ok 32885
188: ok 32886
188: ok 32887
188: ok 32888
188: ok 32889
188: ok 32890
188: ok 32891
188: ok 32892
188: ok 32893
188: ok 32894
188: ok 32895
188: ok 32896
188: ok 32897
188: ok 32898
188: ok 32899
188: ok 32900
188: ok 32901
188: ok 32902
188: ok 32903
188: ok 32904
188: ok 32905
188: ok 32906
188: ok 32907
188: ok 32908
188: ok 32909
188: ok 32910
188: ok 32911
188: ok 32912
188: ok 32913
188: ok 32914
188: ok 32915
188: ok 32916
188: ok 32917
188: ok 32918
188: ok 32919
188: ok 32920
188: ok 32921
188: ok 32922
188: ok 32923
188: ok 32924
188: ok 32925
188: ok 32926
188: ok 32927
188: ok 32928
188: ok 32929
188: ok 32930
188: ok 32931
188: ok 32932
188: ok 32933
188: ok 32934
188: ok 32935
188: ok 32936
188: ok 32937
188: ok 32938
188: ok 32939
188: ok 32940
188: ok 32941
188: ok 32942
188: ok 32943
188: ok 32944
188: ok 32945
188: ok 32946
188: ok 32947
188: ok 32948
188: ok 32949
188: ok 32950
188: ok 32951
188: ok 32952
188: ok 32953
188: ok 32954
188: ok 32955
188: ok 32956
188: ok 32957
188: ok 32958
188: ok 32959
188: ok 32960
188: ok 32961
188: ok 32962
188: ok 32963
188: ok 32964
188: ok 32965
188: ok 32966
188: ok 32967
188: ok 32968
188: ok 32969
188: ok 32970
188: ok 32971
188: ok 32972
188: ok 32973
188: ok 32974
188: ok 32975
188: ok 32976
188: ok 32977
188: ok 32978
188: ok 32979
188: ok 32980
188: ok 32981
188: ok 32982
188: ok 32983
188: ok 32984
188: ok 32985
188: ok 32986
188: ok 32987
188: ok 32988
188: ok 32989
188: ok 32990
188: ok 32991
188: ok 32992
188: ok 32993
188: ok 32994
188: ok 32995
188: ok 32996
188: ok 32997
188: ok 32998
188: ok 32999
188: ok 33000
188: ok 33001
188: ok 33002
188: ok 33003
188: ok 33004
188: ok 33005
188: ok 33006
188: ok 33007
188: ok 33008
188: ok 33009
188: ok 33010
188: ok 33011
188: ok 33012
188: ok 33013
188: ok 33014
188: ok 33015
188: ok 33016
188: ok 33017
188: ok 33018
188: ok 33019
188: ok 33020
188: ok 33021
188: ok 33022
188: ok 33023
188: ok 33024
188: ok 33025
188: ok 33026
188: ok 33027
188: ok 33028
188: ok 33029
188: ok 33030
188: ok 33031
188: ok 33032
188: ok 33033
188: ok 33034
188: ok 33035
188: ok 33036
188: ok 33037
188: ok 33038
188: ok 33039
188: ok 33040
188: ok 33041
188: ok 33042
188: ok 33043
188: ok 33044
188: ok 33045
188: ok 33046
188: ok 33047
188: ok 33048
188: ok 33049
188: ok 33050
188: ok 33051
188: ok 33052
188: ok 33053
188: ok 33054
188: ok 33055
188: ok 33056
188: ok 33057
188: ok 33058
188: ok 33059
188: ok 33060
188: ok 33061
188: ok 33062
188: ok 33063
188: ok 33064
188: ok 33065
188: ok 33066
188: ok 33067
188: ok 33068
188: ok 33069
188: ok 33070
188: ok 33071
188: ok 33072
188: ok 33073
188: ok 33074
188: ok 33075
188: ok 33076
188: ok 33077
188: ok 33078
188: ok 33079
188: ok 33080
188: ok 33081
188: ok 33082
188: ok 33083
188: ok 33084
188: ok 33085
188: ok 33086
188: ok 33087
188: ok 33088
188: ok 33089
188: ok 33090
188: ok 33091
188: ok 33092
188: ok 33093
188: ok 33094
188: ok 33095
188: ok 33096
188: ok 33097
188: ok 33098
188: ok 33099
188: ok 33100
188: ok 33101
188: ok 33102
188: ok 33103
188: ok 33104
188: ok 33105
188: ok 33106
188: ok 33107
188: ok 33108
188: ok 33109
188: ok 33110
188: ok 33111
188: ok 33112
188: ok 33113
188: ok 33114
188: ok 33115
188: ok 33116
188: ok 33117
188: ok 33118
188: ok 33119
188: ok 33120
188: ok 33121
188: ok 33122
188: ok 33123
188: ok 33124
188: ok 33125
188: ok 33126
188: ok 33127
188: ok 33128
188: ok 33129
188: ok 33130
188: ok 33131
188: ok 33132
188: ok 33133
188: ok 33134
188: ok 33135
188: ok 33136
188: ok 33137
188: ok 33138
188: ok 33139
188: ok 33140
188: ok 33141
188: ok 33142
188: ok 33143
188: ok 33144
188: ok 33145
188: ok 33146
188: ok 33147
188: ok 33148
188: ok 33149
188: ok 33150
188: ok 33151
188: ok 33152
188: ok 33153
188: ok 33154
188: ok 33155
188: ok 33156
188: ok 33157
188: ok 33158
188: ok 33159
188: ok 33160
188: ok 33161
188: ok 33162
188: ok 33163
188: ok 33164
188: ok 33165
188: ok 33166
188: ok 33167
188: ok 33168
188: ok 33169
188: ok 33170
188: ok 33171
188: ok 33172
188: ok 33173
188: ok 33174
188: ok 33175
188: ok 33176
188: ok 33177
188: ok 33178
188: ok 33179
188: ok 33180
188: ok 33181
188: ok 33182
188: ok 33183
188: ok 33184
188: ok 33185
188: ok 33186
188: ok 33187
188: ok 33188
188: ok 33189
188: ok 33190
188: ok 33191
188: ok 33192
188: ok 33193
188: ok 33194
188: ok 33195
188: ok 33196
188: ok 33197
188: ok 33198
188: ok 33199
188: ok 33200
188: ok 33201
188: ok 33202
188: ok 33203
188: ok 33204
188: ok 33205
188: ok 33206
188: ok 33207
188: ok 33208
188: ok 33209
188: ok 33210
188: ok 33211
188: ok 33212
188: ok 33213
188: ok 33214
188: ok 33215
188: ok 33216
188: ok 33217
188: ok 33218
188: ok 33219
188: ok 33220
188: ok 33221
188: ok 33222
188: ok 33223
188: ok 33224
188: ok 33225
188: ok 33226
188: ok 33227
188: ok 33228
188: ok 33229
188: ok 33230
188: ok 33231
188: ok 33232
188: ok 33233
188: ok 33234
188: ok 33235
188: ok 33236
188: ok 33237
188: ok 33238
188: ok 33239
188: ok 33240
188: ok 33241
188: ok 33242
188: ok 33243
188: ok 33244
188: ok 33245
188: ok 33246
188: ok 33247
188: ok 33248
188: ok 33249
188: ok 33250
188: ok 33251
188: ok 33252
188: ok 33253
188: ok 33254
188: ok 33255
188: ok 33256
188: ok 33257
188: ok 33258
188: ok 33259
188: ok 33260
188: ok 33261
188: ok 33262
188: ok 33263
188: ok 33264
188: ok 33265
188: ok 33266
188: ok 33267
188: ok 33268
188: ok 33269
188: ok 33270
188: ok 33271
188: ok 33272
188: ok 33273
188: ok 33274
188: ok 33275
188: ok 33276
188: ok 33277
188: ok 33278
188: ok 33279
188: ok 33280
188: ok 33281
188: ok 33282
188: ok 33283
188: ok 33284
188: ok 33285
188: ok 33286
188: ok 33287
188: ok 33288
188: ok 33289
188: ok 33290
188: ok 33291
188: ok 33292
188: ok 33293
188: ok 33294
188: ok 33295
188: ok 33296
188: ok 33297
188: ok 33298
188: ok 33299
188: ok 33300
188: ok 33301
188: ok 33302
188: ok 33303
188: ok 33304
188: ok 33305
188: ok 33306
188: ok 33307
188: ok 33308
188: ok 33309
188: ok 33310
188: ok 33311
188: ok 33312
188: ok 33313
188: ok 33314
188: ok 33315
188: ok 33316
188: ok 33317
188: ok 33318
188: ok 33319
188: ok 33320
188: ok 33321
188: ok 33322
188: ok 33323
188: ok 33324
188: ok 33325
188: ok 33326
188: ok 33327
188: ok 33328
188: ok 33329
188: ok 33330
188: ok 33331
188: ok 33332
188: ok 33333
188: ok 33334
188: ok 33335
188: ok 33336
188: ok 33337
188: ok 33338
188: ok 33339
188: ok 33340
188: ok 33341
188: ok 33342
188: ok 33343
188: ok 33344
188: ok 33345
188: ok 33346
188: ok 33347
188: ok 33348
188: ok 33349
188: ok 33350
188: ok 33351
188: ok 33352
188: ok 33353
188: ok 33354
188: ok 33355
188: ok 33356
188: ok 33357
188: ok 33358
188: ok 33359
188: ok 33360
188: ok 33361
188: ok 33362
188: ok 33363
188: ok 33364
188: ok 33365
188: ok 33366
188: ok 33367
188: ok 33368
188: ok 33369
188: ok 33370
188: ok 33371
188: ok 33372
188: ok 33373
188: ok 33374
188: ok 33375
188: ok 33376
188: ok 33377
188: ok 33378
188: ok 33379
188: ok 33380
188: ok 33381
188: ok 33382
188: ok 33383
188: ok 33384
188: ok 33385
188: ok 33386
188: ok 33387
188: ok 33388
188: ok 33389
188: ok 33390
188: ok 33391
188: ok 33392
188: ok 33393
188: ok 33394
188: ok 33395
188: ok 33396
188: ok 33397
188: ok 33398
188: ok 33399
188: ok 33400
188: ok 33401
188: ok 33402
188: ok 33403
188: ok 33404
188: ok 33405
188: ok 33406
188: ok 33407
188: ok 33408
188: ok 33409
188: ok 33410
188: ok 33411
188: ok 33412
188: ok 33413
188: ok 33414
188: ok 33415
188: ok 33416
188: ok 33417
188: ok 33418
188: ok 33419
188: ok 33420
188: ok 33421
188: ok 33422
188: ok 33423
188: ok 33424
188: ok 33425
188: ok 33426
188: ok 33427
188: ok 33428
188: ok 33429
188: ok 33430
188: ok 33431
188: ok 33432
188: ok 33433
188: ok 33434
188: ok 33435
188: ok 33436
188: ok 33437
188: ok 33438
188: ok 33439
188: ok 33440
188: ok 33441
188: ok 33442
188: ok 33443
188: ok 33444
188: ok 33445
188: ok 33446
188: ok 33447
188: ok 33448
188: ok 33449
188: ok 33450
188: ok 33451
188: ok 33452
188: ok 33453
188: ok 33454
188: ok 33455
188: ok 33456
188: ok 33457
188: ok 33458
188: ok 33459
188: ok 33460
188: ok 33461
188: ok 33462
188: ok 33463
188: ok 33464
188: ok 33465
188: ok 33466
188: ok 33467
188: ok 33468
188: ok 33469
188: ok 33470
188: ok 33471
188: ok 33472
188: ok 33473
188: ok 33474
188: ok 33475
188: ok 33476
188: ok 33477
188: ok 33478
188: ok 33479
188: ok 33480
188: ok 33481
188: ok 33482
188: ok 33483
188: ok 33484
188: ok 33485
188: ok 33486
188: ok 33487
188: ok 33488
188: ok 33489
188: ok 33490
188: ok 33491
188: ok 33492
188: ok 33493
188: ok 33494
188: ok 33495
188: ok 33496
188: ok 33497
188: ok 33498
188: ok 33499
188: ok 33500
188: ok 33501
188: ok 33502
188: ok 33503
188: ok 33504
188: ok 33505
188: ok 33506
188: ok 33507
188: ok 33508
188: ok 33509
188: ok 33510
188: ok 33511
188: ok 33512
188: ok 33513
188: ok 33514
188: ok 33515
188: ok 33516
188: ok 33517
188: ok 33518
188: ok 33519
188: ok 33520
188: ok 33521
188: ok 33522
188: ok 33523
188: ok 33524
188: ok 33525
188: ok 33526
188: ok 33527
188: ok 33528
188: ok 33529
188: ok 33530
188: ok 33531
188: ok 33532
188: ok 33533
188: ok 33534
188: ok 33535
188: ok 33536
188: ok 33537
188: ok 33538
188: ok 33539
188: ok 33540
188: ok 33541
188: ok 33542
188: ok 33543
188: ok 33544
188: ok 33545
188: ok 33546
188: ok 33547
188: ok 33548
188: ok 33549
188: ok 33550
188: ok 33551
188: ok 33552
188: ok 33553
188: ok 33554
188: ok 33555
188: ok 33556
188: ok 33557
188: ok 33558
188: ok 33559
188: ok 33560
188: ok 33561
188: ok 33562
188: ok 33563
188: ok 33564
188: ok 33565
188: ok 33566
188: ok 33567
188: ok 33568
188: ok 33569
188: ok 33570
188: ok 33571
188: ok 33572
188: ok 33573
188: ok 33574
188: ok 33575
188: ok 33576
188: ok 33577
188: ok 33578
188: ok 33579
188: ok 33580
188: ok 33581
188: ok 33582
188: ok 33583
188: ok 33584
188: ok 33585
188: ok 33586
188: ok 33587
188: ok 33588
188: ok 33589
188: ok 33590
188: ok 33591
188: ok 33592
188: ok 33593
188: ok 33594
188: ok 33595
188: ok 33596
188: ok 33597
188: ok 33598
188: ok 33599
188: ok 33600
188: ok 33601
188: ok 33602
188: ok 33603
188: ok 33604
188: ok 33605
188: ok 33606
188: ok 33607
188: ok 33608
188: ok 33609
188: ok 33610
188: ok 33611
188: ok 33612
188: ok 33613
188: ok 33614
188: ok 33615
188: ok 33616
188: ok 33617
188: ok 33618
188: ok 33619
188: ok 33620
188: ok 33621
188: ok 33622
188: ok 33623
188: ok 33624
188: ok 33625
188: ok 33626
188: ok 33627
188: ok 33628
188: ok 33629
188: ok 33630
188: ok 33631
188: ok 33632
188: ok 33633
188: ok 33634
188: ok 33635
188: ok 33636
188: ok 33637
188: ok 33638
188: ok 33639
188: ok 33640
188: ok 33641
188: ok 33642
188: ok 33643
188: ok 33644
188: ok 33645
188: ok 33646
188: ok 33647
188: ok 33648
188: ok 33649
188: ok 33650
188: ok 33651
188: ok 33652
188: ok 33653
188: ok 33654
188: ok 33655
188: ok 33656
188: ok 33657
188: ok 33658
188: ok 33659
188: ok 33660
188: ok 33661
188: ok 33662
188: ok 33663
188: ok 33664
188: ok 33665
188: ok 33666
188: ok 33667
188: ok 33668
188: ok 33669
188: ok 33670
188: ok 33671
188: ok 33672
188: ok 33673
188: ok 33674
188: ok 33675
188: ok 33676
188: ok 33677
188: ok 33678
188: ok 33679
188: ok 33680
188: ok 33681
188: ok 33682
188: ok 33683
188: ok 33684
188: ok 33685
188: ok 33686
188: ok 33687
188: ok 33688
188: ok 33689
188: ok 33690
188: ok 33691
188: ok 33692
188: ok 33693
188: ok 33694
188: ok 33695
188: ok 33696
188: ok 33697
188: ok 33698
188: ok 33699
188: ok 33700
188: ok 33701
188: ok 33702
188: ok 33703
188: ok 33704
188: ok 33705
188: ok 33706
188: ok 33707
188: ok 33708
188: ok 33709
188: ok 33710
188: ok 33711
188: ok 33712
188: ok 33713
188: ok 33714
188: ok 33715
188: ok 33716
188: ok 33717
188: ok 33718
188: ok 33719
188: ok 33720
188: ok 33721
188: ok 33722
188: ok 33723
188: ok 33724
188: ok 33725
188: ok 33726
188: ok 33727
188: ok 33728
188: ok 33729
188: ok 33730
188: ok 33731
188: ok 33732
188: ok 33733
188: ok 33734
188: ok 33735
188: ok 33736
188: ok 33737
188: ok 33738
188: ok 33739
188: ok 33740
188: ok 33741
188: ok 33742
188: ok 33743
188: ok 33744
188: ok 33745
188: ok 33746
188: ok 33747
188: ok 33748
188: ok 33749
188: ok 33750
188: ok 33751
188: ok 33752
188: ok 33753
188: ok 33754
188: ok 33755
188: ok 33756
188: ok 33757
188: ok 33758
188: ok 33759
188: ok 33760
188: ok 33761
188: ok 33762
188: ok 33763
188: ok 33764
188: ok 33765
188: ok 33766
188: ok 33767
188: ok 33768
188: ok 33769
188: ok 33770
188: ok 33771
188: ok 33772
188: ok 33773
188: ok 33774
188: ok 33775
188: ok 33776
188: ok 33777
188: ok 33778
188: ok 33779
188: ok 33780
188: ok 33781
188: ok 33782
188: ok 33783
188: ok 33784
188: ok 33785
188: ok 33786
188: ok 33787
188: ok 33788
188: ok 33789
188: ok 33790
188: ok 33791
188: ok 33792
188: ok 33793
188: ok 33794
188: ok 33795
188: ok 33796
188: ok 33797
188: ok 33798
188: ok 33799
188: ok 33800
188: ok 33801
188: ok 33802
188: ok 33803
188: ok 33804
188: ok 33805
188: ok 33806
188: ok 33807
188: ok 33808
188: ok 33809
188: ok 33810
188: ok 33811
188: ok 33812
188: ok 33813
188: ok 33814
188: ok 33815
188: ok 33816
188: ok 33817
188: ok 33818
188: ok 33819
188: ok 33820
188: ok 33821
188: ok 33822
188: ok 33823
188: ok 33824
188: ok 33825
188: ok 33826
188: ok 33827
188: ok 33828
188: ok 33829
188: ok 33830
188: ok 33831
188: ok 33832
188: ok 33833
188: ok 33834
188: ok 33835
188: ok 33836
188: ok 33837
188: ok 33838
188: ok 33839
188: ok 33840
188: ok 33841
188: ok 33842
188: ok 33843
188: ok 33844
188: ok 33845
188: ok 33846
188: ok 33847
188: ok 33848
188: ok 33849
188: ok 33850
188: ok 33851
188: ok 33852
188: ok 33853
188: ok 33854
188: ok 33855
188: ok 33856
188: ok 33857
188: ok 33858
188: ok 33859
188: ok 33860
188: ok 33861
188: ok 33862
188: ok 33863
188: ok 33864
188: ok 33865
188: ok 33866
188: ok 33867
188: ok 33868
188: ok 33869
188: ok 33870
188: ok 33871
188: ok 33872
188: ok 33873
188: ok 33874
188: ok 33875
188: ok 33876
188: ok 33877
188: ok 33878
188: ok 33879
188: ok 33880
188: ok 33881
188: ok 33882
188: ok 33883
188: ok 33884
188: ok 33885
188: ok 33886
188: ok 33887
188: ok 33888
188: ok 33889
188: ok 33890
188: ok 33891
188: ok 33892
188: ok 33893
188: ok 33894
188: ok 33895
188: ok 33896
188: ok 33897
188: ok 33898
188: ok 33899
188: ok 33900
188: ok 33901
188: ok 33902
188: ok 33903
188: ok 33904
188: ok 33905
188: ok 33906
188: ok 33907
188: ok 33908
188: ok 33909
188: ok 33910
188: ok 33911
188: ok 33912
188: ok 33913
188: ok 33914
188: ok 33915
188: ok 33916
188: ok 33917
188: ok 33918
188: ok 33919
188: ok 33920
188: ok 33921
188: ok 33922
188: ok 33923
188: ok 33924
188: ok 33925
188: ok 33926
188: ok 33927
188: ok 33928
188: ok 33929
188: ok 33930
188: ok 33931
188: ok 33932
188: ok 33933
188: ok 33934
188: ok 33935
188: ok 33936
188: ok 33937
188: ok 33938
188: ok 33939
188: ok 33940
188: ok 33941
188: ok 33942
188: ok 33943
188: ok 33944
188: ok 33945
188: ok 33946
188: ok 33947
188: ok 33948
188: ok 33949
188: ok 33950
188: ok 33951
188: ok 33952
188: ok 33953
188: ok 33954
188: ok 33955
188: ok 33956
188: ok 33957
188: ok 33958
188: ok 33959
188: ok 33960
188: ok 33961
188: ok 33962
188: ok 33963
188: ok 33964
188: ok 33965
188: ok 33966
188: ok 33967
188: ok 33968
188: ok 33969
188: ok 33970
188: ok 33971
188: ok 33972
188: ok 33973
188: ok 33974
188: ok 33975
188: ok 33976
188: ok 33977
188: ok 33978
188: ok 33979
188: ok 33980
188: ok 33981
188: ok 33982
188: ok 33983
188: ok 33984
188: ok 33985
188: ok 33986
188: ok 33987
188: ok 33988
188: ok 33989
188: ok 33990
188: ok 33991
188: ok 33992
188: ok 33993
188: ok 33994
188: ok 33995
188: ok 33996
188: ok 33997
188: ok 33998
188: ok 33999
188: ok 34000
188: ok 34001
188: ok 34002
188: ok 34003
188: ok 34004
188: ok 34005
188: ok 34006
188: ok 34007
188: ok 34008
188: ok 34009
188: ok 34010
188: ok 34011
188: ok 34012
188: ok 34013
188: ok 34014
188: ok 34015
188: ok 34016
188: ok 34017
188: ok 34018
188: ok 34019
188: ok 34020
188: ok 34021
188: ok 34022
188: ok 34023
188: ok 34024
188: ok 34025
188: ok 34026
188: ok 34027
188: ok 34028
188: ok 34029
188: ok 34030
188: ok 34031
188: ok 34032
188: ok 34033
188: ok 34034
188: ok 34035
188: ok 34036
188: ok 34037
188: ok 34038
188: ok 34039
188: ok 34040
188: ok 34041
188: ok 34042
188: ok 34043
188: ok 34044
188: ok 34045
188: ok 34046
188: ok 34047
188: ok 34048
188: ok 34049
188: ok 34050
188: ok 34051
188: ok 34052
188: ok 34053
188: ok 34054
188: ok 34055
188: ok 34056
188: ok 34057
188: ok 34058
188: ok 34059
188: ok 34060
188: ok 34061
188: ok 34062
188: ok 34063
188: ok 34064
188: ok 34065
188: ok 34066
188: ok 34067
188: ok 34068
188: ok 34069
188: ok 34070
188: ok 34071
188: ok 34072
188: ok 34073
188: ok 34074
188: ok 34075
188: ok 34076
188: ok 34077
188: ok 34078
188: ok 34079
188: ok 34080
188: ok 34081
188: ok 34082
188: ok 34083
188: ok 34084
188: ok 34085
188: ok 34086
188: ok 34087
188: ok 34088
188: ok 34089
188: ok 34090
188: ok 34091
188: ok 34092
188: ok 34093
188: ok 34094
188: ok 34095
188: ok 34096
188: ok 34097
188: ok 34098
188: ok 34099
188: ok 34100
188: ok 34101
188: ok 34102
188: ok 34103
188: ok 34104
188: ok 34105
188: ok 34106
188: ok 34107
188: ok 34108
188: ok 34109
188: ok 34110
188: ok 34111
188: ok 34112
188: ok 34113
188: ok 34114
188: ok 34115
188: ok 34116
188: ok 34117
188: ok 34118
188: ok 34119
188: ok 34120
188: ok 34121
188: ok 34122
188: ok 34123
188: ok 34124
188: ok 34125
188: ok 34126
188: ok 34127
188: ok 34128
188: ok 34129
188: ok 34130
188: ok 34131
188: ok 34132
188: ok 34133
188: ok 34134
188: ok 34135
188: ok 34136
188: ok 34137
188: ok 34138
188: ok 34139
188: ok 34140
188: ok 34141
188: ok 34142
188: ok 34143
188: ok 34144
188: ok 34145
188: ok 34146
188: ok 34147
188: ok 34148
188: ok 34149
188: ok 34150
188: ok 34151
188: ok 34152
188: ok 34153
188: ok 34154
188: ok 34155
188: ok 34156
188: ok 34157
188: ok 34158
188: ok 34159
188: ok 34160
188: ok 34161
188: ok 34162
188: ok 34163
188: ok 34164
188: ok 34165
188: ok 34166
188: ok 34167
188: ok 34168
188: ok 34169
188: ok 34170
188: ok 34171
188: ok 34172
188: ok 34173
188: ok 34174
188: ok 34175
188: ok 34176
188: ok 34177
188: ok 34178
188: ok 34179
188: ok 34180
188: ok 34181
188: ok 34182
188: ok 34183
188: ok 34184
188: ok 34185
188: ok 34186
188: ok 34187
188: ok 34188
188: ok 34189
188: ok 34190
188: ok 34191
188: ok 34192
188: ok 34193
188: ok 34194
188: ok 34195
188: ok 34196
188: ok 34197
188: ok 34198
188: ok 34199
188: ok 34200
188: ok 34201
188: ok 34202
188: ok 34203
188: ok 34204
188: ok 34205
188: ok 34206
188: ok 34207
188: ok 34208
188: ok 34209
188: ok 34210
188: ok 34211
188: ok 34212
188: ok 34213
188: ok 34214
188: ok 34215
188: ok 34216
188: ok 34217
188: ok 34218
188: ok 34219
188: ok 34220
188: ok 34221
188: ok 34222
188: ok 34223
188: ok 34224
188: ok 34225
188: ok 34226
188: ok 34227
188: ok 34228
188: ok 34229
188: ok 34230
188: ok 34231
188: ok 34232
188: ok 34233
188: ok 34234
188: ok 34235
188: ok 34236
188: ok 34237
188: ok 34238
188: ok 34239
188: ok 34240
188: ok 34241
188: ok 34242
188: ok 34243
188: ok 34244
188: ok 34245
188: ok 34246
188: ok 34247
188: ok 34248
188: ok 34249
188: ok 34250
188: ok 34251
188: ok 34252
188: ok 34253
188: ok 34254
188: ok 34255
188: ok 34256
188: ok 34257
188: ok 34258
188: ok 34259
188: ok 34260
188: ok 34261
188: ok 34262
188: ok 34263
188: ok 34264
188: ok 34265
188: ok 34266
188: ok 34267
188: ok 34268
188: ok 34269
188: ok 34270
188: ok 34271
188: ok 34272
188: ok 34273
188: ok 34274
188: ok 34275
188: ok 34276
188: ok 34277
188: ok 34278
188: ok 34279
188: ok 34280
188: ok 34281
188: ok 34282
188: ok 34283
188: ok 34284
188: ok 34285
188: ok 34286
188: ok 34287
188: ok 34288
188: ok 34289
188: ok 34290
188: ok 34291
188: ok 34292
188: ok 34293
188: ok 34294
188: ok 34295
188: ok 34296
188: ok 34297
188: ok 34298
188: ok 34299
188: ok 34300
188: ok 34301
188: ok 34302
188: ok 34303
188: ok 34304
188: ok 34305
188: ok 34306
188: ok 34307
188: ok 34308
188: ok 34309
188: ok 34310
188: ok 34311
188: ok 34312
188: ok 34313
188: ok 34314
188: ok 34315
188: ok 34316
188: ok 34317
188: ok 34318
188: ok 34319
188: ok 34320
188: ok 34321
188: ok 34322
188: ok 34323
188: ok 34324
188: ok 34325
188: ok 34326
188: ok 34327
188: ok 34328
188: ok 34329
188: ok 34330
188: ok 34331
188: ok 34332
188: ok 34333
188: ok 34334
188: ok 34335
188: ok 34336
188: ok 34337
188: ok 34338
188: ok 34339
188: ok 34340
188: ok 34341
188: ok 34342
188: ok 34343
188: ok 34344
188: ok 34345
188: ok 34346
188: ok 34347
188: ok 34348
188: ok 34349
188: ok 34350
188: ok 34351
188: ok 34352
188: ok 34353
188: ok 34354
188: ok 34355
188: ok 34356
188: ok 34357
188: ok 34358
188: ok 34359
188: ok 34360
188: ok 34361
188: ok 34362
188: ok 34363
188: ok 34364
188: ok 34365
188: ok 34366
188: ok 34367
188: ok 34368
188: ok 34369
188: ok 34370
188: ok 34371
188: ok 34372
188: ok 34373
188: ok 34374
188: ok 34375
188: ok 34376
188: ok 34377
188: ok 34378
188: ok 34379
188: ok 34380
188: ok 34381
188: ok 34382
188: ok 34383
188: ok 34384
188: ok 34385
188: ok 34386
188: ok 34387
188: ok 34388
188: ok 34389
188: ok 34390
188: ok 34391
188: ok 34392
188: ok 34393
188: ok 34394
188: ok 34395
188: ok 34396
188: ok 34397
188: ok 34398
188: ok 34399
188: ok 34400
188: ok 34401
188: ok 34402
188: ok 34403
188: ok 34404
188: ok 34405
188: ok 34406
188: ok 34407
188: ok 34408
188: ok 34409
188: ok 34410
188: ok 34411
188: ok 34412
188: ok 34413
188: ok 34414
188: ok 34415
188: ok 34416
188: ok 34417
188: ok 34418
188: ok 34419
188: ok 34420
188: ok 34421
188: ok 34422
188: ok 34423
188: ok 34424
188: ok 34425
188: ok 34426
188: ok 34427
188: ok 34428
188: ok 34429
188: ok 34430
188: ok 34431
188: ok 34432
188: ok 34433
188: ok 34434
188: ok 34435
188: ok 34436
188: ok 34437
188: ok 34438
188: ok 34439
188: ok 34440
188: ok 34441
188: ok 34442
188: ok 34443
188: ok 34444
188: ok 34445
188: ok 34446
188: ok 34447
188: ok 34448
188: ok 34449
188: ok 34450
188: ok 34451
188: ok 34452
188: ok 34453
188: ok 34454
188: ok 34455
188: ok 34456
188: ok 34457
188: ok 34458
188: ok 34459
188: ok 34460
188: ok 34461
188: ok 34462
188: ok 34463
188: ok 34464
188: ok 34465
188: ok 34466
188: ok 34467
188: ok 34468
188: ok 34469
188: ok 34470
188: ok 34471
188: ok 34472
188: ok 34473
188: ok 34474
188: ok 34475
188: ok 34476
188: ok 34477
188: ok 34478
188: ok 34479
188: ok 34480
188: ok 34481
188: ok 34482
188: ok 34483
188: ok 34484
188: ok 34485
188: ok 34486
188: ok 34487
188: ok 34488
188: ok 34489
188: ok 34490
188: ok 34491
188: ok 34492
188: ok 34493
188: ok 34494
188: ok 34495
188: ok 34496
188: ok 34497
188: ok 34498
188: ok 34499
188: ok 34500
188: ok 34501
188: ok 34502
188: ok 34503
188: ok 34504
188: ok 34505
188: ok 34506
188: ok 34507
188: ok 34508
188: ok 34509
188: ok 34510
188: ok 34511
188: ok 34512
188: ok 34513
188: ok 34514
188: ok 34515
188: ok 34516
188: ok 34517
188: ok 34518
188: ok 34519
188: ok 34520
188: ok 34521
188: ok 34522
188: ok 34523
188: ok 34524
188: ok 34525
188: ok 34526
188: ok 34527
188: ok 34528
188: ok 34529
188: ok 34530
188: ok 34531
188: ok 34532
188: ok 34533
188: ok 34534
188: ok 34535
188: ok 34536
188: ok 34537
188: ok 34538
188: ok 34539
188: ok 34540
188: ok 34541
188: ok 34542
188: ok 34543
188: ok 34544
188: ok 34545
188: ok 34546
188: ok 34547
188: ok 34548
188: ok 34549
188: ok 34550
188: ok 34551
188: ok 34552
188: ok 34553
188: ok 34554
188: ok 34555
188: ok 34556
188: ok 34557
188: ok 34558
188: ok 34559
188: ok 34560
188: ok 34561
188: ok 34562
188: ok 34563
188: ok 34564
188: ok 34565
188: ok 34566
188: ok 34567
188: ok 34568
188: ok 34569
188: ok 34570
188: ok 34571
188: ok 34572
188: ok 34573
188: ok 34574
188: ok 34575
188: ok 34576
188: ok 34577
188: ok 34578
188: ok 34579
188: ok 34580
188: ok 34581
188: ok 34582
188: ok 34583
188: ok 34584
188: ok 34585
188: ok 34586
188: ok 34587
188: ok 34588
188: ok 34589
188: ok 34590
188: ok 34591
188: ok 34592
188: ok 34593
188: ok 34594
188: ok 34595
188: ok 34596
188: ok 34597
188: ok 34598
188: ok 34599
188: ok 34600
188: ok 34601
188: ok 34602
188: ok 34603
188: ok 34604
188: ok 34605
188: ok 34606
188: ok 34607
188: ok 34608
188: ok 34609
188: ok 34610
188: ok 34611
188: ok 34612
188: ok 34613
188: ok 34614
188: ok 34615
188: ok 34616
188: ok 34617
188: ok 34618
188: ok 34619
188: ok 34620
188: ok 34621
188: ok 34622
188: ok 34623
188: ok 34624
188: ok 34625
188: ok 34626
188: ok 34627
188: ok 34628
188: ok 34629
188: ok 34630
188: ok 34631
188: ok 34632
188: ok 34633
188: ok 34634
188: ok 34635
188: ok 34636
188: ok 34637
188: ok 34638
188: ok 34639
188: ok 34640
188: ok 34641
188: ok 34642
188: ok 34643
188: ok 34644
188: ok 34645
188: ok 34646
188: ok 34647
188: ok 34648
188: ok 34649
188: ok 34650
188: ok 34651
188: ok 34652
188: ok 34653
188: ok 34654
188: ok 34655
188: ok 34656
188: ok 34657
188: ok 34658
188: ok 34659
188: ok 34660
188: ok 34661
188: ok 34662
188: ok 34663
188: ok 34664
188: ok 34665
188: ok 34666
188: ok 34667
188: ok 34668
188: ok 34669
188: ok 34670
188: ok 34671
188: ok 34672
188: ok 34673
188: ok 34674
188: ok 34675
188: ok 34676
188: ok 34677
188: ok 34678
188: ok 34679
188: ok 34680
188: ok 34681
188: ok 34682
188: ok 34683
188: ok 34684
188: ok 34685
188: ok 34686
188: ok 34687
188: ok 34688
188: ok 34689
188: ok 34690
188: ok 34691
188: ok 34692
188: ok 34693
188: ok 34694
188: ok 34695
188: ok 34696
188: ok 34697
188: ok 34698
188: ok 34699
188: ok 34700
188: ok 34701
188: ok 34702
188: ok 34703
188: ok 34704
188: ok 34705
188: ok 34706
188: ok 34707
188: ok 34708
188: ok 34709
188: ok 34710
188: ok 34711
188: ok 34712
188: ok 34713
188: ok 34714
188: ok 34715
188: ok 34716
188: ok 34717
188: ok 34718
188: ok 34719
188: ok 34720
188: ok 34721
188: ok 34722
188: ok 34723
188: ok 34724
188: ok 34725
188: ok 34726
188: ok 34727
188: ok 34728
188: ok 34729
188: ok 34730
188: ok 34731
188: ok 34732
188: ok 34733
188: ok 34734
188: ok 34735
188: ok 34736
188: ok 34737
188: ok 34738
188: ok 34739
188: ok 34740
188: ok 34741
188: ok 34742
188: ok 34743
188: ok 34744
188: ok 34745
188: ok 34746
188: ok 34747
188: ok 34748
188: ok 34749
188: ok 34750
188: ok 34751
188: ok 34752
188: ok 34753
188: ok 34754
188: ok 34755
188: ok 34756
188: ok 34757
188: ok 34758
188: ok 34759
188: ok 34760
188: ok 34761
188: ok 34762
188: ok 34763
188: ok 34764
188: ok 34765
188: ok 34766
188: ok 34767
188: ok 34768
188: ok 34769
188: ok 34770
188: ok 34771
188: ok 34772
188: ok 34773
188: ok 34774
188: ok 34775
188: ok 34776
188: ok 34777
188: ok 34778
188: ok 34779
188: ok 34780
188: ok 34781
188: ok 34782
188: ok 34783
188: ok 34784
188: ok 34785
188: ok 34786
188: ok 34787
188: ok 34788
188: ok 34789
188: ok 34790
188: ok 34791
188: ok 34792
188: ok 34793
188: ok 34794
188: ok 34795
188: ok 34796
188: ok 34797
188: ok 34798
188: ok 34799
188: ok 34800
188: ok 34801
188: ok 34802
188: ok 34803
188: ok 34804
188: ok 34805
188: ok 34806
188: ok 34807
188: ok 34808
188: ok 34809
188: ok 34810
188: ok 34811
188: ok 34812
188: ok 34813
188: ok 34814
188: ok 34815
188: ok 34816
188: ok 34817
188: ok 34818
188: ok 34819
188: ok 34820
188: ok 34821
188: ok 34822
188: ok 34823
188: ok 34824
188: ok 34825
188: ok 34826
188: ok 34827
188: ok 34828
188: ok 34829
188: ok 34830
188: ok 34831
188: ok 34832
188: ok 34833
188: ok 34834
188: ok 34835
188: ok 34836
188: ok 34837
188: ok 34838
188: ok 34839
188: ok 34840
188: ok 34841
188: ok 34842
188: ok 34843
188: ok 34844
188: ok 34845
188: ok 34846
188: ok 34847
188: ok 34848
188: ok 34849
188: ok 34850
188: ok 34851
188: ok 34852
188: ok 34853
188: ok 34854
188: ok 34855
188: ok 34856
188: ok 34857
188: ok 34858
188: ok 34859
188: ok 34860
188: ok 34861
188: ok 34862
188: ok 34863
188: ok 34864
188: ok 34865
188: ok 34866
188: ok 34867
188: ok 34868
188: ok 34869
188: ok 34870
188: ok 34871
188: ok 34872
188: ok 34873
188: ok 34874
188: ok 34875
188: ok 34876
188: ok 34877
188: ok 34878
188: ok 34879
188: ok 34880
188: ok 34881
188: ok 34882
188: ok 34883
188: ok 34884
188: ok 34885
188: ok 34886
188: ok 34887
188: ok 34888
188: ok 34889
188: ok 34890
188: ok 34891
188: ok 34892
188: ok 34893
188: ok 34894
188: ok 34895
188: ok 34896
188: ok 34897
188: ok 34898
188: ok 34899
188: ok 34900
188: ok 34901
188: ok 34902
188: ok 34903
188: ok 34904
188: ok 34905
188: ok 34906
188: ok 34907
188: ok 34908
188: ok 34909
188: ok 34910
188: ok 34911
188: ok 34912
188: ok 34913
188: ok 34914
188: ok 34915
188: ok 34916
188: ok 34917
188: ok 34918
188: ok 34919
188: ok 34920
188: ok 34921
188: ok 34922
188: ok 34923
188: ok 34924
188: ok 34925
188: ok 34926
188: ok 34927
188: ok 34928
188: ok 34929
188: ok 34930
188: ok 34931
188: ok 34932
188: ok 34933
188: ok 34934
188: ok 34935
188: ok 34936
188: ok 34937
188: ok 34938
188: ok 34939
188: ok 34940
188: ok 34941
188: ok 34942
188: ok 34943
188: ok 34944
188: ok 34945
188: ok 34946
188: ok 34947
188: ok 34948
188: ok 34949
188: ok 34950
188: ok 34951
188: ok 34952
188: ok 34953
188: ok 34954
188: ok 34955
188: ok 34956
188: ok 34957
188: ok 34958
188: ok 34959
188: ok 34960
188: ok 34961
188: ok 34962
188: ok 34963
188: ok 34964
188: ok 34965
188: ok 34966
188: ok 34967
188: ok 34968
188: ok 34969
188: ok 34970
188: ok 34971
188: ok 34972
188: ok 34973
188: ok 34974
188: ok 34975
188: ok 34976
188: ok 34977
188: ok 34978
188: ok 34979
188: ok 34980
188: ok 34981
188: ok 34982
188: ok 34983
188: ok 34984
188: ok 34985
188: ok 34986
188: ok 34987
188: ok 34988
188: ok 34989
188: ok 34990
188: ok 34991
188: ok 34992
188: ok 34993
188: ok 34994
188: ok 34995
188: ok 34996
188: ok 34997
188: ok 34998
188: ok 34999
188: ok 35000
188: ok 35001
188: ok 35002
188: ok 35003
188: ok 35004
188: ok 35005
188: ok 35006
188: ok 35007
188: ok 35008
188: ok 35009
188: ok 35010
188: ok 35011
188: ok 35012
188: ok 35013
188: ok 35014
188: ok 35015
188: ok 35016
188: ok 35017
188: ok 35018
188: ok 35019
188: ok 35020
188: ok 35021
188: ok 35022
188: ok 35023
188: ok 35024
188: ok 35025
188: ok 35026
188: ok 35027
188: ok 35028
188: ok 35029
188: ok 35030
188: ok 35031
188: ok 35032
188: ok 35033
188: ok 35034
188: ok 35035
188: ok 35036
188: ok 35037
188: ok 35038
188: ok 35039
188: ok 35040
188: ok 35041
188: ok 35042
188: ok 35043
188: ok 35044
188: ok 35045
188: ok 35046
188: ok 35047
188: ok 35048
188: ok 35049
188: ok 35050
188: ok 35051
188: ok 35052
188: ok 35053
188: ok 35054
188: ok 35055
188: ok 35056
188: ok 35057
188: ok 35058
188: ok 35059
188: ok 35060
188: ok 35061
188: ok 35062
188: ok 35063
188: ok 35064
188: ok 35065
188: ok 35066
188: ok 35067
188: ok 35068
188: ok 35069
188: ok 35070
188: ok 35071
188: ok 35072
188: ok 35073
188: ok 35074
188: ok 35075
188: ok 35076
188: ok 35077
188: ok 35078
188: ok 35079
188: ok 35080
188: ok 35081
188: ok 35082
188: ok 35083
188: ok 35084
188: ok 35085
188: ok 35086
188: ok 35087
188: ok 35088
188: ok 35089
188: ok 35090
188: ok 35091
188: ok 35092
188: ok 35093
188: ok 35094
188: ok 35095
188: ok 35096
188: ok 35097
188: ok 35098
188: ok 35099
188: ok 35100
188: ok 35101
188: ok 35102
188: ok 35103
188: ok 35104
188: ok 35105
188: ok 35106
188: ok 35107
188: ok 35108
188: ok 35109
188: ok 35110
188: ok 35111
188: ok 35112
188: ok 35113
188: ok 35114
188: ok 35115
188: ok 35116
188: ok 35117
188: ok 35118
188: ok 35119
188: ok 35120
188: ok 35121
188: ok 35122
188: ok 35123
188: ok 35124
188: ok 35125
188: ok 35126
188: ok 35127
188: ok 35128
188: ok 35129
188: ok 35130
188: ok 35131
188: ok 35132
188: ok 35133
188: ok 35134
188: ok 35135
188: ok 35136
188: ok 35137
188: ok 35138
188: ok 35139
188: ok 35140
188: ok 35141
188: ok 35142
188: ok 35143
188: ok 35144
188: ok 35145
188: ok 35146
188: ok 35147
188: ok 35148
188: ok 35149
188: ok 35150
188: ok 35151
188: ok 35152
188: ok 35153
188: ok 35154
188: ok 35155
188: ok 35156
188: ok 35157
188: ok 35158
188: ok 35159
188: ok 35160
188: ok 35161
188: ok 35162
188: ok 35163
188: ok 35164
188: ok 35165
188: ok 35166
188: ok 35167
188: ok 35168
188: ok 35169
188: ok 35170
188: ok 35171
188: ok 35172
188: ok 35173
188: ok 35174
188: ok 35175
188: ok 35176
188: ok 35177
188: ok 35178
188: ok 35179
188: ok 35180
188: ok 35181
188: ok 35182
188: ok 35183
188: ok 35184
188: ok 35185
188: ok 35186
188: ok 35187
188: ok 35188
188: ok 35189
188: ok 35190
188: ok 35191
188: ok 35192
188: ok 35193
188: ok 35194
188: ok 35195
188: ok 35196
188: ok 35197
188: ok 35198
188: ok 35199
188: ok 35200
188: ok 35201
188: ok 35202
188: ok 35203
188: ok 35204
188: ok 35205
188: ok 35206
188: ok 35207
188: ok 35208
188: ok 35209
188: ok 35210
188: ok 35211
188: ok 35212
188: ok 35213
188: ok 35214
188: ok 35215
188: ok 35216
188: ok 35217
188: ok 35218
188: ok 35219
188: ok 35220
188: ok 35221
188: ok 35222
188: ok 35223
188: ok 35224
188: ok 35225
188: ok 35226
188: ok 35227
188: ok 35228
188: ok 35229
188: ok 35230
188: ok 35231
188: ok 35232
188: ok 35233
188: ok 35234
188: ok 35235
188: ok 35236
188: ok 35237
188: ok 35238
188: ok 35239
188: ok 35240
188: ok 35241
188: ok 35242
188: ok 35243
188: ok 35244
188: ok 35245
188: ok 35246
188: ok 35247
188: ok 35248
188: ok 35249
188: ok 35250
188: ok 35251
188: ok 35252
188: ok 35253
188: ok 35254
188: ok 35255
188: ok 35256
188: ok 35257
188: ok 35258
188: ok 35259
188: ok 35260
188: ok 35261
188: ok 35262
188: ok 35263
188: ok 35264
188: ok 35265
188: ok 35266
188: ok 35267
188: ok 35268
188: ok 35269
188: ok 35270
188: ok 35271
188: ok 35272
188: ok 35273
188: ok 35274
188: ok 35275
188: ok 35276
188: ok 35277
188: ok 35278
188: ok 35279
188: ok 35280
188: ok 35281
188: ok 35282
188: ok 35283
188: ok 35284
188: ok 35285
188: ok 35286
188: ok 35287
188: ok 35288
188: ok 35289
188: ok 35290
188: ok 35291
188: ok 35292
188: ok 35293
188: ok 35294
188: ok 35295
188: ok 35296
188: ok 35297
188: ok 35298
188: ok 35299
188: ok 35300
188: ok 35301
188: ok 35302
188: ok 35303
188: ok 35304
188: ok 35305
188: ok 35306
188: ok 35307
188: ok 35308
188: ok 35309
188: ok 35310
188: ok 35311
188: ok 35312
188: ok 35313
188: ok 35314
188: ok 35315
188: ok 35316
188: ok 35317
188: ok 35318
188: ok 35319
188: ok 35320
188: ok 35321
188: ok 35322
188: ok 35323
188: ok 35324
188: ok 35325
188: ok 35326
188: ok 35327
188: ok 35328
188: ok 35329
188: ok 35330
188: ok 35331
188: ok 35332
188: ok 35333
188: ok 35334
188: ok 35335
188: ok 35336
188: ok 35337
188: ok 35338
188: ok 35339
188: ok 35340
188: ok 35341
188: ok 35342
188: ok 35343
188: ok 35344
188: ok 35345
188: ok 35346
188: ok 35347
188: ok 35348
188: ok 35349
188: ok 35350
188: ok 35351
188: ok 35352
188: ok 35353
188: ok 35354
188: ok 35355
188: ok 35356
188: ok 35357
188: ok 35358
188: ok 35359
188: ok 35360
188: ok 35361
188: ok 35362
188: ok 35363
188: ok 35364
188: ok 35365
188: ok 35366
188: ok 35367
188: ok 35368
188: ok 35369
188: ok 35370
188: ok 35371
188: ok 35372
188: ok 35373
188: ok 35374
188: ok 35375
188: ok 35376
188: ok 35377
188: ok 35378
188: ok 35379
188: ok 35380
188: ok 35381
188: ok 35382
188: ok 35383
188: ok 35384
188: ok 35385
188: ok 35386
188: ok 35387
188: ok 35388
188: ok 35389
188: ok 35390
188: ok 35391
188: ok 35392
188: ok 35393
188: ok 35394
188: ok 35395
188: ok 35396
188: ok 35397
188: ok 35398
188: ok 35399
188: ok 35400
188: ok 35401
188: ok 35402
188: ok 35403
188: ok 35404
188: ok 35405
188: ok 35406
188: ok 35407
188: ok 35408
188: ok 35409
188: ok 35410
188: ok 35411
188: ok 35412
188: ok 35413
188: ok 35414
188: ok 35415
188: ok 35416
188: ok 35417
188: ok 35418
188: ok 35419
188: ok 35420
188: ok 35421
188: ok 35422
188: ok 35423
188: ok 35424
188: ok 35425
188: ok 35426
188: ok 35427
188: ok 35428
188: ok 35429
188: ok 35430
188: ok 35431
188: ok 35432
188: ok 35433
188: ok 35434
188: ok 35435
188: ok 35436
188: ok 35437
188: ok 35438
188: ok 35439
188: ok 35440
188: ok 35441
188: ok 35442
188: ok 35443
188: ok 35444
188: ok 35445
188: ok 35446
188: ok 35447
188: ok 35448
188: ok 35449
188: ok 35450
188: ok 35451
188: ok 35452
188: ok 35453
188: ok 35454
188: ok 35455
188: ok 35456
188: ok 35457
188: ok 35458
188: ok 35459
188: ok 35460
188: ok 35461
188: ok 35462
188: ok 35463
188: ok 35464
188: ok 35465
188: ok 35466
188: ok 35467
188: ok 35468
188: ok 35469
188: ok 35470
188: ok 35471
188: ok 35472
188: ok 35473
188: ok 35474
188: ok 35475
188: ok 35476
188: ok 35477
188: ok 35478
188: ok 35479
188: ok 35480
188: ok 35481
188: ok 35482
188: ok 35483
188: ok 35484
188: ok 35485
188: ok 35486
188: ok 35487
188: ok 35488
188: ok 35489
188: ok 35490
188: ok 35491
188: ok 35492
188: ok 35493
188: ok 35494
188: ok 35495
188: ok 35496
188: ok 35497
188: ok 35498
188: ok 35499
188: ok 35500
188: ok 35501
188: ok 35502
188: ok 35503
188: ok 35504
188: ok 35505
188: ok 35506
188: ok 35507
188: ok 35508
188: ok 35509
188: ok 35510
188: ok 35511
188: ok 35512
188: ok 35513
188: ok 35514
188: ok 35515
188: ok 35516
188: ok 35517
188: ok 35518
188: ok 35519
188: ok 35520
188: ok 35521
188: ok 35522
188: ok 35523
188: ok 35524
188: ok 35525
188: ok 35526
188: ok 35527
188: ok 35528
188: ok 35529
188: ok 35530
188: ok 35531
188: ok 35532
188: ok 35533
188: ok 35534
188: ok 35535
188: ok 35536
188: ok 35537
188: ok 35538
188: ok 35539
188: ok 35540
188: ok 35541
188: ok 35542
188: ok 35543
188: ok 35544
188: ok 35545
188: ok 35546
188: ok 35547
188: ok 35548
188: ok 35549
188: ok 35550
188: ok 35551
188: ok 35552
188: ok 35553
188: ok 35554
188: ok 35555
188: ok 35556
188: ok 35557
188: ok 35558
188: ok 35559
188: ok 35560
188: ok 35561
188: ok 35562
188: ok 35563
188: ok 35564
188: ok 35565
188: ok 35566
188: ok 35567
188: ok 35568
188: ok 35569
188: ok 35570
188: ok 35571
188: ok 35572
188: ok 35573
188: ok 35574
188: ok 35575
188: ok 35576
188: ok 35577
188: ok 35578
188: ok 35579
188: ok 35580
188: ok 35581
188: ok 35582
188: ok 35583
188: ok 35584
188: ok 35585
188: ok 35586
188: ok 35587
188: ok 35588
188: ok 35589
188: ok 35590
188: ok 35591
188: ok 35592
188: ok 35593
188: ok 35594
188: ok 35595
188: ok 35596
188: ok 35597
188: ok 35598
188: ok 35599
188: ok 35600
188: ok 35601
188: ok 35602
188: ok 35603
188: ok 35604
188: ok 35605
188: ok 35606
188: ok 35607
188: ok 35608
188: ok 35609
188: ok 35610
188: ok 35611
188: ok 35612
188: ok 35613
188: ok 35614
188: ok 35615
188: ok 35616
188: ok 35617
188: ok 35618
188: ok 35619
188: ok 35620
188: ok 35621
188: ok 35622
188: ok 35623
188: ok 35624
188: ok 35625
188: ok 35626
188: ok 35627
188: ok 35628
188: ok 35629
188: ok 35630
188: ok 35631
188: ok 35632
188: ok 35633
188: ok 35634
188: ok 35635
188: ok 35636
188: ok 35637
188: ok 35638
188: ok 35639
188: ok 35640
188: ok 35641
188: ok 35642
188: ok 35643
188: ok 35644
188: ok 35645
188: ok 35646
188: ok 35647
188: ok 35648
188: ok 35649
188: ok 35650
188: ok 35651
188: ok 35652
188: ok 35653
188: ok 35654
188: ok 35655
188: ok 35656
188: ok 35657
188: ok 35658
188: ok 35659
188: ok 35660
188: ok 35661
188: ok 35662
188: ok 35663
188: ok 35664
188: ok 35665
188: ok 35666
188: ok 35667
188: ok 35668
188: ok 35669
188: ok 35670
188: ok 35671
188: ok 35672
188: ok 35673
188: ok 35674
188: ok 35675
188: ok 35676
188: ok 35677
188: ok 35678
188: ok 35679
188: ok 35680
188: ok 35681
188: ok 35682
188: ok 35683
188: ok 35684
188: ok 35685
188: ok 35686
188: ok 35687
188: ok 35688
188: ok 35689
188: ok 35690
188: ok 35691
188: ok 35692
188: ok 35693
188: ok 35694
188: ok 35695
188: ok 35696
188: ok 35697
188: ok 35698
188: ok 35699
188: ok 35700
188: ok 35701
188: ok 35702
188: ok 35703
188: ok 35704
188: ok 35705
188: ok 35706
188: ok 35707
188: ok 35708
188: ok 35709
188: ok 35710
188: ok 35711
188: ok 35712
188: ok 35713
188: ok 35714
188: ok 35715
188: ok 35716
188: ok 35717
188: ok 35718
188: ok 35719
188: ok 35720
188: ok 35721
188: ok 35722
188: ok 35723
188: ok 35724
188: ok 35725
188: ok 35726
188: ok 35727
188: ok 35728
188: ok 35729
188: ok 35730
188: ok 35731
188: ok 35732
188: ok 35733
188: ok 35734
188: ok 35735
188: ok 35736
188: ok 35737
188: ok 35738
188: ok 35739
188: ok 35740
188: ok 35741
188: ok 35742
188: ok 35743
188: ok 35744
188: ok 35745
188: ok 35746
188: ok 35747
188: ok 35748
188: ok 35749
188: ok 35750
188: ok 35751
188: ok 35752
188: ok 35753
188: ok 35754
188: ok 35755
188: ok 35756
188: ok 35757
188: ok 35758
188: ok 35759
188: ok 35760
188: ok 35761
188: ok 35762
188: ok 35763
188: ok 35764
188: ok 35765
188: ok 35766
188: ok 35767
188: ok 35768
188: ok 35769
188: ok 35770
188: ok 35771
188: ok 35772
188: ok 35773
188: ok 35774
188: ok 35775
188: ok 35776
188: ok 35777
188: ok 35778
188: ok 35779
188: ok 35780
188: ok 35781
188: ok 35782
188: ok 35783
188: ok 35784
188: ok 35785
188: ok 35786
188: ok 35787
188: ok 35788
188: ok 35789
188: ok 35790
188: ok 35791
188: ok 35792
188: ok 35793
188: ok 35794
188: ok 35795
188: ok 35796
188: ok 35797
188: ok 35798
188: ok 35799
188: ok 35800
188: ok 35801
188: ok 35802
188: ok 35803
188: ok 35804
188: ok 35805
188: ok 35806
188: ok 35807
188: ok 35808
188: ok 35809
188: ok 35810
188: ok 35811
188: ok 35812
188: ok 35813
188: ok 35814
188: ok 35815
188: ok 35816
188: ok 35817
188: ok 35818
188: ok 35819
188: ok 35820
188: ok 35821
188: ok 35822
188: ok 35823
188: ok 35824
188: ok 35825
188: ok 35826
188: ok 35827
188: ok 35828
188: ok 35829
188: ok 35830
188: ok 35831
188: ok 35832
188: ok 35833
188: ok 35834
188: ok 35835
188: ok 35836
188: ok 35837
188: ok 35838
188: ok 35839
188: ok 35840
188: ok 35841
188: ok 35842
188: ok 35843
188: ok 35844
188: ok 35845
188: ok 35846
188: ok 35847
188: ok 35848
188: ok 35849
188: ok 35850
188: ok 35851
188: ok 35852
188: ok 35853
188: ok 35854
188: ok 35855
188: ok 35856
188: ok 35857
188: ok 35858
188: ok 35859
188: ok 35860
188: ok 35861
188: ok 35862
188: ok 35863
188: ok 35864
188: ok 35865
188: ok 35866
188: ok 35867
188: ok 35868
188: ok 35869
188: ok 35870
188: ok 35871
188: ok 35872
188: ok 35873
188: ok 35874
188: ok 35875
188: ok 35876
188: ok 35877
188: ok 35878
188: ok 35879
188: ok 35880
188: ok 35881
188: ok 35882
188: ok 35883
188: ok 35884
188: ok 35885
188: ok 35886
188: ok 35887
188: ok 35888
188: ok 35889
188: ok 35890
188: ok 35891
188: ok 35892
188: ok 35893
188: ok 35894
188: ok 35895
188: ok 35896
188: ok 35897
188: ok 35898
188: ok 35899
188: ok 35900
188: ok 35901
188: ok 35902
188: ok 35903
188: ok 35904
188: ok 35905
188: ok 35906
188: ok 35907
188: ok 35908
188: ok 35909
188: ok 35910
188: ok 35911
188: ok 35912
188: ok 35913
188: ok 35914
188: ok 35915
188: ok 35916
188: ok 35917
188: ok 35918
188: ok 35919
188: ok 35920
188: ok 35921
188: ok 35922
188: ok 35923
188: ok 35924
188: ok 35925
188: ok 35926
188: ok 35927
188: ok 35928
188: ok 35929
188: ok 35930
188: ok 35931
188: ok 35932
188: ok 35933
188: ok 35934
188: ok 35935
188: ok 35936
188: ok 35937
188: ok 35938
188: ok 35939
188: ok 35940
188: ok 35941
188: ok 35942
188: ok 35943
188: ok 35944
188: ok 35945
188: ok 35946
188: ok 35947
188: ok 35948
188: ok 35949
188: ok 35950
188: ok 35951
188: ok 35952
188: ok 35953
188: ok 35954
188: ok 35955
188: ok 35956
188: ok 35957
188: ok 35958
188: ok 35959
188: ok 35960
188: ok 35961
188: ok 35962
188: ok 35963
188: ok 35964
188: ok 35965
188: ok 35966
188: ok 35967
188: ok 35968
188: ok 35969
188: ok 35970
188: ok 35971
188: ok 35972
188: ok 35973
188: ok 35974
188: ok 35975
188: ok 35976
188: ok 35977
188: ok 35978
188: ok 35979
188: ok 35980
188: ok 35981
188: ok 35982
188: ok 35983
188: ok 35984
188: ok 35985
188: ok 35986
188: ok 35987
188: ok 35988
188: ok 35989
188: ok 35990
188: ok 35991
188: ok 35992
188: ok 35993
188: ok 35994
188: ok 35995
188: ok 35996
188: ok 35997
188: ok 35998
188: ok 35999
188: ok 36000
188: ok 36001
188: ok 36002
188: ok 36003
188: ok 36004
188: ok 36005
188: ok 36006
188: ok 36007
188: ok 36008
188: ok 36009
188: ok 36010
188: ok 36011
188: ok 36012
188: ok 36013
188: ok 36014
188: ok 36015
188: ok 36016
188: ok 36017
188: ok 36018
188: ok 36019
188: ok 36020
188: ok 36021
188: ok 36022
188: ok 36023
188: ok 36024
188: ok 36025
188: ok 36026
188: ok 36027
188: ok 36028
188: ok 36029
188: ok 36030
188: ok 36031
188: ok 36032
188: ok 36033
188: ok 36034
188: ok 36035
188: ok 36036
188: ok 36037
188: ok 36038
188: ok 36039
188: ok 36040
188: ok 36041
188: ok 36042
188: ok 36043
188: ok 36044
188: ok 36045
188: ok 36046
188: ok 36047
188: ok 36048
188: ok 36049
188: ok 36050
188: ok 36051
188: ok 36052
188: ok 36053
188: ok 36054
188: ok 36055
188: ok 36056
188: ok 36057
188: ok 36058
188: ok 36059
188: ok 36060
188: ok 36061
188: ok 36062
188: ok 36063
188: ok 36064
188: ok 36065
188: ok 36066
188: ok 36067
188: ok 36068
188: ok 36069
188: ok 36070
188: ok 36071
188: ok 36072
188: ok 36073
188: ok 36074
188: ok 36075
188: ok 36076
188: ok 36077
188: ok 36078
188: ok 36079
188: ok 36080
188: ok 36081
188: ok 36082
188: ok 36083
188: ok 36084
188: ok 36085
188: ok 36086
188: ok 36087
188: ok 36088
188: ok 36089
188: ok 36090
188: ok 36091
188: ok 36092
188: ok 36093
188: ok 36094
188: ok 36095
188: ok 36096
188: ok 36097
188: ok 36098
188: ok 36099
188: ok 36100
188: ok 36101
188: ok 36102
188: ok 36103
188: ok 36104
188: ok 36105
188: ok 36106
188: ok 36107
188: ok 36108
188: ok 36109
188: ok 36110
188: ok 36111
188: ok 36112
188: ok 36113
188: ok 36114
188: ok 36115
188: ok 36116
188: ok 36117
188: ok 36118
188: ok 36119
188: ok 36120
188: ok 36121
188: ok 36122
188: ok 36123
188: ok 36124
188: ok 36125
188: ok 36126
188: ok 36127
188: ok 36128
188: ok 36129
188: ok 36130
188: ok 36131
188: ok 36132
188: ok 36133
188: ok 36134
188: ok 36135
188: ok 36136
188: ok 36137
188: ok 36138
188: ok 36139
188: ok 36140
188: ok 36141
188: ok 36142
188: ok 36143
188: ok 36144
188: ok 36145
188: ok 36146
188: ok 36147
188: ok 36148
188: ok 36149
188: ok 36150
188: ok 36151
188: ok 36152
188: ok 36153
188: ok 36154
188: ok 36155
188: ok 36156
188: ok 36157
188: ok 36158
188: ok 36159
188: ok 36160
188: ok 36161
188: ok 36162
188: ok 36163
188: ok 36164
188: ok 36165
188: ok 36166
188: ok 36167
188: ok 36168
188: ok 36169
188: ok 36170
188: ok 36171
188: ok 36172
188: ok 36173
188: ok 36174
188: ok 36175
188: ok 36176
188: ok 36177
188: ok 36178
188: ok 36179
188: ok 36180
188: ok 36181
188: ok 36182
188: ok 36183
188: ok 36184
188: ok 36185
188: ok 36186
188: ok 36187
188: ok 36188
188: ok 36189
188: ok 36190
188: ok 36191
188: ok 36192
188: ok 36193
188: ok 36194
188: ok 36195
188: ok 36196
188: ok 36197
188: ok 36198
188: ok 36199
188: ok 36200
188: ok 36201
188: ok 36202
188: ok 36203
188: ok 36204
188: ok 36205
188: ok 36206
188: ok 36207
188: ok 36208
188: ok 36209
188: ok 36210
188: ok 36211
188: ok 36212
188: ok 36213
188: ok 36214
188: ok 36215
188: ok 36216
188: ok 36217
188: ok 36218
188: ok 36219
188: ok 36220
188: ok 36221
188: ok 36222
188: ok 36223
188: ok 36224
188: ok 36225
188: ok 36226
188: ok 36227
188: ok 36228
188: ok 36229
188: ok 36230
188: ok 36231
188: ok 36232
188: ok 36233
188: ok 36234
188: ok 36235
188: ok 36236
188: ok 36237
188: ok 36238
188: ok 36239
188: ok 36240
188: ok 36241
188: ok 36242
188: ok 36243
188: ok 36244
188: ok 36245
188: ok 36246
188: ok 36247
188: ok 36248
188: ok 36249
188: ok 36250
188: ok 36251
188: ok 36252
188: ok 36253
188: ok 36254
188: ok 36255
188: ok 36256
188: ok 36257
188: ok 36258
188: ok 36259
188: ok 36260
188: ok 36261
188: ok 36262
188: ok 36263
188: ok 36264
188: ok 36265
188: ok 36266
188: ok 36267
188: ok 36268
188: ok 36269
188: ok 36270
188: ok 36271
188: ok 36272
188: ok 36273
188: ok 36274
188: ok 36275
188: ok 36276
188: ok 36277
188: ok 36278
188: ok 36279
188: ok 36280
188: ok 36281
188: ok 36282
188: ok 36283
188: ok 36284
188: ok 36285
188: ok 36286
188: ok 36287
188: ok 36288
188: ok 36289
188: ok 36290
188: ok 36291
188: ok 36292
188: ok 36293
188: ok 36294
188: ok 36295
188: ok 36296
188: ok 36297
188: ok 36298
188: ok 36299
188: ok 36300
188: ok 36301
188: ok 36302
188: ok 36303
188: ok 36304
188: ok 36305
188: ok 36306
188: ok 36307
188: ok 36308
188: ok 36309
188: ok 36310
188: ok 36311
188: ok 36312
188: ok 36313
188: ok 36314
188: ok 36315
188: ok 36316
188: ok 36317
188: ok 36318
188: ok 36319
188: ok 36320
188: ok 36321
188: ok 36322
188: ok 36323
188: ok 36324
188: ok 36325
188: ok 36326
188: ok 36327
188: ok 36328
188: ok 36329
188: ok 36330
188: ok 36331
188: ok 36332
188: ok 36333
188: ok 36334
188: ok 36335
188: ok 36336
188: ok 36337
188: ok 36338
188: ok 36339
188: ok 36340
188: ok 36341
188: ok 36342
188: ok 36343
188: ok 36344
188: ok 36345
188: ok 36346
188: ok 36347
188: ok 36348
188: ok 36349
188: ok 36350
188: ok 36351
188: ok 36352
188: ok 36353
188: ok 36354
188: ok 36355
188: ok 36356
188: ok 36357
188: ok 36358
188: ok 36359
188: ok 36360
188: ok 36361
188: ok 36362
188: ok 36363
188: ok 36364
188: ok 36365
188: ok 36366
188: ok 36367
188: ok 36368
188: ok 36369
188: ok 36370
188: ok 36371
188: ok 36372
188: ok 36373
188: ok 36374
188: ok 36375
188: ok 36376
188: ok 36377
188: ok 36378
188: ok 36379
188: ok 36380
188: ok 36381
188: ok 36382
188: ok 36383
188: ok 36384
188: ok 36385
188: ok 36386
188: ok 36387
188: ok 36388
188: ok 36389
188: ok 36390
188: ok 36391
188: ok 36392
188: ok 36393
188: ok 36394
188: ok 36395
188: ok 36396
188: ok 36397
188: ok 36398
188: ok 36399
188: ok 36400
188: ok 36401
188: ok 36402
188: ok 36403
188: ok 36404
188: ok 36405
188: ok 36406
188: ok 36407
188: ok 36408
188: ok 36409
188: ok 36410
188: ok 36411
188: ok 36412
188: ok 36413
188: ok 36414
188: ok 36415
188: ok 36416
188: ok 36417
188: ok 36418
188: ok 36419
188: ok 36420
188: ok 36421
188: ok 36422
188: ok 36423
188: ok 36424
188: ok 36425
188: ok 36426
188: ok 36427
188: ok 36428
188: ok 36429
188: ok 36430
188: ok 36431
188: ok 36432
188: ok 36433
188: ok 36434
188: ok 36435
188: ok 36436
188: ok 36437
188: ok 36438
188: ok 36439
188: ok 36440
188: ok 36441
188: ok 36442
188: ok 36443
188: ok 36444
188: ok 36445
188: ok 36446
188: ok 36447
188: ok 36448
188: ok 36449
188: ok 36450
188: ok 36451
188: ok 36452
188: ok 36453
188: ok 36454
188: ok 36455
188: ok 36456
188: ok 36457
188: ok 36458
188: ok 36459
188: ok 36460
188: ok 36461
188: ok 36462
188: ok 36463
188: ok 36464
188: ok 36465
188: ok 36466
188: ok 36467
188: ok 36468
188: ok 36469
188: ok 36470
188: ok 36471
188: ok 36472
188: ok 36473
188: ok 36474
188: ok 36475
188: ok 36476
188: ok 36477
188: ok 36478
188: ok 36479
188: ok 36480
188: ok 36481
188: ok 36482
188: ok 36483
188: ok 36484
188: ok 36485
188: ok 36486
188: ok 36487
188: ok 36488
188: ok 36489
188: ok 36490
188: ok 36491
188: ok 36492
188: ok 36493
188: ok 36494
188: ok 36495
188: ok 36496
188: ok 36497
188: ok 36498
188: ok 36499
188: ok 36500
188: ok 36501
188: ok 36502
188: ok 36503
188: ok 36504
188: ok 36505
188: ok 36506
188: ok 36507
188: ok 36508
188: ok 36509
188: ok 36510
188: ok 36511
188: ok 36512
188: ok 36513
188: ok 36514
188: ok 36515
188: ok 36516
188: ok 36517
188: ok 36518
188: ok 36519
188: ok 36520
188: ok 36521
188: ok 36522
188: ok 36523
188: ok 36524
188: ok 36525
188: ok 36526
188: ok 36527
188: ok 36528
188: ok 36529
188: ok 36530
188: ok 36531
188: ok 36532
188: ok 36533
188: ok 36534
188: ok 36535
188: ok 36536
188: ok 36537
188: ok 36538
188: ok 36539
188: ok 36540
188: ok 36541
188: ok 36542
188: ok 36543
188: ok 36544
188: ok 36545
188: ok 36546
188: ok 36547
188: ok 36548
188: ok 36549
188: ok 36550
188: ok 36551
188: ok 36552
188: ok 36553
188: ok 36554
188: ok 36555
188: ok 36556
188: ok 36557
188: ok 36558
188: ok 36559
188: ok 36560
188: ok 36561
188: ok 36562
188: ok 36563
188: ok 36564
188: ok 36565
188: ok 36566
188: ok 36567
188: ok 36568
188: ok 36569
188: ok 36570
188: ok 36571
188: ok 36572
188: ok 36573
188: ok 36574
188: ok 36575
188: ok 36576
188: ok 36577
188: ok 36578
188: ok 36579
188: ok 36580
188: ok 36581
188: ok 36582
188: ok 36583
188: ok 36584
188: ok 36585
188: ok 36586
188: ok 36587
188: ok 36588
188: ok 36589
188: ok 36590
188: ok 36591
188: ok 36592
188: ok 36593
188: ok 36594
188: ok 36595
188: ok 36596
188: ok 36597
188: ok 36598
188: ok 36599
188: ok 36600
188: ok 36601
188: ok 36602
188: ok 36603
188: ok 36604
188: ok 36605
188: ok 36606
188: ok 36607
188: ok 36608
188: ok 36609
188: ok 36610
188: ok 36611
188: ok 36612
188: ok 36613
188: ok 36614
188: ok 36615
188: ok 36616
188: ok 36617
188: ok 36618
188: ok 36619
188: ok 36620
188: ok 36621
188: ok 36622
188: ok 36623
188: ok 36624
188: ok 36625
188: ok 36626
188: ok 36627
188: ok 36628
188: ok 36629
188: ok 36630
188: ok 36631
188: ok 36632
188: ok 36633
188: ok 36634
188: ok 36635
188: ok 36636
188: ok 36637
188: ok 36638
188: ok 36639
188: ok 36640
188: ok 36641
188: ok 36642
188: ok 36643
188: ok 36644
188: ok 36645
188: ok 36646
188: ok 36647
188: ok 36648
188: ok 36649
188: ok 36650
188: ok 36651
188: ok 36652
188: ok 36653
188: ok 36654
188: ok 36655
188: ok 36656
188: ok 36657
188: ok 36658
188: ok 36659
188: ok 36660
188: ok 36661
188: ok 36662
188: ok 36663
188: ok 36664
188: ok 36665
188: ok 36666
188: ok 36667
188: ok 36668
188: ok 36669
188: ok 36670
188: ok 36671
188: ok 36672
188: ok 36673
188: ok 36674
188: ok 36675
188: ok 36676
188: ok 36677
188: ok 36678
188: ok 36679
188: ok 36680
188: ok 36681
188: ok 36682
188: ok 36683
188: ok 36684
188: ok 36685
188: ok 36686
188: ok 36687
188: ok 36688
188: ok 36689
188: ok 36690
188: ok 36691
188: ok 36692
188: ok 36693
188: ok 36694
188: ok 36695
188: ok 36696
188: ok 36697
188: ok 36698
188: ok 36699
188: ok 36700
188: ok 36701
188: ok 36702
188: ok 36703
188: ok 36704
188: ok 36705
188: ok 36706
188: ok 36707
188: ok 36708
188: ok 36709
188: ok 36710
188: ok 36711
188: ok 36712
188: ok 36713
188: ok 36714
188: ok 36715
188: ok 36716
188: ok 36717
188: ok 36718
188: ok 36719
188: ok 36720
188: ok 36721
188: ok 36722
188: ok 36723
188: ok 36724
188: ok 36725
188: ok 36726
188: ok 36727
188: ok 36728
188: ok 36729
188: ok 36730
188: ok 36731
188: ok 36732
188: ok 36733
188: ok 36734
188: ok 36735
188: ok 36736
188: ok 36737
188: ok 36738
188: ok 36739
188: ok 36740
188: ok 36741
188: ok 36742
188: ok 36743
188: ok 36744
188: ok 36745
188: ok 36746
188: ok 36747
188: ok 36748
188: ok 36749
188: ok 36750
188: ok 36751
188: ok 36752
188: ok 36753
188: ok 36754
188: ok 36755
188: ok 36756
188: ok 36757
188: ok 36758
188: ok 36759
188: ok 36760
188: ok 36761
188: ok 36762
188: ok 36763
188: ok 36764
188: ok 36765
188: ok 36766
188: ok 36767
188: ok 36768
188: ok 36769
188: ok 36770
188: ok 36771
188: ok 36772
188: ok 36773
188: ok 36774
188: ok 36775
188: ok 36776
188: ok 36777
188: ok 36778
188: ok 36779
188: ok 36780
188: ok 36781
188: ok 36782
188: ok 36783
188: ok 36784
188: ok 36785
188: ok 36786
188: ok 36787
188: ok 36788
188: ok 36789
188: ok 36790
188: ok 36791
188: ok 36792
188: ok 36793
188: ok 36794
188: ok 36795
188: ok 36796
188: ok 36797
188: ok 36798
188: ok 36799
188: ok 36800
188: ok 36801
188: ok 36802
188: ok 36803
188: ok 36804
188: ok 36805
188: ok 36806
188: ok 36807
188: ok 36808
188: ok 36809
188: ok 36810
188: ok 36811
188: ok 36812
188: ok 36813
188: ok 36814
188: ok 36815
188: ok 36816
188: ok 36817
188: ok 36818
188: ok 36819
188: ok 36820
188: ok 36821
188: ok 36822
188: ok 36823
188: ok 36824
188: ok 36825
188: ok 36826
188: ok 36827
188: ok 36828
188: ok 36829
188: ok 36830
188: ok 36831
188: ok 36832
188: ok 36833
188: ok 36834
188: ok 36835
188: ok 36836
188: ok 36837
188: ok 36838
188: ok 36839
188: ok 36840
188: ok 36841
188: ok 36842
188: ok 36843
188: ok 36844
188: ok 36845
188: ok 36846
188: ok 36847
188: ok 36848
188: ok 36849
188: ok 36850
188: ok 36851
188: ok 36852
188: ok 36853
188: ok 36854
188: ok 36855
188: ok 36856
188: ok 36857
188: ok 36858
188: ok 36859
188: ok 36860
188: ok 36861
188: ok 36862
188: ok 36863
188: ok 36864
188: ok 36865
188: ok 36866
188: ok 36867
188: ok 36868
188: ok 36869
188: ok 36870
188: ok 36871
188: ok 36872
188: ok 36873
188: ok 36874
188: ok 36875
188: ok 36876
188: ok 36877
188: ok 36878
188: ok 36879
188: ok 36880
188: ok 36881
188: ok 36882
188: ok 36883
188: ok 36884
188: ok 36885
188: ok 36886
188: ok 36887
188: ok 36888
188: ok 36889
188: ok 36890
188: ok 36891
188: ok 36892
188: ok 36893
188: ok 36894
188: ok 36895
188: ok 36896
188: ok 36897
188: ok 36898
188: ok 36899
188: ok 36900
188: ok 36901
188: ok 36902
188: ok 36903
188: ok 36904
188: ok 36905
188: ok 36906
188: ok 36907
188: ok 36908
188: ok 36909
188: ok 36910
188: ok 36911
188: ok 36912
188: ok 36913
188: ok 36914
188: ok 36915
188: ok 36916
188: ok 36917
188: ok 36918
188: ok 36919
188: ok 36920
188: ok 36921
188: ok 36922
188: ok 36923
188: ok 36924
188: ok 36925
188: ok 36926
188: ok 36927
188: ok 36928
188: ok 36929
188: ok 36930
188: ok 36931
188: ok 36932
188: ok 36933
188: ok 36934
188: ok 36935
188: ok 36936
188: ok 36937
188: ok 36938
188: ok 36939
188: ok 36940
188: ok 36941
188: ok 36942
188: ok 36943
188: ok 36944
188: ok 36945
188: ok 36946
188: ok 36947
188: ok 36948
188: ok 36949
188: ok 36950
188: ok 36951
188: ok 36952
188: ok 36953
188: ok 36954
188: ok 36955
188: ok 36956
188: ok 36957
188: ok 36958
188: ok 36959
188: ok 36960
188: ok 36961
188: ok 36962
188: ok 36963
188: ok 36964
188: ok 36965
188: ok 36966
188: ok 36967
188: ok 36968
188: ok 36969
188: ok 36970
188: ok 36971
188: ok 36972
188: ok 36973
188: ok 36974
188: ok 36975
188: ok 36976
188: ok 36977
188: ok 36978
188: ok 36979
188: ok 36980
188: ok 36981
188: ok 36982
188: ok 36983
188: ok 36984
188: ok 36985
188: ok 36986
188: ok 36987
188: ok 36988
188: ok 36989
188: ok 36990
188: ok 36991
188: ok 36992
188: ok 36993
188: ok 36994
188: ok 36995
188: ok 36996
188: ok 36997
188: ok 36998
188: ok 36999
188: ok 37000
188: ok 37001
188: ok 37002
188: ok 37003
188: ok 37004
188: ok 37005
188: ok 37006
188: ok 37007
188: ok 37008
188: ok 37009
188: ok 37010
188: ok 37011
188: ok 37012
188: ok 37013
188: ok 37014
188: ok 37015
188: ok 37016
188: ok 37017
188: ok 37018
188: ok 37019
188: ok 37020
188: ok 37021
188: ok 37022
188: ok 37023
188: ok 37024
188: ok 37025
188: ok 37026
188: ok 37027
188: ok 37028
188: ok 37029
188: ok 37030
188: ok 37031
188: ok 37032
188: ok 37033
188: ok 37034
188: ok 37035
188: ok 37036
188: ok 37037
188: ok 37038
188: ok 37039
188: ok 37040
188: ok 37041
188: ok 37042
188: ok 37043
188: ok 37044
188: ok 37045
188: ok 37046
188: ok 37047
188: ok 37048
188: ok 37049
188: ok 37050
188: ok 37051
188: ok 37052
188: ok 37053
188: ok 37054
188: ok 37055
188: ok 37056
188: ok 37057
188: ok 37058
188: ok 37059
188: ok 37060
188: ok 37061
188: ok 37062
188: ok 37063
188: ok 37064
188: ok 37065
188: ok 37066
188: ok 37067
188: ok 37068
188: ok 37069
188: ok 37070
188: ok 37071
188: ok 37072
188: ok 37073
188: ok 37074
188: ok 37075
188: ok 37076
188: ok 37077
188: ok 37078
188: ok 37079
188: ok 37080
188: ok 37081
188: ok 37082
188: ok 37083
188: ok 37084
188: ok 37085
188: ok 37086
188: ok 37087
188: ok 37088
188: ok 37089
188: ok 37090
188: ok 37091
188: ok 37092
188: ok 37093
188: ok 37094
188: ok 37095
188: ok 37096
188: ok 37097
188: ok 37098
188: ok 37099
188: ok 37100
188: ok 37101
188: ok 37102
188: ok 37103
188: ok 37104
188: ok 37105
188: ok 37106
188: ok 37107
188: ok 37108
188: ok 37109
188: ok 37110
188: ok 37111
188: ok 37112
188: ok 37113
188: ok 37114
188: ok 37115
188: ok 37116
188: ok 37117
188: ok 37118
188: ok 37119
188: ok 37120
188: ok 37121
188: ok 37122
188: ok 37123
188: ok 37124
188: ok 37125
188: ok 37126
188: ok 37127
188: ok 37128
188: ok 37129
188: ok 37130
188: ok 37131
188: ok 37132
188: ok 37133
188: ok 37134
188: ok 37135
188: ok 37136
188: ok 37137
188: ok 37138
188: ok 37139
188: ok 37140
188: ok 37141
188: ok 37142
188: ok 37143
188: ok 37144
188: ok 37145
188: ok 37146
188: ok 37147
188: ok 37148
188: ok 37149
188: ok 37150
188: ok 37151
188: ok 37152
188: ok 37153
188: ok 37154
188: ok 37155
188: ok 37156
188: ok 37157
188: ok 37158
188: ok 37159
188: ok 37160
188: ok 37161
188: ok 37162
188: ok 37163
188: ok 37164
188: ok 37165
188: ok 37166
188: ok 37167
188: ok 37168
188: ok 37169
188: ok 37170
188: ok 37171
188: ok 37172
188: ok 37173
188: ok 37174
188: ok 37175
188: ok 37176
188: ok 37177
188: ok 37178
188: ok 37179
188: ok 37180
188: ok 37181
188: ok 37182
188: ok 37183
188: ok 37184
188: ok 37185
188: ok 37186
188: ok 37187
188: ok 37188
188: ok 37189
188: ok 37190
188: ok 37191
188: ok 37192
188: ok 37193
188: ok 37194
188: ok 37195
188: ok 37196
188: ok 37197
188: ok 37198
188: ok 37199
188: ok 37200
188: ok 37201
188: ok 37202
188: ok 37203
188: ok 37204
188: ok 37205
188: ok 37206
188: ok 37207
188: ok 37208
188: ok 37209
188: ok 37210
188: ok 37211
188: ok 37212
188: ok 37213
188: ok 37214
188: ok 37215
188: ok 37216
188: ok 37217
188: ok 37218
188: ok 37219
188: ok 37220
188: ok 37221
188: ok 37222
188: ok 37223
188: ok 37224
188: ok 37225
188: ok 37226
188: ok 37227
188: ok 37228
188: ok 37229
188: ok 37230
188: ok 37231
188: ok 37232
188: ok 37233
188: ok 37234
188: ok 37235
188: ok 37236
188: ok 37237
188: ok 37238
188: ok 37239
188: ok 37240
188: ok 37241
188: ok 37242
188: ok 37243
188: ok 37244
188: ok 37245
188: ok 37246
188: ok 37247
188: ok 37248
188: ok 37249
188: ok 37250
188: ok 37251
188: ok 37252
188: ok 37253
188: ok 37254
188: ok 37255
188: ok 37256
188: ok 37257
188: ok 37258
188: ok 37259
188: ok 37260
188: ok 37261
188: ok 37262
188: ok 37263
188: ok 37264
188: ok 37265
188: ok 37266
188: ok 37267
188: ok 37268
188: ok 37269
188: ok 37270
188: ok 37271
188: ok 37272
188: ok 37273
188: ok 37274
188: ok 37275
188: ok 37276
188: ok 37277
188: ok 37278
188: ok 37279
188: ok 37280
188: ok 37281
188: ok 37282
188: ok 37283
188: ok 37284
188: ok 37285
188: ok 37286
188: ok 37287
188: ok 37288
188: ok 37289
188: ok 37290
188: ok 37291
188: ok 37292
188: ok 37293
188: ok 37294
188: ok 37295
188: ok 37296
188: ok 37297
188: ok 37298
188: ok 37299
188: ok 37300
188: ok 37301
188: ok 37302
188: ok 37303
188: ok 37304
188: ok 37305
188: ok 37306
188: ok 37307
188: ok 37308
188: ok 37309
188: ok 37310
188: ok 37311
188: ok 37312
188: ok 37313
188: ok 37314
188: ok 37315
188: ok 37316
188: ok 37317
188: ok 37318
188: ok 37319
188: ok 37320
188: ok 37321
188: ok 37322
188: ok 37323
188: ok 37324
188: ok 37325
188: ok 37326
188: ok 37327
188: ok 37328
188: ok 37329
188: ok 37330
188: ok 37331
188: ok 37332
188: ok 37333
188: ok 37334
188: ok 37335
188: ok 37336
188: ok 37337
188: ok 37338
188: ok 37339
188: ok 37340
188: ok 37341
188: ok 37342
188: ok 37343
188: ok 37344
188: ok 37345
188: ok 37346
188: ok 37347
188: ok 37348
188: ok 37349
188: ok 37350
188: ok 37351
188: ok 37352
188: ok 37353
188: ok 37354
188: ok 37355
188: ok 37356
188: ok 37357
188: ok 37358
188: ok 37359
188: ok 37360
188: ok 37361
188: ok 37362
188: ok 37363
188: ok 37364
188: ok 37365
188: ok 37366
188: ok 37367
188: ok 37368
188: ok 37369
188: ok 37370
188: ok 37371
188: ok 37372
188: ok 37373
188: ok 37374
188: ok 37375
188: ok 37376
188: ok 37377
188: ok 37378
188: ok 37379
188: ok 37380
188: ok 37381
188: ok 37382
188: ok 37383
188: ok 37384
188: ok 37385
188: ok 37386
188: ok 37387
188: ok 37388
188: ok 37389
188: ok 37390
188: ok 37391
188: ok 37392
188: ok 37393
188: ok 37394
188: ok 37395
188: ok 37396
188: ok 37397
188: ok 37398
188: ok 37399
188: ok 37400
188: ok 37401
188: ok 37402
188: ok 37403
188: ok 37404
188: ok 37405
188: ok 37406
188: ok 37407
188: ok 37408
188: ok 37409
188: ok 37410
188: ok 37411
188: ok 37412
188: ok 37413
188: ok 37414
188: ok 37415
188: ok 37416
188: ok 37417
188: ok 37418
188: ok 37419
188: ok 37420
188: ok 37421
188: ok 37422
188: ok 37423
188: ok 37424
188: ok 37425
188: ok 37426
188: ok 37427
188: ok 37428
188: ok 37429
188: ok 37430
188: ok 37431
188: ok 37432
188: ok 37433
188: ok 37434
188: ok 37435
188: ok 37436
188: ok 37437
188: ok 37438
188: ok 37439
188: ok 37440
188: ok 37441
188: ok 37442
188: ok 37443
188: ok 37444
188: ok 37445
188: ok 37446
188: ok 37447
188: ok 37448
188: ok 37449
188: ok 37450
188: ok 37451
188: ok 37452
188: ok 37453
188: ok 37454
188: ok 37455
188: ok 37456
188: ok 37457
188: ok 37458
188: ok 37459
188: ok 37460
188: ok 37461
188: ok 37462
188: ok 37463
188: ok 37464
188: ok 37465
188: ok 37466
188: ok 37467
188: ok 37468
188: ok 37469
188: ok 37470
188: ok 37471
188: ok 37472
188: ok 37473
188: ok 37474
188: ok 37475
188: ok 37476
188: ok 37477
188: ok 37478
188: ok 37479
188: ok 37480
188: ok 37481
188: ok 37482
188: ok 37483
188: ok 37484
188: ok 37485
188: ok 37486
188: ok 37487
188: ok 37488
188: ok 37489
188: ok 37490
188: ok 37491
188: ok 37492
188: ok 37493
188: ok 37494
188: ok 37495
188: ok 37496
188: ok 37497
188: ok 37498
188: ok 37499
188: ok 37500
188: ok 37501
188: ok 37502
188: ok 37503
188: ok 37504
188: ok 37505
188: ok 37506
188: ok 37507
188: ok 37508
188: ok 37509
188: ok 37510
188: ok 37511
188: ok 37512
188: ok 37513
188: ok 37514
188: ok 37515
188: ok 37516
188: ok 37517
188: ok 37518
188: ok 37519
188: ok 37520
188: ok 37521
188: ok 37522
188: ok 37523
188: ok 37524
188: ok 37525
188: ok 37526
188: ok 37527
188: ok 37528
188: ok 37529
188: ok 37530
188: ok 37531
188: ok 37532
188: ok 37533
188: ok 37534
188: ok 37535
188: ok 37536
188: ok 37537
188: ok 37538
188: ok 37539
188: ok 37540
188: ok 37541
188: ok 37542
188: ok 37543
188: ok 37544
188: ok 37545
188: ok 37546
188: ok 37547
188: ok 37548
188: ok 37549
188: ok 37550
188: ok 37551
188: ok 37552
188: ok 37553
188: ok 37554
188: ok 37555
188: ok 37556
188: ok 37557
188: ok 37558
188: ok 37559
188: ok 37560
188: ok 37561
188: ok 37562
188: ok 37563
188: ok 37564
188: ok 37565
188: ok 37566
188: ok 37567
188: ok 37568
188: ok 37569
188: ok 37570
188: ok 37571
188: ok 37572
188: ok 37573
188: ok 37574
188: ok 37575
188: ok 37576
188: ok 37577
188: ok 37578
188: ok 37579
188: ok 37580
188: ok 37581
188: ok 37582
188: ok 37583
188: ok 37584
188: ok 37585
188: ok 37586
188: ok 37587
188: ok 37588
188: ok 37589
188: ok 37590
188: ok 37591
188: ok 37592
188: ok 37593
188: ok 37594
188: ok 37595
188: ok 37596
188: ok 37597
188: ok 37598
188: ok 37599
188: ok 37600
188: ok 37601
188: ok 37602
188: ok 37603
188: ok 37604
188: ok 37605
188: ok 37606
188: ok 37607
188: ok 37608
188: ok 37609
188: ok 37610
188: ok 37611
188: ok 37612
188: ok 37613
188: ok 37614
188: ok 37615
188: ok 37616
188: ok 37617
188: ok 37618
188: ok 37619
188: ok 37620
188: ok 37621
188: ok 37622
188: ok 37623
188: ok 37624
188: ok 37625
188: ok 37626
188: ok 37627
188: ok 37628
188: ok 37629
188: ok 37630
188: ok 37631
188: ok 37632
188: ok 37633
188: ok 37634
188: ok 37635
188: ok 37636
188: ok 37637
188: ok 37638
188: ok 37639
188: ok 37640
188: ok 37641
188: ok 37642
188: ok 37643
188: ok 37644
188: ok 37645
188: ok 37646
188: ok 37647
188: ok 37648
188: ok 37649
188: ok 37650
188: ok 37651
188: ok 37652
188: ok 37653
188: ok 37654
188: ok 37655
188: ok 37656
188: ok 37657
188: ok 37658
188: ok 37659
188: ok 37660
188: ok 37661
188: ok 37662
188: ok 37663
188: ok 37664
188: ok 37665
188: ok 37666
188: ok 37667
188: ok 37668
188: ok 37669
188: ok 37670
188: ok 37671
188: ok 37672
188: ok 37673
188: ok 37674
188: ok 37675
188: ok 37676
188: ok 37677
188: ok 37678
188: ok 37679
188: ok 37680
188: ok 37681
188: ok 37682
188: ok 37683
188: ok 37684
188: ok 37685
188: ok 37686
188: ok 37687
188: ok 37688
188: ok 37689
188: ok 37690
188: ok 37691
188: ok 37692
188: ok 37693
188: ok 37694
188: ok 37695
188: ok 37696
188: ok 37697
188: ok 37698
188: ok 37699
188: ok 37700
188: ok 37701
188: ok 37702
188: ok 37703
188: ok 37704
188: ok 37705
188: ok 37706
188: ok 37707
188: ok 37708
188: ok 37709
188: ok 37710
188: ok 37711
188: ok 37712
188: ok 37713
188: ok 37714
188: ok 37715
188: ok 37716
188: ok 37717
188: ok 37718
188: ok 37719
188: ok 37720
188: ok 37721
188: ok 37722
188: ok 37723
188: ok 37724
188: ok 37725
188: ok 37726
188: ok 37727
188: ok 37728
188: ok 37729
188: ok 37730
188: ok 37731
188: ok 37732
188: ok 37733
188: ok 37734
188: ok 37735
188: ok 37736
188: ok 37737
188: ok 37738
188: ok 37739
188: ok 37740
188: ok 37741
188: ok 37742
188: ok 37743
188: ok 37744
188: ok 37745
188: ok 37746
188: ok 37747
188: ok 37748
188: ok 37749
188: ok 37750
188: ok 37751
188: ok 37752
188: ok 37753
188: ok 37754
188: ok 37755
188: ok 37756
188: ok 37757
188: ok 37758
188: ok 37759
188: ok 37760
188: ok 37761
188: ok 37762
188: ok 37763
188: ok 37764
188: ok 37765
188: ok 37766
188: ok 37767
188: ok 37768
188: ok 37769
188: ok 37770
188: ok 37771
188: ok 37772
188: ok 37773
188: ok 37774
188: ok 37775
188: ok 37776
188: ok 37777
188: ok 37778
188: ok 37779
188: ok 37780
188: ok 37781
188: ok 37782
188: ok 37783
188: ok 37784
188: ok 37785
188: ok 37786
188: ok 37787
188: ok 37788
188: ok 37789
188: ok 37790
188: ok 37791
188: ok 37792
188: ok 37793
188: ok 37794
188: ok 37795
188: ok 37796
188: ok 37797
188: ok 37798
188: ok 37799
188: ok 37800
188: ok 37801
188: ok 37802
188: ok 37803
188: ok 37804
188: ok 37805
188: ok 37806
188: ok 37807
188: ok 37808
188: ok 37809
188: ok 37810
188: ok 37811
188: ok 37812
188: ok 37813
188: ok 37814
188: ok 37815
188: ok 37816
188: ok 37817
188: ok 37818
188: ok 37819
188: ok 37820
188: ok 37821
188: ok 37822
188: ok 37823
188: ok 37824
188: ok 37825
188: ok 37826
188: ok 37827
188: ok 37828
188: ok 37829
188: ok 37830
188: ok 37831
188: ok 37832
188: ok 37833
188: ok 37834
188: ok 37835
188: ok 37836
188: ok 37837
188: ok 37838
188: ok 37839
188: ok 37840
188: ok 37841
188: ok 37842
188: ok 37843
188: ok 37844
188: ok 37845
188: ok 37846
188: ok 37847
188: ok 37848
188: ok 37849
188: ok 37850
188: ok 37851
188: ok 37852
188: ok 37853
188: ok 37854
188: ok 37855
188: ok 37856
188: ok 37857
188: ok 37858
188: ok 37859
188: ok 37860
188: ok 37861
188: ok 37862
188: ok 37863
188: ok 37864
188: ok 37865
188: ok 37866
188: ok 37867
188: ok 37868
188: ok 37869
188: ok 37870
188: ok 37871
188: ok 37872
188: ok 37873
188: ok 37874
188: ok 37875
188: ok 37876
188: ok 37877
188: ok 37878
188: ok 37879
188: ok 37880
188: ok 37881
188: ok 37882
188: ok 37883
188: ok 37884
188: ok 37885
188: ok 37886
188: ok 37887
188: ok 37888
188: ok 37889
188: ok 37890
188: ok 37891
188: ok 37892
188: ok 37893
188: ok 37894
188: ok 37895
188: ok 37896
188: ok 37897
188: ok 37898
188: ok 37899
188: ok 37900
188: ok 37901
188: ok 37902
188: ok 37903
188: ok 37904
188: ok 37905
188: ok 37906
188: ok 37907
188: ok 37908
188: ok 37909
188: ok 37910
188: ok 37911
188: ok 37912
188: ok 37913
188: ok 37914
188: ok 37915
188: ok 37916
188: ok 37917
188: ok 37918
188: ok 37919
188: ok 37920
188: ok 37921
188: ok 37922
188: ok 37923
188: ok 37924
188: ok 37925
188: ok 37926
188: ok 37927
188: ok 37928
188: ok 37929
188: ok 37930
188: ok 37931
188: ok 37932
188: ok 37933
188: ok 37934
188: ok 37935
188: ok 37936
188: ok 37937
188: ok 37938
188: ok 37939
188: ok 37940
188: ok 37941
188: ok 37942
188: ok 37943
188: ok 37944
188: ok 37945
188: ok 37946
188: ok 37947
188: ok 37948
188: ok 37949
188: ok 37950
188: ok 37951
188: ok 37952
188: ok 37953
188: ok 37954
188: ok 37955
188: ok 37956
188: ok 37957
188: ok 37958
188: ok 37959
188: ok 37960
188: ok 37961
188: ok 37962
188: ok 37963
188: ok 37964
188: ok 37965
188: ok 37966
188: ok 37967
188: ok 37968
188: ok 37969
188: ok 37970
188: ok 37971
188: ok 37972
188: ok 37973
188: ok 37974
188: ok 37975
188: ok 37976
188: ok 37977
188: ok 37978
188: ok 37979
188: ok 37980
188: ok 37981
188: ok 37982
188: ok 37983
188: ok 37984
188: ok 37985
188: ok 37986
188: ok 37987
188: ok 37988
188: ok 37989
188: ok 37990
188: ok 37991
188: ok 37992
188: ok 37993
188: ok 37994
188: ok 37995
188: ok 37996
188: ok 37997
188: ok 37998
188: ok 37999
188: ok 38000
188: ok 38001
188: ok 38002
188: ok 38003
188: ok 38004
188: ok 38005
188: ok 38006
188: ok 38007
188: ok 38008
188: ok 38009
188: ok 38010
188: ok 38011
188: ok 38012
188: ok 38013
188: ok 38014
188: ok 38015
188: ok 38016
188: ok 38017
188: ok 38018
188: ok 38019
188: ok 38020
188: ok 38021
188: ok 38022
188: ok 38023
188: ok 38024
188: ok 38025
188: ok 38026
188: ok 38027
188: ok 38028
188: ok 38029
188: ok 38030
188: ok 38031
188: ok 38032
188: ok 38033
188: ok 38034
188: ok 38035
188: ok 38036
188: ok 38037
188: ok 38038
188: ok 38039
188: ok 38040
188: ok 38041
188: ok 38042
188: ok 38043
188: ok 38044
188: ok 38045
188: ok 38046
188: ok 38047
188: ok 38048
188: ok 38049
188: ok 38050
188: ok 38051
188: ok 38052
188: ok 38053
188: ok 38054
188: ok 38055
188: ok 38056
188: ok 38057
188: ok 38058
188: ok 38059
188: ok 38060
188: ok 38061
188: ok 38062
188: ok 38063
188: ok 38064
188: ok 38065
188: ok 38066
188: ok 38067
188: ok 38068
188: ok 38069
188: ok 38070
188: ok 38071
188: ok 38072
188: ok 38073
188: ok 38074
188: ok 38075
188: ok 38076
188: ok 38077
188: ok 38078
188: ok 38079
188: ok 38080
188: ok 38081
188: ok 38082
188: ok 38083
188: ok 38084
188: ok 38085
188: ok 38086
188: ok 38087
188: ok 38088
188: ok 38089
188: ok 38090
188: ok 38091
188: ok 38092
188: ok 38093
188: ok 38094
188: ok 38095
188: ok 38096
188: ok 38097
188: ok 38098
188: ok 38099
188: ok 38100
188: ok 38101
188: ok 38102
188: ok 38103
188: ok 38104
188: ok 38105
188: ok 38106
188: ok 38107
188: ok 38108
188: ok 38109
188: ok 38110
188: ok 38111
188: ok 38112
188: ok 38113
188: ok 38114
188: ok 38115
188: ok 38116
188: ok 38117
188: ok 38118
188: ok 38119
188: ok 38120
188: ok 38121
188: ok 38122
188: ok 38123
188: ok 38124
188: ok 38125
188: ok 38126
188: ok 38127
188: ok 38128
188: ok 38129
188: ok 38130
188: ok 38131
188: ok 38132
188: ok 38133
188: ok 38134
188: ok 38135
188: ok 38136
188: ok 38137
188: ok 38138
188: ok 38139
188: ok 38140
188: ok 38141
188: ok 38142
188: ok 38143
188: ok 38144
188: ok 38145
188: ok 38146
188: ok 38147
188: ok 38148
188: ok 38149
188: ok 38150
188: ok 38151
188: ok 38152
188: ok 38153
188: ok 38154
188: ok 38155
188: ok 38156
188: ok 38157
188: ok 38158
188: ok 38159
188: ok 38160
188: ok 38161
188: ok 38162
188: ok 38163
188: ok 38164
188: ok 38165
188: ok 38166
188: ok 38167
188: ok 38168
188: ok 38169
188: ok 38170
188: ok 38171
188: ok 38172
188: ok 38173
188: ok 38174
188: ok 38175
188: ok 38176
188: ok 38177
188: ok 38178
188: ok 38179
188: ok 38180
188: ok 38181
188: ok 38182
188: ok 38183
188: ok 38184
188: ok 38185
188: ok 38186
188: ok 38187
188: ok 38188
188: ok 38189
188: ok 38190
188: ok 38191
188: ok 38192
188: ok 38193
188: ok 38194
188: ok 38195
188: ok 38196
188: ok 38197
188: ok 38198
188: ok 38199
188: ok 38200
188: ok 38201
188: ok 38202
188: ok 38203
188: ok 38204
188: ok 38205
188: ok 38206
188: ok 38207
188: ok 38208
188: ok 38209
188: ok 38210
188: ok 38211
188: ok 38212
188: ok 38213
188: ok 38214
188: ok 38215
188: ok 38216
188: ok 38217
188: ok 38218
188: ok 38219
188: ok 38220
188: ok 38221
188: ok 38222
188: ok 38223
188: ok 38224
188: ok 38225
188: ok 38226
188: ok 38227
188: ok 38228
188: ok 38229
188: ok 38230
188: ok 38231
188: ok 38232
188: ok 38233
188: ok 38234
188: ok 38235
188: ok 38236
188: ok 38237
188: ok 38238
188: ok 38239
188: ok 38240
188: ok 38241
188: ok 38242
188: ok 38243
188: ok 38244
188: ok 38245
188: ok 38246
188: ok 38247
188: ok 38248
188: ok 38249
188: ok 38250
188: ok 38251
188: ok 38252
188: ok 38253
188: ok 38254
188: ok 38255
188: ok 38256
188: ok 38257
188: ok 38258
188: ok 38259
188: ok 38260
188: ok 38261
188: ok 38262
188: ok 38263
188: ok 38264
188: ok 38265
188: ok 38266
188: ok 38267
188: ok 38268
188: ok 38269
188: ok 38270
188: ok 38271
188: ok 38272
188: ok 38273
188: ok 38274
188: ok 38275
188: ok 38276
188: ok 38277
188: ok 38278
188: ok 38279
188: ok 38280
188: ok 38281
188: ok 38282
188: ok 38283
188: ok 38284
188: ok 38285
188: ok 38286
188: ok 38287
188: ok 38288
188: ok 38289
188: ok 38290
188: ok 38291
188: ok 38292
188: ok 38293
188: ok 38294
188: ok 38295
188: ok 38296
188: ok 38297
188: ok 38298
188: ok 38299
188: ok 38300
188: ok 38301
188: ok 38302
188: ok 38303
188: ok 38304
188: ok 38305
188: ok 38306
188: ok 38307
188: ok 38308
188: ok 38309
188: ok 38310
188: ok 38311
188: ok 38312
188: ok 38313
188: ok 38314
188: ok 38315
188: ok 38316
188: ok 38317
188: ok 38318
188: ok 38319
188: ok 38320
188: ok 38321
188: ok 38322
188: ok 38323
188: ok 38324
188: ok 38325
188: ok 38326
188: ok 38327
188: ok 38328
188: ok 38329
188: ok 38330
188: ok 38331
188: ok 38332
188: ok 38333
188: ok 38334
188: ok 38335
188: ok 38336
188: ok 38337
188: ok 38338
188: ok 38339
188: ok 38340
188: ok 38341
188: ok 38342
188: ok 38343
188: ok 38344
188: ok 38345
188: ok 38346
188: ok 38347
188: ok 38348
188: ok 38349
188: ok 38350
188: ok 38351
188: ok 38352
188: ok 38353
188: ok 38354
188: ok 38355
188: ok 38356
188: ok 38357
188: ok 38358
188: ok 38359
188: ok 38360
188: ok 38361
188: ok 38362
188: ok 38363
188: ok 38364
188: ok 38365
188: ok 38366
188: ok 38367
188: ok 38368
188: ok 38369
188: ok 38370
188: ok 38371
188: ok 38372
188: ok 38373
188: ok 38374
188: ok 38375
188: ok 38376
188: ok 38377
188: ok 38378
188: ok 38379
188: ok 38380
188: ok 38381
188: ok 38382
188: ok 38383
188: ok 38384
188: ok 38385
188: ok 38386
188: ok 38387
188: ok 38388
188: ok 38389
188: ok 38390
188: ok 38391
188: ok 38392
188: ok 38393
188: ok 38394
188: ok 38395
188: ok 38396
188: ok 38397
188: ok 38398
188: ok 38399
188: ok 38400
188: ok 38401
188: ok 38402
188: ok 38403
188: ok 38404
188: ok 38405
188: ok 38406
188: ok 38407
188: ok 38408
188: ok 38409
188: ok 38410
188: ok 38411
188: ok 38412
188: ok 38413
188: ok 38414
188: ok 38415
188: ok 38416
188: ok 38417
188: ok 38418
188: ok 38419
188: ok 38420
188: ok 38421
188: ok 38422
188: ok 38423
188: ok 38424
188: ok 38425
188: ok 38426
188: ok 38427
188: ok 38428
188: ok 38429
188: ok 38430
188: ok 38431
188: ok 38432
188: ok 38433
188: ok 38434
188: ok 38435
188: ok 38436
188: ok 38437
188: ok 38438
188: ok 38439
188: ok 38440
188: ok 38441
188: ok 38442
188: ok 38443
188: ok 38444
188: ok 38445
188: ok 38446
188: ok 38447
188: ok 38448
188: ok 38449
188: ok 38450
188: ok 38451
188: ok 38452
188: ok 38453
188: ok 38454
188: ok 38455
188: ok 38456
188: ok 38457
188: ok 38458
188: ok 38459
188: ok 38460
188: ok 38461
188: ok 38462
188: ok 38463
188: ok 38464
188: ok 38465
188: ok 38466
188: ok 38467
188: ok 38468
188: ok 38469
188: ok 38470
188: ok 38471
188: ok 38472
188: ok 38473
188: ok 38474
188: ok 38475
188: ok 38476
188: ok 38477
188: ok 38478
188: ok 38479
188: ok 38480
188: ok 38481
188: ok 38482
188: ok 38483
188: ok 38484
188: ok 38485
188: ok 38486
188: ok 38487
188: ok 38488
188: ok 38489
188: ok 38490
188: ok 38491
188: ok 38492
188: ok 38493
188: ok 38494
188: ok 38495
188: ok 38496
188: ok 38497
188: ok 38498
188: ok 38499
188: ok 38500
188: ok 38501
188: ok 38502
188: ok 38503
188: ok 38504
188: ok 38505
188: ok 38506
188: ok 38507
188: ok 38508
188: ok 38509
188: ok 38510
188: ok 38511
188: ok 38512
188: ok 38513
188: ok 38514
188: ok 38515
188: ok 38516
188: ok 38517
188: ok 38518
188: ok 38519
188: ok 38520
188: ok 38521
188: ok 38522
188: ok 38523
188: ok 38524
188: ok 38525
188: ok 38526
188: ok 38527
188: ok 38528
188: ok 38529
188: ok 38530
188: ok 38531
188: ok 38532
188: ok 38533
188: ok 38534
188: ok 38535
188: ok 38536
188: ok 38537
188: ok 38538
188: ok 38539
188: ok 38540
188: ok 38541
188: ok 38542
188: ok 38543
188: ok 38544
188: ok 38545
188: ok 38546
188: ok 38547
188: ok 38548
188: ok 38549
188: ok 38550
188: ok 38551
188: ok 38552
188: ok 38553
188: ok 38554
188: ok 38555
188: ok 38556
188: ok 38557
188: ok 38558
188: ok 38559
188: ok 38560
188: ok 38561
188: ok 38562
188: ok 38563
188: ok 38564
188: ok 38565
188: ok 38566
188: ok 38567
188: ok 38568
188: ok 38569
188: ok 38570
188: ok 38571
188: ok 38572
188: ok 38573
188: ok 38574
188: ok 38575
188: ok 38576
188: ok 38577
188: ok 38578
188: ok 38579
188: ok 38580
188: ok 38581
188: ok 38582
188: ok 38583
188: ok 38584
188: ok 38585
188: ok 38586
188: ok 38587
188: ok 38588
188: ok 38589
188: ok 38590
188: ok 38591
188: ok 38592
188: ok 38593
188: ok 38594
188: ok 38595
188: ok 38596
188: ok 38597
188: ok 38598
188: ok 38599
188: ok 38600
188: ok 38601
188: ok 38602
188: ok 38603
188: ok 38604
188: ok 38605
188: ok 38606
188: ok 38607
188: ok 38608
188: ok 38609
188: ok 38610
188: ok 38611
188: ok 38612
188: ok 38613
188: ok 38614
188: ok 38615
188: ok 38616
188: ok 38617
188: ok 38618
188: ok 38619
188: ok 38620
188: ok 38621
188: ok 38622
188: ok 38623
188: ok 38624
188: ok 38625
188: ok 38626
188: ok 38627
188: ok 38628
188: ok 38629
188: ok 38630
188: ok 38631
188: ok 38632
188: ok 38633
188: ok 38634
188: ok 38635
188: ok 38636
188: ok 38637
188: ok 38638
188: ok 38639
188: ok 38640
188: ok 38641
188: ok 38642
188: ok 38643
188: ok 38644
188: ok 38645
188: ok 38646
188: ok 38647
188: ok 38648
188: ok 38649
188: ok 38650
188: ok 38651
188: ok 38652
188: ok 38653
188: ok 38654
188: ok 38655
188: ok 38656
188: ok 38657
188: ok 38658
188: ok 38659
188: ok 38660
188: ok 38661
188: ok 38662
188: ok 38663
188: ok 38664
188: ok 38665
188: ok 38666
188: ok 38667
188: ok 38668
188: ok 38669
188: ok 38670
188: ok 38671
188: ok 38672
188: ok 38673
188: ok 38674
188: ok 38675
188: ok 38676
188: ok 38677
188: ok 38678
188: ok 38679
188: ok 38680
188: ok 38681
188: ok 38682
188: ok 38683
188: ok 38684
188: ok 38685
188: ok 38686
188: ok 38687
188: ok 38688
188: ok 38689
188: ok 38690
188: ok 38691
188: ok 38692
188: ok 38693
188: ok 38694
188: ok 38695
188: ok 38696
188: ok 38697
188: ok 38698
188: ok 38699
188: ok 38700
188: ok 38701
188: ok 38702
188: ok 38703
188: ok 38704
188: ok 38705
188: ok 38706
188: ok 38707
188: ok 38708
188: ok 38709
188: ok 38710
188: ok 38711
188: ok 38712
188: ok 38713
188: ok 38714
188: ok 38715
188: ok 38716
188: ok 38717
188: ok 38718
188: ok 38719
188: ok 38720
188: ok 38721
188: ok 38722
188: ok 38723
188: ok 38724
188: ok 38725
188: ok 38726
188: ok 38727
188: ok 38728
188: ok 38729
188: ok 38730
188: ok 38731
188: ok 38732
188: ok 38733
188: ok 38734
188: ok 38735
188: ok 38736
188: ok 38737
188: ok 38738
188: ok 38739
188: ok 38740
188: ok 38741
188: ok 38742
188: ok 38743
188: ok 38744
188: ok 38745
188: ok 38746
188: ok 38747
188: ok 38748
188: ok 38749
188: ok 38750
188: ok 38751
188: ok 38752
188: ok 38753
188: ok 38754
188: ok 38755
188: ok 38756
188: ok 38757
188: ok 38758
188: ok 38759
188: ok 38760
188: ok 38761
188: ok 38762
188: ok 38763
188: ok 38764
188: ok 38765
188: ok 38766
188: ok 38767
188: ok 38768
188: ok 38769
188: ok 38770
188: ok 38771
188: ok 38772
188: ok 38773
188: ok 38774
188: ok 38775
188: ok 38776
188: ok 38777
188: ok 38778
188: ok 38779
188: ok 38780
188: ok 38781
188: ok 38782
188: ok 38783
188: ok 38784
188: ok 38785
188: ok 38786
188: ok 38787
188: ok 38788
188: ok 38789
188: ok 38790
188: ok 38791
188: ok 38792
188: ok 38793
188: ok 38794
188: ok 38795
188: ok 38796
188: ok 38797
188: ok 38798
188: ok 38799
188: ok 38800
188: ok 38801
188: ok 38802
188: ok 38803
188: ok 38804
188: ok 38805
188: ok 38806
188: ok 38807
188: ok 38808
188: ok 38809
188: ok 38810
188: ok 38811
188: ok 38812
188: ok 38813
188: ok 38814
188: ok 38815
188: ok 38816
188: ok 38817
188: ok 38818
188: ok 38819
188: ok 38820
188: ok 38821
188: ok 38822
188: ok 38823
188: ok 38824
188: ok 38825
188: ok 38826
188: ok 38827
188: ok 38828
188: ok 38829
188: ok 38830
188: ok 38831
188: ok 38832
188: ok 38833
188: ok 38834
188: ok 38835
188: ok 38836
188: ok 38837
188: ok 38838
188: ok 38839
188: ok 38840
188: ok 38841
188: ok 38842
188: ok 38843
188: ok 38844
188: ok 38845
188: ok 38846
188: ok 38847
188: ok 38848
188: ok 38849
188: ok 38850
188: ok 38851
188: ok 38852
188: ok 38853
188: ok 38854
188: ok 38855
188: ok 38856
188: ok 38857
188: ok 38858
188: ok 38859
188: ok 38860
188: ok 38861
188: ok 38862
188: ok 38863
188: ok 38864
188: ok 38865
188: ok 38866
188: ok 38867
188: ok 38868
188: ok 38869
188: ok 38870
188: ok 38871
188: ok 38872
188: ok 38873
188: ok 38874
188: ok 38875
188: ok 38876
188: ok 38877
188: ok 38878
188: ok 38879
188: ok 38880
188: ok 38881
188: ok 38882
188: ok 38883
188: ok 38884
188: ok 38885
188: ok 38886
188: ok 38887
188: ok 38888
188: ok 38889
188: ok 38890
188: ok 38891
188: ok 38892
188: ok 38893
188: ok 38894
188: ok 38895
188: ok 38896
188: ok 38897
188: ok 38898
188: ok 38899
188: ok 38900
188: ok 38901
188: ok 38902
188: ok 38903
188: ok 38904
188: ok 38905
188: ok 38906
188: ok 38907
188: ok 38908
188: ok 38909
188: ok 38910
188: ok 38911
188: ok 38912
188: ok 38913
188: ok 38914
188: ok 38915
188: ok 38916
188: ok 38917
188: ok 38918
188: ok 38919
188: ok 38920
188: ok 38921
188: ok 38922
188: ok 38923
188: ok 38924
188: ok 38925
188: ok 38926
188: ok 38927
188: ok 38928
188: ok 38929
188: ok 38930
188: ok 38931
188: ok 38932
188: ok 38933
188: ok 38934
188: ok 38935
188: ok 38936
188: ok 38937
188: ok 38938
188: ok 38939
188: ok 38940
188: ok 38941
188: ok 38942
188: ok 38943
188: ok 38944
188: ok 38945
188: ok 38946
188: ok 38947
188: ok 38948
188: ok 38949
188: ok 38950
188: ok 38951
188: ok 38952
188: ok 38953
188: ok 38954
188: ok 38955
188: ok 38956
188: ok 38957
188: ok 38958
188: ok 38959
188: ok 38960
188: ok 38961
188: ok 38962
188: ok 38963
188: ok 38964
188: ok 38965
188: ok 38966
188: ok 38967
188: ok 38968
188: ok 38969
188: ok 38970
188: ok 38971
188: ok 38972
188: ok 38973
188: ok 38974
188: ok 38975
188: ok 38976
188: ok 38977
188: ok 38978
188: ok 38979
188: ok 38980
188: ok 38981
188: ok 38982
188: ok 38983
188: ok 38984
188: ok 38985
188: ok 38986
188: ok 38987
188: ok 38988
188: ok 38989
188: ok 38990
188: ok 38991
188: ok 38992
188: ok 38993
188: ok 38994
188: ok 38995
188: ok 38996
188: ok 38997
188: ok 38998
188: ok 38999
188: ok 39000
188: ok 39001
188: ok 39002
188: ok 39003
188: ok 39004
188: ok 39005
188: ok 39006
188: ok 39007
188: ok 39008
188: ok 39009
188: ok 39010
188: ok 39011
188: ok 39012
188: ok 39013
188: ok 39014
188: ok 39015
188: ok 39016
188: ok 39017
188: ok 39018
188: ok 39019
188: ok 39020
188: ok 39021
188: ok 39022
188: ok 39023
188: ok 39024
188: ok 39025
188: ok 39026
188: ok 39027
188: ok 39028
188: ok 39029
188: ok 39030
188: ok 39031
188: ok 39032
188: ok 39033
188: ok 39034
188: ok 39035
188: ok 39036
188: ok 39037
188: ok 39038
188: ok 39039
188: ok 39040
188: ok 39041
188: ok 39042
188: ok 39043
188: ok 39044
188: ok 39045
188: ok 39046
188: ok 39047
188: ok 39048
188: ok 39049
188: ok 39050
188: ok 39051
188: ok 39052
188: ok 39053
188: ok 39054
188: ok 39055
188: ok 39056
188: ok 39057
188: ok 39058
188: ok 39059
188: ok 39060
188: ok 39061
188: ok 39062
188: ok 39063
188: ok 39064
188: ok 39065
188: ok 39066
188: ok 39067
188: ok 39068
188: ok 39069
188: ok 39070
188: ok 39071
188: ok 39072
188: ok 39073
188: ok 39074
188: ok 39075
188: ok 39076
188: ok 39077
188: ok 39078
188: ok 39079
188: ok 39080
188: ok 39081
188: ok 39082
188: ok 39083
188: ok 39084
188: ok 39085
188: ok 39086
188: ok 39087
188: ok 39088
188: ok 39089
188: ok 39090
188: ok 39091
188: ok 39092
188: ok 39093
188: ok 39094
188: ok 39095
188: ok 39096
188: ok 39097
188: ok 39098
188: ok 39099
188: ok 39100
188: ok 39101
188: ok 39102
188: ok 39103
188: ok 39104
188: ok 39105
188: ok 39106
188: ok 39107
188: ok 39108
188: ok 39109
188: ok 39110
188: ok 39111
188: ok 39112
188: ok 39113
188: ok 39114
188: ok 39115
188: ok 39116
188: ok 39117
188: ok 39118
188: ok 39119
188: ok 39120
188: ok 39121
188: ok 39122
188: ok 39123
188: ok 39124
188: ok 39125
188: ok 39126
188: ok 39127
188: ok 39128
188: ok 39129
188: ok 39130
188: ok 39131
188: ok 39132
188: ok 39133
188: ok 39134
188: ok 39135
188: ok 39136
188: ok 39137
188: ok 39138
188: ok 39139
188: ok 39140
188: ok 39141
188: ok 39142
188: ok 39143
188: ok 39144
188: ok 39145
188: ok 39146
188: ok 39147
188: ok 39148
188: ok 39149
188: ok 39150
188: ok 39151
188: ok 39152
188: ok 39153
188: ok 39154
188: ok 39155
188: ok 39156
188: ok 39157
188: ok 39158
188: ok 39159
188: ok 39160
188: ok 39161
188: ok 39162
188: ok 39163
188: ok 39164
188: ok 39165
188: ok 39166
188: ok 39167
188: ok 39168
188: ok 39169
188: ok 39170
188: ok 39171
188: ok 39172
188: ok 39173
188: ok 39174
188: ok 39175
188: ok 39176
188: ok 39177
188: ok 39178
188: ok 39179
188: ok 39180
188: ok 39181
188: ok 39182
188: ok 39183
188: ok 39184
188: ok 39185
188: ok 39186
188: ok 39187
188: ok 39188
188: ok 39189
188: ok 39190
188: ok 39191
188: ok 39192
188: ok 39193
188: ok 39194
188: ok 39195
188: ok 39196
188: ok 39197
188: ok 39198
188: ok 39199
188: ok 39200
188: ok 39201
188: ok 39202
188: ok 39203
188: ok 39204
188: ok 39205
188: ok 39206
188: ok 39207
188: ok 39208
188: ok 39209
188: ok 39210
188: ok 39211
188: ok 39212
188: ok 39213
188: ok 39214
188: ok 39215
188: ok 39216
188: ok 39217
188: ok 39218
188: ok 39219
188: ok 39220
188: ok 39221
188: ok 39222
188: ok 39223
188: ok 39224
188: ok 39225
188: ok 39226
188: ok 39227
188: ok 39228
188: ok 39229
188: ok 39230
188: ok 39231
188: ok 39232
188: ok 39233
188: ok 39234
188: ok 39235
188: ok 39236
188: ok 39237
188: ok 39238
188: ok 39239
188: ok 39240
188: ok 39241
188: ok 39242
188: ok 39243
188: ok 39244
188: ok 39245
188: ok 39246
188: ok 39247
188: ok 39248
188: ok 39249
188: ok 39250
188: ok 39251
188: ok 39252
188: ok 39253
188: ok 39254
188: ok 39255
188: ok 39256
188: ok 39257
188: ok 39258
188: ok 39259
188: ok 39260
188: ok 39261
188: ok 39262
188: ok 39263
188: ok 39264
188: ok 39265
188: ok 39266
188: ok 39267
188: ok 39268
188: ok 39269
188: ok 39270
188: ok 39271
188: ok 39272
188: ok 39273
188: ok 39274
188: ok 39275
188: ok 39276
188: ok 39277
188: ok 39278
188: ok 39279
188: ok 39280
188: ok 39281
188: ok 39282
188: ok 39283
188: ok 39284
188: ok 39285
188: ok 39286
188: ok 39287
188: ok 39288
188: ok 39289
188: ok 39290
188: ok 39291
188: ok 39292
188: ok 39293
188: ok 39294
188: ok 39295
188: ok 39296
188: ok 39297
188: ok 39298
188: ok 39299
188: ok 39300
188: ok 39301
188: ok 39302
188: ok 39303
188: ok 39304
188: ok 39305
188: ok 39306
188: ok 39307
188: ok 39308
188: ok 39309
188: ok 39310
188: ok 39311
188: ok 39312
188: ok 39313
188: ok 39314
188: ok 39315
188: ok 39316
188: ok 39317
188: ok 39318
188: ok 39319
188: ok 39320
188: ok 39321
188: ok 39322
188: ok 39323
188: ok 39324
188: ok 39325
188: ok 39326
188: ok 39327
188: ok 39328
188: ok 39329
188: ok 39330
188: ok 39331
188: ok 39332
188: ok 39333
188: ok 39334
188: ok 39335
188: ok 39336
188: ok 39337
188: ok 39338
188: ok 39339
188: ok 39340
188: ok 39341
188: ok 39342
188: ok 39343
188: ok 39344
188: ok 39345
188: ok 39346
188: ok 39347
188: ok 39348
188: ok 39349
188: ok 39350
188: ok 39351
188: ok 39352
188: ok 39353
188: ok 39354
188: ok 39355
188: ok 39356
188: ok 39357
188: ok 39358
188: ok 39359
188: ok 39360
188: ok 39361
188: ok 39362
188: ok 39363
188: ok 39364
188: ok 39365
188: ok 39366
188: ok 39367
188: ok 39368
188: ok 39369
188: ok 39370
188: ok 39371
188: ok 39372
188: ok 39373
188: ok 39374
188: ok 39375
188: ok 39376
188: ok 39377
188: ok 39378
188: ok 39379
188: ok 39380
188: ok 39381
188: ok 39382
188: ok 39383
188: ok 39384
188: ok 39385
188: ok 39386
188: ok 39387
188: ok 39388
188: ok 39389
188: ok 39390
188: ok 39391
188: ok 39392
188: ok 39393
188: ok 39394
188: ok 39395
188: ok 39396
188: ok 39397
188: ok 39398
188: ok 39399
188: ok 39400
188: ok 39401
188: ok 39402
188: ok 39403
188: ok 39404
188: ok 39405
188: ok 39406
188: ok 39407
188: ok 39408
188: ok 39409
188: ok 39410
188: ok 39411
188: ok 39412
188: ok 39413
188: ok 39414
188: ok 39415
188: ok 39416
188: ok 39417
188: ok 39418
188: ok 39419
188: ok 39420
188: ok 39421
188: ok 39422
188: ok 39423
188: ok 39424
188: ok 39425
188: ok 39426
188: ok 39427
188: ok 39428
188: ok 39429
188: ok 39430
188: ok 39431
188: ok 39432
188: ok 39433
188: ok 39434
188: ok 39435
188: ok 39436
188: ok 39437
188: ok 39438
188: ok 39439
188: ok 39440
188: ok 39441
188: ok 39442
188: ok 39443
188: ok 39444
188: ok 39445
188: ok 39446
188: ok 39447
188: ok 39448
188: ok 39449
188: ok 39450
188: ok 39451
188: ok 39452
188: ok 39453
188: ok 39454
188: ok 39455
188: ok 39456
188: ok 39457
188: ok 39458
188: ok 39459
188: ok 39460
188: ok 39461
188: ok 39462
188: ok 39463
188: ok 39464
188: ok 39465
188: ok 39466
188: ok 39467
188: ok 39468
188: ok 39469
188: ok 39470
188: ok 39471
188: ok 39472
188: ok 39473
188: ok 39474
188: ok 39475
188: ok 39476
188: ok 39477
188: ok 39478
188: ok 39479
188: ok 39480
188: ok 39481
188: ok 39482
188: ok 39483
188: ok 39484
188: ok 39485
188: ok 39486
188: ok 39487
188: ok 39488
188: ok 39489
188: ok 39490
188: ok 39491
188: ok 39492
188: ok 39493
188: ok 39494
188: ok 39495
188: ok 39496
188: ok 39497
188: ok 39498
188: ok 39499
188: ok 39500
188: ok 39501
188: ok 39502
188: ok 39503
188: ok 39504
188: ok 39505
188: ok 39506
188: ok 39507
188: ok 39508
188: ok 39509
188: ok 39510
188: ok 39511
188: ok 39512
188: ok 39513
188: ok 39514
188: ok 39515
188: ok 39516
188: ok 39517
188: ok 39518
188: ok 39519
188: ok 39520
188: ok 39521
188: ok 39522
188: ok 39523
188: ok 39524
188: ok 39525
188: ok 39526
188: ok 39527
188: ok 39528
188: ok 39529
188: ok 39530
188: ok 39531
188: ok 39532
188: ok 39533
188: ok 39534
188: ok 39535
188: ok 39536
188: ok 39537
188: ok 39538
188: ok 39539
188: ok 39540
188: ok 39541
188: ok 39542
188: ok 39543
188: ok 39544
188: ok 39545
188: ok 39546
188: ok 39547
188: ok 39548
188: ok 39549
188: ok 39550
188: ok 39551
188: ok 39552
188: ok 39553
188: ok 39554
188: ok 39555
188: ok 39556
188: ok 39557
188: ok 39558
188: ok 39559
188: ok 39560
188: ok 39561
188: ok 39562
188: ok 39563
188: ok 39564
188: ok 39565
188: ok 39566
188: ok 39567
188: ok 39568
188: ok 39569
188: ok 39570
188: ok 39571
188: ok 39572
188: ok 39573
188: ok 39574
188: ok 39575
188: ok 39576
188: ok 39577
188: ok 39578
188: ok 39579
188: ok 39580
188: ok 39581
188: ok 39582
188: ok 39583
188: ok 39584
188: ok 39585
188: ok 39586
188: ok 39587
188: ok 39588
188: ok 39589
188: ok 39590
188: ok 39591
188: ok 39592
188: ok 39593
188: ok 39594
188: ok 39595
188: ok 39596
188: ok 39597
188: ok 39598
188: ok 39599
188: ok 39600
188: ok 39601
188: ok 39602
188: ok 39603
188: ok 39604
188: ok 39605
188: ok 39606
188: ok 39607
188: ok 39608
188: ok 39609
188: ok 39610
188: ok 39611
188: ok 39612
188: ok 39613
188: ok 39614
188: ok 39615
188: ok 39616
188: ok 39617
188: ok 39618
188: ok 39619
188: ok 39620
188: ok 39621
188: ok 39622
188: ok 39623
188: ok 39624
188: ok 39625
188: ok 39626
188: ok 39627
188: ok 39628
188: ok 39629
188: ok 39630
188: ok 39631
188: ok 39632
188: ok 39633
188: ok 39634
188: ok 39635
188: ok 39636
188: ok 39637
188: ok 39638
188: ok 39639
188: ok 39640
188: ok 39641
188: ok 39642
188: ok 39643
188: ok 39644
188: ok 39645
188: ok 39646
188: ok 39647
188: ok 39648
188: ok 39649
188: ok 39650
188: ok 39651
188: ok 39652
188: ok 39653
188: ok 39654
188: ok 39655
188: ok 39656
188: ok 39657
188: ok 39658
188: ok 39659
188: ok 39660
188: ok 39661
188: ok 39662
188: ok 39663
188: ok 39664
188: ok 39665
188: ok 39666
188: ok 39667
188: ok 39668
188: ok 39669
188: ok 39670
188: ok 39671
188: ok 39672
188: ok 39673
188: ok 39674
188: ok 39675
188: ok 39676
188: ok 39677
188: ok 39678
188: ok 39679
188: ok 39680
188: ok 39681
188: ok 39682
188: ok 39683
188: ok 39684
188: ok 39685
188: ok 39686
188: ok 39687
188: ok 39688
188: ok 39689
188: ok 39690
188: ok 39691
188: ok 39692
188: ok 39693
188: ok 39694
188: ok 39695
188: ok 39696
188: ok 39697
188: ok 39698
188: ok 39699
188: ok 39700
188: ok 39701
188: ok 39702
188: ok 39703
188: ok 39704
188: ok 39705
188: ok 39706
188: ok 39707
188: ok 39708
188: ok 39709
188: ok 39710
188: ok 39711
188: ok 39712
188: ok 39713
188: ok 39714
188: ok 39715
188: ok 39716
188: ok 39717
188: ok 39718
188: ok 39719
188: ok 39720
188: ok 39721
188: ok 39722
188: ok 39723
188: ok 39724
188: ok 39725
188: ok 39726
188: ok 39727
188: ok 39728
188: ok 39729
188: ok 39730
188: ok 39731
188: ok 39732
188: ok 39733
188: ok 39734
188: ok 39735
188: ok 39736
188: ok 39737
188: ok 39738
188: ok 39739
188: ok 39740
188: ok 39741
188: ok 39742
188: ok 39743
188: ok 39744
188: ok 39745
188: ok 39746
188: ok 39747
188: ok 39748
188: ok 39749
188: ok 39750
188: ok 39751
188: ok 39752
188: ok 39753
188: ok 39754
188: ok 39755
188: ok 39756
188: ok 39757
188: ok 39758
188: ok 39759
188: ok 39760
188: ok 39761
188: ok 39762
188: ok 39763
188: ok 39764
188: ok 39765
188: ok 39766
188: ok 39767
188: ok 39768
188: ok 39769
188: ok 39770
188: ok 39771
188: ok 39772
188: ok 39773
188: ok 39774
188: ok 39775
188: ok 39776
188: ok 39777
188: ok 39778
188: ok 39779
188: ok 39780
188: ok 39781
188: ok 39782
188: ok 39783
188: ok 39784
188: ok 39785
188: ok 39786
188: ok 39787
188: ok 39788
188: ok 39789
188: ok 39790
188: ok 39791
188: ok 39792
188: ok 39793
188: ok 39794
188: ok 39795
188: ok 39796
188: ok 39797
188: ok 39798
188: ok 39799
188: ok 39800
188: ok 39801
188: ok 39802
188: ok 39803
188: ok 39804
188: ok 39805
188: ok 39806
188: ok 39807
188: ok 39808
188: ok 39809
188: ok 39810
188: ok 39811
188: ok 39812
188: ok 39813
188: ok 39814
188: ok 39815
188: ok 39816
188: ok 39817
188: ok 39818
188: ok 39819
188: ok 39820
188: ok 39821
188: ok 39822
188: ok 39823
188: ok 39824
188: ok 39825
188: ok 39826
188: ok 39827
188: ok 39828
188: ok 39829
188: ok 39830
188: ok 39831
188: ok 39832
188: ok 39833
188: ok 39834
188: ok 39835
188: ok 39836
188: ok 39837
188: ok 39838
188: ok 39839
188: ok 39840
188: ok 39841
188: ok 39842
188: ok 39843
188: ok 39844
188: ok 39845
188: ok 39846
188: ok 39847
188: ok 39848
188: ok 39849
188: ok 39850
188: ok 39851
188: ok 39852
188: ok 39853
188: ok 39854
188: ok 39855
188: ok 39856
188: ok 39857
188: ok 39858
188: ok 39859
188: ok 39860
188: ok 39861
188: ok 39862
188: ok 39863
188: ok 39864
188: ok 39865
188: ok 39866
188: ok 39867
188: ok 39868
188: ok 39869
188: ok 39870
188: ok 39871
188: ok 39872
188: ok 39873
188: ok 39874
188: ok 39875
188: ok 39876
188: ok 39877
188: ok 39878
188: ok 39879
188: ok 39880
188: ok 39881
188: ok 39882
188: ok 39883
188: ok 39884
188: ok 39885
188: ok 39886
188: ok 39887
188: ok 39888
188: ok 39889
188: ok 39890
188: ok 39891
188: ok 39892
188: ok 39893
188: ok 39894
188: ok 39895
188: ok 39896
188: ok 39897
188: ok 39898
188: ok 39899
188: ok 39900
188: ok 39901
188: ok 39902
188: ok 39903
188: ok 39904
188: ok 39905
188: ok 39906
188: ok 39907
188: ok 39908
188: ok 39909
188: ok 39910
188: ok 39911
188: ok 39912
188: ok 39913
188: ok 39914
188: ok 39915
188: ok 39916
188: ok 39917
188: ok 39918
188: ok 39919
188: ok 39920
188: ok 39921
188: ok 39922
188: ok 39923
188: ok 39924
188: ok 39925
188: ok 39926
188: ok 39927
188: ok 39928
188: ok 39929
188: ok 39930
188: ok 39931
188: ok 39932
188: ok 39933
188: ok 39934
188: ok 39935
188: ok 39936
188: ok 39937
188: ok 39938
188: ok 39939
188: ok 39940
188: ok 39941
188: ok 39942
188: ok 39943
188: ok 39944
188: ok 39945
188: ok 39946
188: ok 39947
188: ok 39948
188: ok 39949
188: ok 39950
188: ok 39951
188: ok 39952
188: ok 39953
188: ok 39954
188: ok 39955
188: ok 39956
188: ok 39957
188: ok 39958
188: ok 39959
188: ok 39960
188: ok 39961
188: ok 39962
188: ok 39963
188: ok 39964
188: ok 39965
188: ok 39966
188: ok 39967
188: ok 39968
188: ok 39969
188: ok 39970
188: ok 39971
188: ok 39972
188: ok 39973
188: ok 39974
188: ok 39975
188: ok 39976
188: ok 39977
188: ok 39978
188: ok 39979
188: ok 39980
188: ok 39981
188: ok 39982
188: ok 39983
188: ok 39984
188: ok 39985
188: ok 39986
188: ok 39987
188: ok 39988
188: ok 39989
188: ok 39990
188: ok 39991
188: ok 39992
188: ok 39993
188: ok 39994
188: ok 39995
188: ok 39996
188: ok 39997
188: ok 39998
188: ok 39999
188: ok 40000
188: ok 40001
188: ok 40002
188: ok 40003
188: ok 40004
188: ok 40005
188: ok 40006
188: ok 40007
188: ok 40008
188: ok 40009
188: ok 40010
188: ok 40011
188: ok 40012
188: ok 40013
188: ok 40014
188: ok 40015
188: ok 40016
188: ok 40017
188: ok 40018
188: ok 40019
188: ok 40020
188: ok 40021
188: ok 40022
188: ok 40023
188: ok 40024
188: ok 40025
188: ok 40026
188: ok 40027
188: ok 40028
188: ok 40029
188: ok 40030
188: ok 40031
188: ok 40032
188: ok 40033
188: ok 40034
188: ok 40035
188: ok 40036
188: ok 40037
188: ok 40038
188: ok 40039
188: ok 40040
188: ok 40041
188: ok 40042
188: ok 40043
188: ok 40044
188: ok 40045
188: ok 40046
188: ok 40047
188: ok 40048
188: ok 40049
188: ok 40050
188: ok 40051
188: ok 40052
188: ok 40053
188: ok 40054
188: ok 40055
188: ok 40056
188: ok 40057
188: ok 40058
188: ok 40059
188: ok 40060
188: ok 40061
188: ok 40062
188: ok 40063
188: ok 40064
188: ok 40065
188: ok 40066
188: ok 40067
188: ok 40068
188: ok 40069
188: ok 40070
188: ok 40071
188: ok 40072
188: ok 40073
188: ok 40074
188: ok 40075
188: ok 40076
188: ok 40077
188: ok 40078
188: ok 40079
188: ok 40080
188: ok 40081
188: ok 40082
188: ok 40083
188: ok 40084
188: ok 40085
188: ok 40086
188: ok 40087
188: ok 40088
188: ok 40089
188: ok 40090
188: ok 40091
188: ok 40092
188: ok 40093
188: ok 40094
188: ok 40095
188: ok 40096
188: ok 40097
188: ok 40098
188: ok 40099
188: ok 40100
188: ok 40101
188: ok 40102
188: ok 40103
188: ok 40104
188: ok 40105
188: ok 40106
188: ok 40107
188: ok 40108
188: ok 40109
188: ok 40110
188: ok 40111
188: ok 40112
188: ok 40113
188: ok 40114
188: ok 40115
188: ok 40116
188: ok 40117
188: ok 40118
188: ok 40119
188: ok 40120
188: ok 40121
188: ok 40122
188: ok 40123
188: ok 40124
188: ok 40125
188: ok 40126
188: ok 40127
188: ok 40128
188: ok 40129
188: ok 40130
188: ok 40131
188: ok 40132
188: ok 40133
188: ok 40134
188: ok 40135
188: ok 40136
188: ok 40137
188: ok 40138
188: ok 40139
188: ok 40140
188: ok 40141
188: ok 40142
188: ok 40143
188: ok 40144
188: ok 40145
188: ok 40146
188: ok 40147
188: ok 40148
188: ok 40149
188: ok 40150
188: ok 40151
188: ok 40152
188: ok 40153
188: ok 40154
188: ok 40155
188: ok 40156
188: ok 40157
188: ok 40158
188: ok 40159
188: ok 40160
188: ok 40161
188: ok 40162
188: ok 40163
188: ok 40164
188: ok 40165
188: ok 40166
188: ok 40167
188: ok 40168
188: ok 40169
188: ok 40170
188: ok 40171
188: ok 40172
188: ok 40173
188: ok 40174
188: ok 40175
188: ok 40176
188: ok 40177
188: ok 40178
188: ok 40179
188: ok 40180
188: ok 40181
188: ok 40182
188: ok 40183
188: ok 40184
188: ok 40185
188: ok 40186
188: ok 40187
188: ok 40188
188: ok 40189
188: ok 40190
188: ok 40191
188: ok 40192
188: ok 40193
188: ok 40194
188: ok 40195
188: ok 40196
188: ok 40197
188: ok 40198
188: ok 40199
188: ok 40200
188: ok 40201
188: ok 40202
188: ok 40203
188: ok 40204
188: ok 40205
188: ok 40206
188: ok 40207
188: ok 40208
188: ok 40209
188: ok 40210
188: ok 40211
188: ok 40212
188: ok 40213
188: ok 40214
188: ok 40215
188: ok 40216
188: ok 40217
188: ok 40218
188: ok 40219
188: ok 40220
188: ok 40221
188: ok 40222
188: ok 40223
188: ok 40224
188: ok 40225
188: ok 40226
188: ok 40227
188: ok 40228
188: ok 40229
188: ok 40230
188: ok 40231
188: ok 40232
188: ok 40233
188: ok 40234
188: ok 40235
188: ok 40236
188: ok 40237
188: ok 40238
188: ok 40239
188: ok 40240
188: ok 40241
188: ok 40242
188: ok 40243
188: ok 40244
188: ok 40245
188: ok 40246
188: ok 40247
188: ok 40248
188: ok 40249
188: ok 40250
188: ok 40251
188: ok 40252
188: ok 40253
188: ok 40254
188: ok 40255
188: ok 40256
188: ok 40257
188: ok 40258
188: ok 40259
188: ok 40260
188: ok 40261
188: ok 40262
188: ok 40263
188: ok 40264
188: ok 40265
188: ok 40266
188: ok 40267
188: ok 40268
188: ok 40269
188: ok 40270
188: ok 40271
188: ok 40272
188: ok 40273
188: ok 40274
188: ok 40275
188: ok 40276
188: ok 40277
188: ok 40278
188: ok 40279
188: ok 40280
188: ok 40281
188: ok 40282
188: ok 40283
188: ok 40284
188: ok 40285
188: ok 40286
188: ok 40287
188: ok 40288
188: ok 40289
188: ok 40290
188: ok 40291
188: ok 40292
188: ok 40293
188: ok 40294
188: ok 40295
188: ok 40296
188: ok 40297
188: ok 40298
188: ok 40299
188: ok 40300
188: ok 40301
188: ok 40302
188: ok 40303
188: ok 40304
188: ok 40305
188: ok 40306
188: ok 40307
188: ok 40308
188: ok 40309
188: ok 40310
188: ok 40311
188: ok 40312
188: ok 40313
188: ok 40314
188: ok 40315
188: ok 40316
188: ok 40317
188: ok 40318
188: ok 40319
188: ok 40320
188: ok 40321
188: ok 40322
188: ok 40323
188: ok 40324
188: ok 40325
188: ok 40326
188: ok 40327
188: ok 40328
188: ok 40329
188: ok 40330
188: ok 40331
188: ok 40332
188: ok 40333
188: ok 40334
188: ok 40335
188: ok 40336
188: ok 40337
188: ok 40338
188: ok 40339
188: ok 40340
188: ok 40341
188: ok 40342
188: ok 40343
188: ok 40344
188: ok 40345
188: ok 40346
188: ok 40347
188: ok 40348
188: ok 40349
188: ok 40350
188: ok 40351
188: ok 40352
188: ok 40353
188: ok 40354
188: ok 40355
188: ok 40356
188: ok 40357
188: ok 40358
188: ok 40359
188: ok 40360
188: ok 40361
188: ok 40362
188: ok 40363
188: ok 40364
188: ok 40365
188: ok 40366
188: ok 40367
188: ok 40368
188: ok 40369
188: ok 40370
188: ok 40371
188: ok 40372
188: ok 40373
188: ok 40374
188: ok 40375
188: ok 40376
188: ok 40377
188: ok 40378
188: ok 40379
188: ok 40380
188: ok 40381
188: ok 40382
188: ok 40383
188: ok 40384
188: ok 40385
188: ok 40386
188: ok 40387
188: ok 40388
188: ok 40389
188: ok 40390
188: ok 40391
188: ok 40392
188: ok 40393
188: ok 40394
188: ok 40395
188: ok 40396
188: ok 40397
188: ok 40398
188: ok 40399
188: ok 40400
188: ok 40401
188: ok 40402
188: ok 40403
188: ok 40404
188: ok 40405
188: ok 40406
188: ok 40407
188: ok 40408
188: ok 40409
188: ok 40410
188: ok 40411
188: ok 40412
188: ok 40413
188: ok 40414
188: ok 40415
188: ok 40416
188: ok 40417
188: ok 40418
188: ok 40419
188: ok 40420
188: ok 40421
188: ok 40422
188: ok 40423
188: ok 40424
188: ok 40425
188: ok 40426
188: ok 40427
188: ok 40428
188: ok 40429
188: ok 40430
188: ok 40431
188: ok 40432
188: ok 40433
188: ok 40434
188: ok 40435
188: ok 40436
188: ok 40437
188: ok 40438
188: ok 40439
188: ok 40440
188: ok 40441
188: ok 40442
188: ok 40443
188: ok 40444
188: ok 40445
188: ok 40446
188: ok 40447
188: ok 40448
188: ok 40449
188: ok 40450
188: ok 40451
188: ok 40452
188: ok 40453
188: ok 40454
188: ok 40455
188: ok 40456
188: ok 40457
188: ok 40458
188: ok 40459
188: ok 40460
188: ok 40461
188: ok 40462
188: ok 40463
188: ok 40464
188: ok 40465
188: ok 40466
188: ok 40467
188: ok 40468
188: ok 40469
188: ok 40470
188: ok 40471
188: ok 40472
188: ok 40473
188: ok 40474
188: ok 40475
188: ok 40476
188: ok 40477
188: ok 40478
188: ok 40479
188: ok 40480
188: ok 40481
188: ok 40482
188: ok 40483
188: ok 40484
188: ok 40485
188: ok 40486
188: ok 40487
188: ok 40488
188: ok 40489
188: ok 40490
188: ok 40491
188: ok 40492
188: ok 40493
188: ok 40494
188: ok 40495
188: ok 40496
188: ok 40497
188: ok 40498
188: ok 40499
188: ok 40500
188: ok 40501
188: ok 40502
188: ok 40503
188: ok 40504
188: ok 40505
188: ok 40506
188: ok 40507
188: ok 40508
188: ok 40509
188: ok 40510
188: ok 40511
188: ok 40512
188: ok 40513
188: ok 40514
188: ok 40515
188: ok 40516
188: ok 40517
188: ok 40518
188: ok 40519
188: ok 40520
188: ok 40521
188: ok 40522
188: ok 40523
188: ok 40524
188: ok 40525
188: ok 40526
188: ok 40527
188: ok 40528
188: ok 40529
188: ok 40530
188: ok 40531
188: ok 40532
188: ok 40533
188: ok 40534
188: ok 40535
188: ok 40536
188: ok 40537
188: ok 40538
188: ok 40539
188: ok 40540
188: ok 40541
188: ok 40542
188: ok 40543
188: ok 40544
188: ok 40545
188: ok 40546
188: ok 40547
188: ok 40548
188: ok 40549
188: ok 40550
188: ok 40551
188: ok 40552
188: ok 40553
188: ok 40554
188: ok 40555
188: ok 40556
188: ok 40557
188: ok 40558
188: ok 40559
188: ok 40560
188: ok 40561
188: ok 40562
188: ok 40563
188: ok 40564
188: ok 40565
188: ok 40566
188: ok 40567
188: ok 40568
188: ok 40569
188: ok 40570
188: ok 40571
188: ok 40572
188: ok 40573
188: ok 40574
188: ok 40575
188: ok 40576
188: ok 40577
188: ok 40578
188: ok 40579
188: ok 40580
188: ok 40581
188: ok 40582
188: ok 40583
188: ok 40584
188: ok 40585
188: ok 40586
188: ok 40587
188: ok 40588
188: ok 40589
188: ok 40590
188: ok 40591
188: ok 40592
188: ok 40593
188: ok 40594
188: ok 40595
188: ok 40596
188: ok 40597
188: ok 40598
188: ok 40599
188: ok 40600
188: ok 40601
188: ok 40602
188: ok 40603
188: ok 40604
188: ok 40605
188: ok 40606
188: ok 40607
188: ok 40608
188: ok 40609
188: ok 40610
188: ok 40611
188: ok 40612
188: ok 40613
188: ok 40614
188: ok 40615
188: ok 40616
188: ok 40617
188: ok 40618
188: ok 40619
188: ok 40620
188: ok 40621
188: ok 40622
188: ok 40623
188: ok 40624
188: ok 40625
188: ok 40626
188: ok 40627
188: ok 40628
188: ok 40629
188: ok 40630
188: ok 40631
188: ok 40632
188: ok 40633
188: ok 40634
188: ok 40635
188: ok 40636
188: ok 40637
188: ok 40638
188: ok 40639
188: ok 40640
188: ok 40641
188: ok 40642
188: ok 40643
188: ok 40644
188: ok 40645
188: ok 40646
188: ok 40647
188: ok 40648
188: ok 40649
188: ok 40650
188: ok 40651
188: ok 40652
188: ok 40653
188: ok 40654
188: ok 40655
188: ok 40656
188: ok 40657
188: ok 40658
188: ok 40659
188: ok 40660
188: ok 40661
188: ok 40662
188: ok 40663
188: ok 40664
188: ok 40665
188: ok 40666
188: ok 40667
188: ok 40668
188: ok 40669
188: ok 40670
188: ok 40671
188: ok 40672
188: ok 40673
188: ok 40674
188: ok 40675
188: ok 40676
188: ok 40677
188: ok 40678
188: ok 40679
188: ok 40680
188: ok 40681
188: ok 40682
188: ok 40683
188: ok 40684
188: ok 40685
188: ok 40686
188: ok 40687
188: ok 40688
188: ok 40689
188: ok 40690
188: ok 40691
188: ok 40692
188: ok 40693
188: ok 40694
188: ok 40695
188: ok 40696
188: ok 40697
188: ok 40698
188: ok 40699
188: ok 40700
188: ok 40701
188: ok 40702
188: ok 40703
188: ok 40704
188: ok 40705
188: ok 40706
188: ok 40707
188: ok 40708
188: ok 40709
188: ok 40710
188: ok 40711
188: ok 40712
188: ok 40713
188: ok 40714
188: ok 40715
188: ok 40716
188: ok 40717
188: ok 40718
188: ok 40719
188: ok 40720
188: ok 40721
188: ok 40722
188: ok 40723
188: ok 40724
188: ok 40725
188: ok 40726
188: ok 40727
188: ok 40728
188: ok 40729
188: ok 40730
188: ok 40731
188: ok 40732
188: ok 40733
188: ok 40734
188: ok 40735
188: ok 40736
188: ok 40737
188: ok 40738
188: ok 40739
188: ok 40740
188: ok 40741
188: ok 40742
188: ok 40743
188: ok 40744
188: ok 40745
188: ok 40746
188: ok 40747
188: ok 40748
188: ok 40749
188: ok 40750
188: ok 40751
188: ok 40752
188: ok 40753
188: ok 40754
188: ok 40755
188: ok 40756
188: ok 40757
188: ok 40758
188: ok 40759
188: ok 40760
188: ok 40761
188: ok 40762
188: ok 40763
188: ok 40764
188: ok 40765
188: ok 40766
188: ok 40767
188: ok 40768
188: ok 40769
188: ok 40770
188: ok 40771
188: ok 40772
188: ok 40773
188: ok 40774
188: ok 40775
188: ok 40776
188: ok 40777
188: ok 40778
188: ok 40779
188: ok 40780
188: ok 40781
188: ok 40782
188: ok 40783
188: ok 40784
188: ok 40785
188: ok 40786
188: ok 40787
188: ok 40788
188: ok 40789
188: ok 40790
188: ok 40791
188: ok 40792
188: ok 40793
188: ok 40794
188: ok 40795
188: ok 40796
188: ok 40797
188: ok 40798
188: ok 40799
188: ok 40800
188: ok 40801
188: ok 40802
188: ok 40803
188: ok 40804
188: ok 40805
188: ok 40806
188: ok 40807
188: ok 40808
188: ok 40809
188: ok 40810
188: ok 40811
188: ok 40812
188: ok 40813
188: ok 40814
188: ok 40815
188: ok 40816
188: ok 40817
188: ok 40818
188: ok 40819
188: ok 40820
188: ok 40821
188: ok 40822
188: ok 40823
188: ok 40824
188: ok 40825
188: ok 40826
188: ok 40827
188: ok 40828
188: ok 40829
188: ok 40830
188: ok 40831
188: ok 40832
188: ok 40833
188: ok 40834
188: ok 40835
188: ok 40836
188: ok 40837
188: ok 40838
188: ok 40839
188: ok 40840
188: ok 40841
188: ok 40842
188: ok 40843
188: ok 40844
188: ok 40845
188: ok 40846
188: ok 40847
188: ok 40848
188: ok 40849
188: ok 40850
188: ok 40851
188: ok 40852
188: ok 40853
188: ok 40854
188: ok 40855
188: ok 40856
188: ok 40857
188: ok 40858
188: ok 40859
188: ok 40860
188: ok 40861
188: ok 40862
188: ok 40863
188: ok 40864
188: ok 40865
188: ok 40866
188: ok 40867
188: ok 40868
188: ok 40869
188: ok 40870
188: ok 40871
188: ok 40872
188: ok 40873
188: ok 40874
188: ok 40875
188: ok 40876
188: ok 40877
188: ok 40878
188: ok 40879
188: ok 40880
188: ok 40881
188: ok 40882
188: ok 40883
188: ok 40884
188: ok 40885
188: ok 40886
188: ok 40887
188: ok 40888
188: ok 40889
188: ok 40890
188: ok 40891
188: ok 40892
188: ok 40893
188: ok 40894
188: ok 40895
188: ok 40896
188: ok 40897
188: ok 40898
188: ok 40899
188: ok 40900
188: ok 40901
188: ok 40902
188: ok 40903
188: ok 40904
188: ok 40905
188: ok 40906
188: ok 40907
188: ok 40908
188: ok 40909
188: ok 40910
188: ok 40911
188: ok 40912
188: ok 40913
188: ok 40914
188: ok 40915
188: ok 40916
188: ok 40917
188: ok 40918
188: ok 40919
188: ok 40920
188: ok 40921
188: ok 40922
188: ok 40923
188: ok 40924
188: ok 40925
188: ok 40926
188: ok 40927
188: ok 40928
188: ok 40929
188: ok 40930
188: ok 40931
188: ok 40932
188: ok 40933
188: ok 40934
188: ok 40935
188: ok 40936
188: ok 40937
188: ok 40938
188: ok 40939
188: ok 40940
188: ok 40941
188: ok 40942
188: ok 40943
188: ok 40944
188: ok 40945
188: ok 40946
188: ok 40947
188: ok 40948
188: ok 40949
188: ok 40950
188: ok 40951
188: ok 40952
188: ok 40953
188: ok 40954
188: ok 40955
188: ok 40956
188: ok 40957
188: ok 40958
188: ok 40959
188: ok 40960
188: ok 40961
188: ok 40962
188: ok 40963
188: ok 40964
188: ok 40965
188: ok 40966
188: ok 40967
188: ok 40968
188: ok 40969
188: ok 40970
188: ok 40971
188: ok 40972
188: ok 40973
188: ok 40974
188: ok 40975
188: ok 40976
188: ok 40977
188: ok 40978
188: ok 40979
188: ok 40980
188: ok 40981
188: ok 40982
188: ok 40983
188: ok 40984
188: ok 40985
188: ok 40986
188: ok 40987
188: ok 40988
188: ok 40989
188: ok 40990
188: ok 40991
188: ok 40992
188: ok 40993
188: ok 40994
188: ok 40995
188: ok 40996
188: ok 40997
188: ok 40998
188: ok 40999
188: ok 41000
188: ok 41001
188: ok 41002
188: ok 41003
188: ok 41004
188: ok 41005
188: ok 41006
188: ok 41007
188: ok 41008
188: ok 41009
188: ok 41010
188: ok 41011
188: ok 41012
188: ok 41013
188: ok 41014
188: ok 41015
188: ok 41016
188: ok 41017
188: ok 41018
188: ok 41019
188: ok 41020
188: ok 41021
188: ok 41022
188: ok 41023
188: ok 41024
188: ok 41025
188: ok 41026
188: ok 41027
188: ok 41028
188: ok 41029
188: ok 41030
188: ok 41031
188: ok 41032
188: ok 41033
188: ok 41034
188: ok 41035
188: ok 41036
188: ok 41037
188: ok 41038
188: ok 41039
188: ok 41040
188: ok 41041
188: ok 41042
188: ok 41043
188: ok 41044
188: ok 41045
188: ok 41046
188: ok 41047
188: ok 41048
188: ok 41049
188: ok 41050
188: ok 41051
188: ok 41052
188: ok 41053
188: ok 41054
188: ok 41055
188: ok 41056
188: ok 41057
188: ok 41058
188: ok 41059
188: ok 41060
188: ok 41061
188: ok 41062
188: ok 41063
188: ok 41064
188: ok 41065
188: ok 41066
188: ok 41067
188: ok 41068
188: ok 41069
188: ok 41070
188: ok 41071
188: ok 41072
188: ok 41073
188: ok 41074
188: ok 41075
188: ok 41076
188: ok 41077
188: ok 41078
188: ok 41079
188: ok 41080
188: ok 41081
188: ok 41082
188: ok 41083
188: ok 41084
188: ok 41085
188: ok 41086
188: ok 41087
188: ok 41088
188: ok 41089
188: ok 41090
188: ok 41091
188: ok 41092
188: ok 41093
188: ok 41094
188: ok 41095
188: ok 41096
188: ok 41097
188: ok 41098
188: ok 41099
188: ok 41100
188: ok 41101
188: ok 41102
188: ok 41103
188: ok 41104
188: ok 41105
188: ok 41106
188: ok 41107
188: ok 41108
188: ok 41109
188: ok 41110
188: ok 41111
188: ok 41112
188: ok 41113
188: ok 41114
188: ok 41115
188: ok 41116
188: ok 41117
188: ok 41118
188: ok 41119
188: ok 41120
188: ok 41121
188: ok 41122
188: ok 41123
188: ok 41124
188: ok 41125
188: ok 41126
188: ok 41127
188: ok 41128
188: ok 41129
188: ok 41130
188: ok 41131
188: ok 41132
188: ok 41133
188: ok 41134
188: ok 41135
188: ok 41136
188: ok 41137
188: ok 41138
188: ok 41139
188: ok 41140
188: ok 41141
188: ok 41142
188: ok 41143
188: ok 41144
188: ok 41145
188: ok 41146
188: ok 41147
188: ok 41148
188: ok 41149
188: ok 41150
188: ok 41151
188: ok 41152
188: ok 41153
188: ok 41154
188: ok 41155
188: ok 41156
188: ok 41157
188: ok 41158
188: ok 41159
188: ok 41160
188: ok 41161
188: ok 41162
188: ok 41163
188: ok 41164
188: ok 41165
188: ok 41166
188: ok 41167
188: ok 41168
188: ok 41169
188: ok 41170
188: ok 41171
188: ok 41172
188: ok 41173
188: ok 41174
188: ok 41175
188: ok 41176
188: ok 41177
188: ok 41178
188: ok 41179
188: ok 41180
188: ok 41181
188: ok 41182
188: ok 41183
188: ok 41184
188: ok 41185
188: ok 41186
188: ok 41187
188: ok 41188
188: ok 41189
188: ok 41190
188: ok 41191
188: ok 41192
188: ok 41193
188: ok 41194
188: ok 41195
188: ok 41196
188: ok 41197
188: ok 41198
188: ok 41199
188: ok 41200
188: ok 41201
188: ok 41202
188: ok 41203
188: ok 41204
188: ok 41205
188: ok 41206
188: ok 41207
188: ok 41208
188: ok 41209
188: ok 41210
188: ok 41211
188: ok 41212
188: ok 41213
188: ok 41214
188: ok 41215
188: ok 41216
188: ok 41217
188: ok 41218
188: ok 41219
188: ok 41220
188: ok 41221
188: ok 41222
188: ok 41223
188: ok 41224
188: ok 41225
188: ok 41226
188: ok 41227
188: ok 41228
188: ok 41229
188: ok 41230
188: ok 41231
188: ok 41232
188: ok 41233
188: ok 41234
188: ok 41235
188: ok 41236
188: ok 41237
188: ok 41238
188: ok 41239
188: ok 41240
188: ok 41241
188: ok 41242
188: ok 41243
188: ok 41244
188: ok 41245
188: ok 41246
188: ok 41247
188: ok 41248
188: ok 41249
188: ok 41250
188: ok 41251
188: ok 41252
188: ok 41253
188: ok 41254
188: ok 41255
188: ok 41256
188: ok 41257
188: ok 41258
188: ok 41259
188: ok 41260
188: ok 41261
188: ok 41262
188: ok 41263
188: ok 41264
188: ok 41265
188: ok 41266
188: ok 41267
188: ok 41268
188: ok 41269
188: ok 41270
188: ok 41271
188: ok 41272
188: ok 41273
188: ok 41274
188: ok 41275
188: ok 41276
188: ok 41277
188: ok 41278
188: ok 41279
188: ok 41280
188: ok 41281
188: ok 41282
188: ok 41283
188: ok 41284
188: ok 41285
188: ok 41286
188: ok 41287
188: ok 41288
188: ok 41289
188: ok 41290
188: ok 41291
188: ok 41292
188: ok 41293
188: ok 41294
188: ok 41295
188: ok 41296
188: ok 41297
188: ok 41298
188: ok 41299
188: ok 41300
188: ok 41301
188: ok 41302
188: ok 41303
188: ok 41304
188: ok 41305
188: ok 41306
188: ok 41307
188: ok 41308
188: ok 41309
188: ok 41310
188: ok 41311
188: ok 41312
188: ok 41313
188: ok 41314
188: ok 41315
188: ok 41316
188: ok 41317
188: ok 41318
188: ok 41319
188: ok 41320
188: ok 41321
188: ok 41322
188: ok 41323
188: ok 41324
188: ok 41325
188: ok 41326
188: ok 41327
188: ok 41328
188: ok 41329
188: ok 41330
188: ok 41331
188: ok 41332
188: ok 41333
188: ok 41334
188: ok 41335
188: ok 41336
188: ok 41337
188: ok 41338
188: ok 41339
188: ok 41340
188: ok 41341
188: ok 41342
188: ok 41343
188: ok 41344
188: ok 41345
188: ok 41346
188: ok 41347
188: ok 41348
188: ok 41349
188: ok 41350
188: ok 41351
188: ok 41352
188: ok 41353
188: ok 41354
188: ok 41355
188: ok 41356
188: ok 41357
188: ok 41358
188: ok 41359
188: ok 41360
188: ok 41361
188: ok 41362
188: ok 41363
188: ok 41364
188: ok 41365
188: ok 41366
188: ok 41367
188: ok 41368
188: ok 41369
188: ok 41370
188: ok 41371
188: ok 41372
188: ok 41373
188: ok 41374
188: ok 41375
188: ok 41376
188: ok 41377
188: ok 41378
188: ok 41379
188: ok 41380
188: ok 41381
188: ok 41382
188: ok 41383
188: ok 41384
188: ok 41385
188: ok 41386
188: ok 41387
188: ok 41388
188: ok 41389
188: ok 41390
188: ok 41391
188: ok 41392
188: ok 41393
188: ok 41394
188: ok 41395
188: ok 41396
188: ok 41397
188: ok 41398
188: ok 41399
188: ok 41400
188: ok 41401
188: ok 41402
188: ok 41403
188: ok 41404
188: ok 41405
188: ok 41406
188: ok 41407
188: ok 41408
188: ok 41409
188: ok 41410
188: ok 41411
188: ok 41412
188: ok 41413
188: ok 41414
188: ok 41415
188: ok 41416
188: ok 41417
188: ok 41418
188: ok 41419
188: ok 41420
188: ok 41421
188: ok 41422
188: ok 41423
188: ok 41424
188: ok 41425
188: ok 41426
188: ok 41427
188: ok 41428
188: ok 41429
188: ok 41430
188: ok 41431
188: ok 41432
188: ok 41433
188: ok 41434
188: ok 41435
188: ok 41436
188: ok 41437
188: ok 41438
188: ok 41439
188: ok 41440
188: ok 41441
188: ok 41442
188: ok 41443
188: ok 41444
188: ok 41445
188: ok 41446
188: ok 41447
188: ok 41448
188: ok 41449
188: ok 41450
188: ok 41451
188: ok 41452
188: ok 41453
188: ok 41454
188: ok 41455
188: ok 41456
188: ok 41457
188: ok 41458
188: ok 41459
188: ok 41460
188: ok 41461
188: ok 41462
188: ok 41463
188: ok 41464
188: ok 41465
188: ok 41466
188: ok 41467
188: ok 41468
188: ok 41469
188: ok 41470
188: ok 41471
188: ok 41472
188: ok 41473
188: ok 41474
188: ok 41475
188: ok 41476
188: ok 41477
188: ok 41478
188: ok 41479
188: ok 41480
188: ok 41481
188: ok 41482
188: ok 41483
188: ok 41484
188: ok 41485
188: ok 41486
188: ok 41487
188: ok 41488
188: ok 41489
188: ok 41490
188: ok 41491
188: ok 41492
188: ok 41493
188: ok 41494
188: ok 41495
188: ok 41496
188: ok 41497
188: ok 41498
188: ok 41499
188: ok 41500
188: ok 41501
188: ok 41502
188: ok 41503
188: ok 41504
188: ok 41505
188: ok 41506
188: ok 41507
188: ok 41508
188: ok 41509
188: ok 41510
188: ok 41511
188: ok 41512
188: ok 41513
188: ok 41514
188: ok 41515
188: ok 41516
188: ok 41517
188: ok 41518
188: ok 41519
188: ok 41520
188: ok 41521
188: ok 41522
188: ok 41523
188: ok 41524
188: ok 41525
188: ok 41526
188: ok 41527
188: ok 41528
188: ok 41529
188: ok 41530
188: ok 41531
188: ok 41532
188: ok 41533
188: ok 41534
188: ok 41535
188: ok 41536
188: ok 41537
188: ok 41538
188: ok 41539
188: ok 41540
188: ok 41541
188: ok 41542
188: ok 41543
188: ok 41544
188: ok 41545
188: ok 41546
188: ok 41547
188: ok 41548
188: ok 41549
188: ok 41550
188: ok 41551
188: ok 41552
188: ok 41553
188: ok 41554
188: ok 41555
188: ok 41556
188: ok 41557
188: ok 41558
188: ok 41559
188: ok 41560
188: ok 41561
188: ok 41562
188: ok 41563
188: ok 41564
188: ok 41565
188: ok 41566
188: ok 41567
188: ok 41568
188: ok 41569
188: ok 41570
188: ok 41571
188: ok 41572
188: ok 41573
188: ok 41574
188: ok 41575
188: ok 41576
188: ok 41577
188: ok 41578
188: ok 41579
188: ok 41580
188: ok 41581
188: ok 41582
188: ok 41583
188: ok 41584
188: ok 41585
188: ok 41586
188: ok 41587
188: ok 41588
188: ok 41589
188: ok 41590
188: ok 41591
188: ok 41592
188: ok 41593
188: ok 41594
188: ok 41595
188: ok 41596
188: ok 41597
188: ok 41598
188: ok 41599
188: ok 41600
188: ok 41601
188: ok 41602
188: ok 41603
188: ok 41604
188: ok 41605
188: ok 41606
188: ok 41607
188: ok 41608
188: ok 41609
188: ok 41610
188: ok 41611
188: ok 41612
188: ok 41613
188: ok 41614
188: ok 41615
188: ok 41616
188: ok 41617
188: ok 41618
188: ok 41619
188: ok 41620
188: ok 41621
188: ok 41622
188: ok 41623
188: ok 41624
188: ok 41625
188: ok 41626
188: ok 41627
188: ok 41628
188: ok 41629
188: ok 41630
188: ok 41631
188: ok 41632
188: ok 41633
188: ok 41634
188: ok 41635
188: ok 41636
188: ok 41637
188: ok 41638
188: ok 41639
188: ok 41640
188: ok 41641
188: ok 41642
188: ok 41643
188: ok 41644
188: ok 41645
188: ok 41646
188: ok 41647
188: ok 41648
188: ok 41649
188: ok 41650
188: ok 41651
188: ok 41652
188: ok 41653
188: ok 41654
188: ok 41655
188: ok 41656
188: ok 41657
188: ok 41658
188: ok 41659
188: ok 41660
188: ok 41661
188: ok 41662
188: ok 41663
188: ok 41664
188: ok 41665
188: ok 41666
188: ok 41667
188: ok 41668
188: ok 41669
188: ok 41670
188: ok 41671
188: ok 41672
188: ok 41673
188: ok 41674
188: ok 41675
188: ok 41676
188: ok 41677
188: ok 41678
188: ok 41679
188: ok 41680
188: ok 41681
188: ok 41682
188: ok 41683
188: ok 41684
188: ok 41685
188: ok 41686
188: ok 41687
188: ok 41688
188: ok 41689
188: ok 41690
188: ok 41691
188: ok 41692
188: ok 41693
188: ok 41694
188: ok 41695
188: ok 41696
188: ok 41697
188: ok 41698
188: ok 41699
188: ok 41700
188: ok 41701
188: ok 41702
188: ok 41703
188: ok 41704
188: ok 41705
188: ok 41706
188: ok 41707
188: ok 41708
188: ok 41709
188: ok 41710
188: ok 41711
188: ok 41712
188: ok 41713
188: ok 41714
188: ok 41715
188: ok 41716
188: ok 41717
188: ok 41718
188: ok 41719
188: ok 41720
188: ok 41721
188: ok 41722
188: ok 41723
188: ok 41724
188: ok 41725
188: ok 41726
188: ok 41727
188: ok 41728
188: ok 41729
188: ok 41730
188: ok 41731
188: ok 41732
188: ok 41733
188: ok 41734
188: ok 41735
188: ok 41736
188: ok 41737
188: ok 41738
188: ok 41739
188: ok 41740
188: ok 41741
188: ok 41742
188: ok 41743
188: ok 41744
188: ok 41745
188: ok 41746
188: ok 41747
188: ok 41748
188: ok 41749
188: ok 41750
188: ok 41751
188: ok 41752
188: ok 41753
188: ok 41754
188: ok 41755
188: ok 41756
188: ok 41757
188: ok 41758
188: ok 41759
188: ok 41760
188: ok 41761
188: ok 41762
188: ok 41763
188: ok 41764
188: ok 41765
188: ok 41766
188: ok 41767
188: ok 41768
188: ok 41769
188: ok 41770
188: ok 41771
188: ok 41772
188: ok 41773
188: ok 41774
188: ok 41775
188: ok 41776
188: ok 41777
188: ok 41778
188: ok 41779
188: ok 41780
188: ok 41781
188: ok 41782
188: ok 41783
188: ok 41784
188: ok 41785
188: ok 41786
188: ok 41787
188: ok 41788
188: ok 41789
188: ok 41790
188: ok 41791
188: ok 41792
188: ok 41793
188: ok 41794
188: ok 41795
188: ok 41796
188: ok 41797
188: ok 41798
188: ok 41799
188: ok 41800
188: ok 41801
188: ok 41802
188: ok 41803
188: ok 41804
188: ok 41805
188: ok 41806
188: ok 41807
188: ok 41808
188: ok 41809
188: ok 41810
188: ok 41811
188: ok 41812
188: ok 41813
188: ok 41814
188: ok 41815
188: ok 41816
188: ok 41817
188: ok 41818
188: ok 41819
188: ok 41820
188: ok 41821
188: ok 41822
188: ok 41823
188: ok 41824
188: ok 41825
188: ok 41826
188: ok 41827
188: ok 41828
188: ok 41829
188: ok 41830
188: ok 41831
188: ok 41832
188: ok 41833
188: ok 41834
188: ok 41835
188: ok 41836
188: ok 41837
188: ok 41838
188: ok 41839
188: ok 41840
188: ok 41841
188: ok 41842
188: ok 41843
188: ok 41844
188: ok 41845
188: ok 41846
188: ok 41847
188: ok 41848
188: ok 41849
188: ok 41850
188: ok 41851
188: ok 41852
188: ok 41853
188: ok 41854
188: ok 41855
188: ok 41856
188: ok 41857
188: ok 41858
188: ok 41859
188: ok 41860
188: ok 41861
188: ok 41862
188: ok 41863
188: ok 41864
188: ok 41865
188: ok 41866
188: ok 41867
188: ok 41868
188: ok 41869
188: ok 41870
188: ok 41871
188: ok 41872
188: ok 41873
188: ok 41874
188: ok 41875
188: ok 41876
188: ok 41877
188: ok 41878
188: ok 41879
188: ok 41880
188: ok 41881
188: ok 41882
188: ok 41883
188: ok 41884
188: ok 41885
188: ok 41886
188: ok 41887
188: ok 41888
188: ok 41889
188: ok 41890
188: ok 41891
188: ok 41892
188: ok 41893
188: ok 41894
188: ok 41895
188: ok 41896
188: ok 41897
188: ok 41898
188: ok 41899
188: ok 41900
188: ok 41901
188: ok 41902
188: ok 41903
188: ok 41904
188: ok 41905
188: ok 41906
188: ok 41907
188: ok 41908
188: ok 41909
188: ok 41910
188: ok 41911
188: ok 41912
188: ok 41913
188: ok 41914
188: ok 41915
188: ok 41916
188: ok 41917
188: ok 41918
188: ok 41919
188: ok 41920
188: ok 41921
188: ok 41922
188: ok 41923
188: ok 41924
188: ok 41925
188: ok 41926
188: ok 41927
188: ok 41928
188: ok 41929
188: ok 41930
188: ok 41931
188: ok 41932
188: ok 41933
188: ok 41934
188: ok 41935
188: ok 41936
188: ok 41937
188: ok 41938
188: ok 41939
188: ok 41940
188: ok 41941
188: ok 41942
188: ok 41943
188: ok 41944
188: ok 41945
188: ok 41946
188: ok 41947
188: ok 41948
188: ok 41949
188: ok 41950
188: ok 41951
188: ok 41952
188: ok 41953
188: ok 41954
188: ok 41955
188: ok 41956
188: ok 41957
188: ok 41958
188: ok 41959
188: ok 41960
188: ok 41961
188: ok 41962
188: ok 41963
188: ok 41964
188: ok 41965
188: ok 41966
188: ok 41967
188: ok 41968
188: ok 41969
188: ok 41970
188: ok 41971
188: ok 41972
188: ok 41973
188: ok 41974
188: ok 41975
188: ok 41976
188: ok 41977
188: ok 41978
188: ok 41979
188: ok 41980
188: ok 41981
188: ok 41982
188: ok 41983
188: ok 41984
188: ok 41985
188: ok 41986
188: ok 41987
188: ok 41988
188: ok 41989
188: ok 41990
188: ok 41991
188: ok 41992
188: ok 41993
188: ok 41994
188: ok 41995
188: ok 41996
188: ok 41997
188: ok 41998
188: ok 41999
188: ok 42000
188: ok 42001
188: ok 42002
188: ok 42003
188: ok 42004
188: ok 42005
188: ok 42006
188: ok 42007
188: ok 42008
188: ok 42009
188: ok 42010
188: ok 42011
188: ok 42012
188: ok 42013
188: ok 42014
188: ok 42015
188: ok 42016
188: ok 42017
188: ok 42018
188: ok 42019
188: ok 42020
188: ok 42021
188: ok 42022
188: ok 42023
188: ok 42024
188: ok 42025
188: ok 42026
188: ok 42027
188: ok 42028
188: ok 42029
188: ok 42030
188: ok 42031
188: ok 42032
188: ok 42033
188: ok 42034
188: ok 42035
188: ok 42036
188: ok 42037
188: ok 42038
188: ok 42039
188: ok 42040
188: ok 42041
188: ok 42042
188: ok 42043
188: ok 42044
188: ok 42045
188: ok 42046
188: ok 42047
188: ok 42048
188: ok 42049
188: ok 42050
188: ok 42051
188: ok 42052
188: ok 42053
188: ok 42054
188: ok 42055
188: ok 42056
188: ok 42057
188: ok 42058
188: ok 42059
188: ok 42060
188: ok 42061
188: ok 42062
188: ok 42063
188: ok 42064
188: ok 42065
188: ok 42066
188: ok 42067
188: ok 42068
188: ok 42069
188: ok 42070
188: ok 42071
188: ok 42072
188: ok 42073
188: ok 42074
188: ok 42075
188: ok 42076
188: ok 42077
188: ok 42078
188: ok 42079
188: ok 42080
188: ok 42081
188: ok 42082
188: ok 42083
188: ok 42084
188: ok 42085
188: ok 42086
188: ok 42087
188: ok 42088
188: ok 42089
188: ok 42090
188: ok 42091
188: ok 42092
188: ok 42093
188: ok 42094
188: ok 42095
188: ok 42096
188: ok 42097
188: ok 42098
188: ok 42099
188: ok 42100
188: ok 42101
188: ok 42102
188: ok 42103
188: ok 42104
188: ok 42105
188: ok 42106
188: ok 42107
188: ok 42108
188: ok 42109
188: ok 42110
188: ok 42111
188: ok 42112
188: ok 42113
188: ok 42114
188: ok 42115
188: ok 42116
188: ok 42117
188: ok 42118
188: ok 42119
188: ok 42120
188: ok 42121
188: ok 42122
188: ok 42123
188: ok 42124
188: ok 42125
188: ok 42126
188: ok 42127
188: ok 42128
188: ok 42129
188: ok 42130
188: ok 42131
188: ok 42132
188: ok 42133
188: ok 42134
188: ok 42135
188: ok 42136
188: ok 42137
188: ok 42138
188: ok 42139
188: ok 42140
188: ok 42141
188: ok 42142
188: ok 42143
188: ok 42144
188: ok 42145
188: ok 42146
188: ok 42147
188: ok 42148
188: ok 42149
188: ok 42150
188: ok 42151
188: ok 42152
188: ok 42153
188: ok 42154
188: ok 42155
188: ok 42156
188: ok 42157
188: ok 42158
188: ok 42159
188: ok 42160
188: ok 42161
188: ok 42162
188: ok 42163
188: ok 42164
188: ok 42165
188: ok 42166
188: ok 42167
188: ok 42168
188: ok 42169
188: ok 42170
188: ok 42171
188: ok 42172
188: ok 42173
188: ok 42174
188: ok 42175
188: ok 42176
188: ok 42177
188: ok 42178
188: ok 42179
188: ok 42180
188: ok 42181
188: ok 42182
188: ok 42183
188: ok 42184
188: ok 42185
188: ok 42186
188: ok 42187
188: ok 42188
188: ok 42189
188: ok 42190
188: ok 42191
188: ok 42192
188: ok 42193
188: ok 42194
188: ok 42195
188: ok 42196
188: ok 42197
188: ok 42198
188: ok 42199
188: ok 42200
188: ok 42201
188: ok 42202
188: ok 42203
188: ok 42204
188: ok 42205
188: ok 42206
188: ok 42207
188: ok 42208
188: ok 42209
188: ok 42210
188: ok 42211
188: ok 42212
188: ok 42213
188: ok 42214
188: ok 42215
188: ok 42216
188: ok 42217
188: ok 42218
188: ok 42219
188: ok 42220
188: ok 42221
188: ok 42222
188: ok 42223
188: ok 42224
188: ok 42225
188: ok 42226
188: ok 42227
188: ok 42228
188: ok 42229
188: ok 42230
188: ok 42231
188: ok 42232
188: ok 42233
188: ok 42234
188: ok 42235
188: ok 42236
188: ok 42237
188: ok 42238
188: ok 42239
188: ok 42240
188: ok 42241
188: ok 42242
188: ok 42243
188: ok 42244
188: ok 42245
188: ok 42246
188: ok 42247
188: ok 42248
188: ok 42249
188: ok 42250
188: ok 42251
188: ok 42252
188: ok 42253
188: ok 42254
188: ok 42255
188: ok 42256
188: ok 42257
188: ok 42258
188: ok 42259
188: ok 42260
188: ok 42261
188: ok 42262
188: ok 42263
188: ok 42264
188: ok 42265
188: ok 42266
188: ok 42267
188: ok 42268
188: ok 42269
188: ok 42270
188: ok 42271
188: ok 42272
188: ok 42273
188: ok 42274
188: ok 42275
188: ok 42276
188: ok 42277
188: ok 42278
188: ok 42279
188: ok 42280
188: ok 42281
188: ok 42282
188: ok 42283
188: ok 42284
188: ok 42285
188: ok 42286
188: ok 42287
188: ok 42288
188: ok 42289
188: ok 42290
188: ok 42291
188: ok 42292
188: ok 42293
188: ok 42294
188: ok 42295
188: ok 42296
188: ok 42297
188: ok 42298
188: ok 42299
188: ok 42300
188: ok 42301
188: ok 42302
188: ok 42303
188: ok 42304
188: ok 42305
188: ok 42306
188: ok 42307
188: ok 42308
188: ok 42309
188: ok 42310
188: ok 42311
188: ok 42312
188: ok 42313
188: ok 42314
188: ok 42315
188: ok 42316
188: ok 42317
188: ok 42318
188: ok 42319
188: ok 42320
188: ok 42321
188: ok 42322
188: ok 42323
188: ok 42324
188: ok 42325
188: ok 42326
188: ok 42327
188: ok 42328
188: ok 42329
188: ok 42330
188: ok 42331
188: ok 42332
188: ok 42333
188: ok 42334
188: ok 42335
188: ok 42336
188: ok 42337
188: ok 42338
188: ok 42339
188: ok 42340
188: ok 42341
188: ok 42342
188: ok 42343
188: ok 42344
188: ok 42345
188: ok 42346
188: ok 42347
188: ok 42348
188: ok 42349
188: ok 42350
188: ok 42351
188: ok 42352
188: ok 42353
188: ok 42354
188: ok 42355
188: ok 42356
188: ok 42357
188: ok 42358
188: ok 42359
188: ok 42360
188: ok 42361
188: ok 42362
188: ok 42363
188: ok 42364
188: ok 42365
188: ok 42366
188: ok 42367
188: ok 42368
188: ok 42369
188: ok 42370
188: ok 42371
188: ok 42372
188: ok 42373
188: ok 42374
188: ok 42375
188: ok 42376
188: ok 42377
188: ok 42378
188: ok 42379
188: ok 42380
188: ok 42381
188: ok 42382
188: ok 42383
188: ok 42384
188: ok 42385
188: ok 42386
188: ok 42387
188: ok 42388
188: ok 42389
188: ok 42390
188: ok 42391
188: ok 42392
188: ok 42393
188: ok 42394
188: ok 42395
188: ok 42396
188: ok 42397
188: ok 42398
188: ok 42399
188: ok 42400
188: ok 42401
188: ok 42402
188: ok 42403
188: ok 42404
188: ok 42405
188: ok 42406
188: ok 42407
188: ok 42408
188: ok 42409
188: ok 42410
188: ok 42411
188: ok 42412
188: ok 42413
188: ok 42414
188: ok 42415
188: ok 42416
188: ok 42417
188: ok 42418
188: ok 42419
188: ok 42420
188: ok 42421
188: ok 42422
188: ok 42423
188: ok 42424
188: ok 42425
188: ok 42426
188: ok 42427
188: ok 42428
188: ok 42429
188: ok 42430
188: ok 42431
188: ok 42432
188: ok 42433
188: ok 42434
188: ok 42435
188: ok 42436
188: ok 42437
188: ok 42438
188: ok 42439
188: ok 42440
188: ok 42441
188: ok 42442
188: ok 42443
188: ok 42444
188: ok 42445
188: ok 42446
188: ok 42447
188: ok 42448
188: ok 42449
188: ok 42450
188: ok 42451
188: ok 42452
188: ok 42453
188: ok 42454
188: ok 42455
188: ok 42456
188: ok 42457
188: ok 42458
188: ok 42459
188: ok 42460
188: ok 42461
188: ok 42462
188: ok 42463
188: ok 42464
188: ok 42465
188: ok 42466
188: ok 42467
188: ok 42468
188: ok 42469
188: ok 42470
188: ok 42471
188: ok 42472
188: ok 42473
188: ok 42474
188: ok 42475
188: ok 42476
188: ok 42477
188: ok 42478
188: ok 42479
188: ok 42480
188: ok 42481
188: ok 42482
188: ok 42483
188: ok 42484
188: ok 42485
188: ok 42486
188: ok 42487
188: ok 42488
188: ok 42489
188: ok 42490
188: ok 42491
188: ok 42492
188: ok 42493
188: ok 42494
188: ok 42495
188: ok 42496
188: ok 42497
188: ok 42498
188: ok 42499
188: ok 42500
188: ok 42501
188: ok 42502
188: ok 42503
188: ok 42504
188: ok 42505
188: ok 42506
188: ok 42507
188: ok 42508
188: ok 42509
188: ok 42510
188: ok 42511
188: ok 42512
188: ok 42513
188: ok 42514
188: ok 42515
188: ok 42516
188: ok 42517
188: ok 42518
188: ok 42519
188: ok 42520
188: ok 42521
188: ok 42522
188: ok 42523
188: ok 42524
188: ok 42525
188: ok 42526
188: ok 42527
188: ok 42528
188: ok 42529
188: ok 42530
188: ok 42531
188: ok 42532
188: ok 42533
188: ok 42534
188: ok 42535
188: ok 42536
188: ok 42537
188: ok 42538
188: ok 42539
188: ok 42540
188: ok 42541
188: ok 42542
188: ok 42543
188: ok 42544
188: ok 42545
188: ok 42546
188: ok 42547
188: ok 42548
188: ok 42549
188: ok 42550
188: ok 42551
188: ok 42552
188: ok 42553
188: ok 42554
188: ok 42555
188: ok 42556
188: ok 42557
188: ok 42558
188: ok 42559
188: ok 42560
188: ok 42561
188: ok 42562
188: ok 42563
188: ok 42564
188: ok 42565
188: ok 42566
188: ok 42567
188: ok 42568
188: ok 42569
188: ok 42570
188: ok 42571
188: ok 42572
188: ok 42573
188: ok 42574
188: ok 42575
188: ok 42576
188: ok 42577
188: ok 42578
188: ok 42579
188: ok 42580
188: ok 42581
188: ok 42582
188: ok 42583
188: ok 42584
188: ok 42585
188: ok 42586
188: ok 42587
188: ok 42588
188: ok 42589
188: ok 42590
188: ok 42591
188: ok 42592
188: ok 42593
188: ok 42594
188: ok 42595
188: ok 42596
188: ok 42597
188: ok 42598
188: ok 42599
188: ok 42600
188: ok 42601
188: ok 42602
188: ok 42603
188: ok 42604
188: ok 42605
188: ok 42606
188: ok 42607
188: ok 42608
188: ok 42609
188: ok 42610
188: ok 42611
188: ok 42612
188: ok 42613
188: ok 42614
188: ok 42615
188: ok 42616
188: ok 42617
188: ok 42618
188: ok 42619
188: ok 42620
188: ok 42621
188: ok 42622
188: ok 42623
188: ok 42624
188: ok 42625
188: ok 42626
188: ok 42627
188: ok 42628
188: ok 42629
188: ok 42630
188: ok 42631
188: ok 42632
188: ok 42633
188: ok 42634
188: ok 42635
188: ok 42636
188: ok 42637
188: ok 42638
188: ok 42639
188: ok 42640
188: ok 42641
188: ok 42642
188: ok 42643
188: ok 42644
188: ok 42645
188: ok 42646
188: ok 42647
188: ok 42648
188: ok 42649
188: ok 42650
188: ok 42651
188: ok 42652
188: ok 42653
188: ok 42654
188: ok 42655
188: ok 42656
188: ok 42657
188: ok 42658
188: ok 42659
188: ok 42660
188: ok 42661
188: ok 42662
188: ok 42663
188: ok 42664
188: ok 42665
188: ok 42666
188: ok 42667
188: ok 42668
188: ok 42669
188: ok 42670
188: ok 42671
188: ok 42672
188: ok 42673
188: ok 42674
188: ok 42675
188: ok 42676
188: ok 42677
188: ok 42678
188: ok 42679
188: ok 42680
188: ok 42681
188: ok 42682
188: ok 42683
188: ok 42684
188: ok 42685
188: ok 42686
188: ok 42687
188: ok 42688
188: ok 42689
188: ok 42690
188: ok 42691
188: ok 42692
188: ok 42693
188: ok 42694
188: ok 42695
188: ok 42696
188: ok 42697
188: ok 42698
188: ok 42699
188: ok 42700
188: ok 42701
188: ok 42702
188: ok 42703
188: ok 42704
188: ok 42705
188: ok 42706
188: ok 42707
188: ok 42708
188: ok 42709
188: ok 42710
188: ok 42711
188: ok 42712
188: ok 42713
188: ok 42714
188: ok 42715
188: ok 42716
188: ok 42717
188: ok 42718
188: ok 42719
188: ok 42720
188: ok 42721
188: ok 42722
188: ok 42723
188: ok 42724
188: ok 42725
188: ok 42726
188: ok 42727
188: ok 42728
188: ok 42729
188: ok 42730
188: ok 42731
188: ok 42732
188: ok 42733
188: ok 42734
188: ok 42735
188: ok 42736
188: ok 42737
188: ok 42738
188: ok 42739
188: ok 42740
188: ok 42741
188: ok 42742
188: ok 42743
188: ok 42744
188: ok 42745
188: ok 42746
188: ok 42747
188: ok 42748
188: ok 42749
188: ok 42750
188: ok 42751
188: ok 42752
188: ok 42753
188: ok 42754
188: ok 42755
188: ok 42756
188: ok 42757
188: ok 42758
188: ok 42759
188: ok 42760
188: ok 42761
188: ok 42762
188: ok 42763
188: ok 42764
188: ok 42765
188: ok 42766
188: ok 42767
188: ok 42768
188: ok 42769
188: ok 42770
188: ok 42771
188: ok 42772
188: ok 42773
188: ok 42774
188: ok 42775
188: ok 42776
188: ok 42777
188: ok 42778
188: ok 42779
188: ok 42780
188: ok 42781
188: ok 42782
188: ok 42783
188: ok 42784
188: ok 42785
188: ok 42786
188: ok 42787
188: ok 42788
188: ok 42789
188: ok 42790
188: ok 42791
188: ok 42792
188: ok 42793
188: ok 42794
188: ok 42795
188: ok 42796
188: ok 42797
188: ok 42798
188: ok 42799
188: ok 42800
188: ok 42801
188: ok 42802
188: ok 42803
188: ok 42804
188: ok 42805
188: ok 42806
188: ok 42807
188: ok 42808
188: ok 42809
188: ok 42810
188: ok 42811
188: ok 42812
188: ok 42813
188: ok 42814
188: ok 42815
188: ok 42816
188: ok 42817
188: ok 42818
188: ok 42819
188: ok 42820
188: ok 42821
188: ok 42822
188: ok 42823
188: ok 42824
188: ok 42825
188: ok 42826
188: ok 42827
188: ok 42828
188: ok 42829
188: ok 42830
188: ok 42831
188: ok 42832
188: ok 42833
188: ok 42834
188: ok 42835
188: ok 42836
188: ok 42837
188: ok 42838
188: ok 42839
188: ok 42840
188: ok 42841
188: ok 42842
188: ok 42843
188: ok 42844
188: ok 42845
188: ok 42846
188: ok 42847
188: ok 42848
188: ok 42849
188: ok 42850
188: ok 42851
188: ok 42852
188: ok 42853
188: ok 42854
188: ok 42855
188: ok 42856
188: ok 42857
188: ok 42858
188: ok 42859
188: ok 42860
188: ok 42861
188: ok 42862
188: ok 42863
188: ok 42864
188: ok 42865
188: ok 42866
188: ok 42867
188: ok 42868
188: ok 42869
188: ok 42870
188: ok 42871
188: ok 42872
188: ok 42873
188: ok 42874
188: ok 42875
188: ok 42876
188: ok 42877
188: ok 42878
188: ok 42879
188: ok 42880
188: ok 42881
188: ok 42882
188: ok 42883
188: ok 42884
188: ok 42885
188: ok 42886
188: ok 42887
188: ok 42888
188: ok 42889
188: ok 42890
188: ok 42891
188: ok 42892
188: ok 42893
188: ok 42894
188: ok 42895
188: ok 42896
188: ok 42897
188: ok 42898
188: ok 42899
188: ok 42900
188: ok 42901
188: ok 42902
188: ok 42903
188: ok 42904
188: ok 42905
188: ok 42906
188: ok 42907
188: ok 42908
188: ok 42909
188: ok 42910
188: ok 42911
188: ok 42912
188: ok 42913
188: ok 42914
188: ok 42915
188: ok 42916
188: ok 42917
188: ok 42918
188: ok 42919
188: ok 42920
188: ok 42921
188: ok 42922
188: ok 42923
188: ok 42924
188: ok 42925
188: ok 42926
188: ok 42927
188: ok 42928
188: ok 42929
188: ok 42930
188: ok 42931
188: ok 42932
188: ok 42933
188: ok 42934
188: ok 42935
188: ok 42936
188: ok 42937
188: ok 42938
188: ok 42939
188: ok 42940
188: ok 42941
188: ok 42942
188: ok 42943
188: ok 42944
188: ok 42945
188: ok 42946
188: ok 42947
188: ok 42948
188: ok 42949
188: ok 42950
188: ok 42951
188: ok 42952
188: ok 42953
188: ok 42954
188: ok 42955
188: ok 42956
188: ok 42957
188: ok 42958
188: ok 42959
188: ok 42960
188: ok 42961
188: ok 42962
188: ok 42963
188: ok 42964
188: ok 42965
188: ok 42966
188: ok 42967
188: ok 42968
188: ok 42969
188: ok 42970
188: ok 42971
188: ok 42972
188: ok 42973
188: ok 42974
188: ok 42975
188: ok 42976
188: ok 42977
188: ok 42978
188: ok 42979
188: ok 42980
188: ok 42981
188: ok 42982
188: ok 42983
188: ok 42984
188: ok 42985
188: ok 42986
188: ok 42987
188: ok 42988
188: ok 42989
188: ok 42990
188: ok 42991
188: ok 42992
188: ok 42993
188: ok 42994
188: ok 42995
188: ok 42996
188: ok 42997
188: ok 42998
188: ok 42999
188: ok 43000
188: ok 43001
188: ok 43002
188: ok 43003
188: ok 43004
188: ok 43005
188: ok 43006
188: ok 43007
188: ok 43008
188: ok 43009
188: ok 43010
188: ok 43011
188: ok 43012
188: ok 43013
188: ok 43014
188: ok 43015
188: ok 43016
188: ok 43017
188: ok 43018
188: ok 43019
188: ok 43020
188: ok 43021
188: ok 43022
188: ok 43023
188: ok 43024
188: ok 43025
188: ok 43026
188: ok 43027
188: ok 43028
188: ok 43029
188: ok 43030
188: ok 43031
188: ok 43032
188: ok 43033
188: ok 43034
188: ok 43035
188: ok 43036
188: ok 43037
188: ok 43038
188: ok 43039
188: ok 43040
188: ok 43041
188: ok 43042
188: ok 43043
188: ok 43044
188: ok 43045
188: ok 43046
188: ok 43047
188: ok 43048
188: ok 43049
188: ok 43050
188: ok 43051
188: ok 43052
188: ok 43053
188: ok 43054
188: ok 43055
188: ok 43056
188: ok 43057
188: ok 43058
188: ok 43059
188: ok 43060
188: ok 43061
188: ok 43062
188: ok 43063
188: ok 43064
188: ok 43065
188: ok 43066
188: ok 43067
188: ok 43068
188: ok 43069
188: ok 43070
188: ok 43071
188: ok 43072
188: ok 43073
188: ok 43074
188: ok 43075
188: ok 43076
188: ok 43077
188: ok 43078
188: ok 43079
188: ok 43080
188: ok 43081
188: ok 43082
188: ok 43083
188: ok 43084
188: ok 43085
188: ok 43086
188: ok 43087
188: ok 43088
188: ok 43089
188: ok 43090
188: ok 43091
188: ok 43092
188: ok 43093
188: ok 43094
188: ok 43095
188: ok 43096
188: ok 43097
188: ok 43098
188: ok 43099
188: ok 43100
188: ok 43101
188: ok 43102
188: ok 43103
188: ok 43104
188: ok 43105
188: ok 43106
188: ok 43107
188: ok 43108
188: ok 43109
188: ok 43110
188: ok 43111
188: ok 43112
188: ok 43113
188: ok 43114
188: ok 43115
188: ok 43116
188: ok 43117
188: ok 43118
188: ok 43119
188: ok 43120
188: ok 43121
188: ok 43122
188: ok 43123
188: ok 43124
188: ok 43125
188: ok 43126
188: ok 43127
188: ok 43128
188: ok 43129
188: ok 43130
188: ok 43131
188: ok 43132
188: ok 43133
188: ok 43134
188: ok 43135
188: ok 43136
188: ok 43137
188: ok 43138
188: ok 43139
188: ok 43140
188: ok 43141
188: ok 43142
188: ok 43143
188: ok 43144
188: ok 43145
188: ok 43146
188: ok 43147
188: ok 43148
188: ok 43149
188: ok 43150
188: ok 43151
188: ok 43152
188: ok 43153
188: ok 43154
188: ok 43155
188: ok 43156
188: ok 43157
188: ok 43158
188: ok 43159
188: ok 43160
188: ok 43161
188: ok 43162
188: ok 43163
188: ok 43164
188: ok 43165
188: ok 43166
188: ok 43167
188: ok 43168
188: ok 43169
188: ok 43170
188: ok 43171
188: ok 43172
188: ok 43173
188: ok 43174
188: ok 43175
188: ok 43176
188: ok 43177
188: ok 43178
188: ok 43179
188: ok 43180
188: ok 43181
188: ok 43182
188: ok 43183
188: ok 43184
188: ok 43185
188: ok 43186
188: ok 43187
188: ok 43188
188: ok 43189
188: ok 43190
188: ok 43191
188: ok 43192
188: ok 43193
188: ok 43194
188: ok 43195
188: ok 43196
188: ok 43197
188: ok 43198
188: ok 43199
188: ok 43200
188: ok 43201
188: ok 43202
188: ok 43203
188: ok 43204
188: ok 43205
188: ok 43206
188: ok 43207
188: ok 43208
188: ok 43209
188: ok 43210
188: ok 43211
188: ok 43212
188: ok 43213
188: ok 43214
188: ok 43215
188: ok 43216
188: ok 43217
188: ok 43218
188: ok 43219
188: ok 43220
188: ok 43221
188: ok 43222
188: ok 43223
188: ok 43224
188: ok 43225
188: ok 43226
188: ok 43227
188: ok 43228
188: ok 43229
188: ok 43230
188: ok 43231
188: ok 43232
188: ok 43233
188: ok 43234
188: ok 43235
188: ok 43236
188: ok 43237
188: ok 43238
188: ok 43239
188: ok 43240
188: ok 43241
188: ok 43242
188: ok 43243
188: ok 43244
188: ok 43245
188: ok 43246
188: ok 43247
188: ok 43248
188: ok 43249
188: ok 43250
188: ok 43251
188: ok 43252
188: ok 43253
188: ok 43254
188: ok 43255
188: ok 43256
188: ok 43257
188: ok 43258
188: ok 43259
188: ok 43260
188: ok 43261
188: ok 43262
188: ok 43263
188: ok 43264
188: ok 43265
188: ok 43266
188: ok 43267
188: ok 43268
188: ok 43269
188: ok 43270
188: ok 43271
188: ok 43272
188: ok 43273
188: ok 43274
188: ok 43275
188: ok 43276
188: ok 43277
188: ok 43278
188: ok 43279
188: ok 43280
188: ok 43281
188: ok 43282
188: ok 43283
188: ok 43284
188: ok 43285
188: ok 43286
188: ok 43287
188: ok 43288
188: ok 43289
188: ok 43290
188: ok 43291
188: ok 43292
188: ok 43293
188: ok 43294
188: ok 43295
188: ok 43296
188: ok 43297
188: ok 43298
188: ok 43299
188: ok 43300
188: ok 43301
188: ok 43302
188: ok 43303
188: ok 43304
188: ok 43305
188: ok 43306
188: ok 43307
188: ok 43308
188: ok 43309
188: ok 43310
188: ok 43311
188: ok 43312
188: ok 43313
188: ok 43314
188: ok 43315
188: ok 43316
188: ok 43317
188: ok 43318
188: ok 43319
188: ok 43320
188: ok 43321
188: ok 43322
188: ok 43323
188: ok 43324
188: ok 43325
188: ok 43326
188: ok 43327
188: ok 43328
188: ok 43329
188: ok 43330
188: ok 43331
188: ok 43332
188: ok 43333
188: ok 43334
188: ok 43335
188: ok 43336
188: ok 43337
188: ok 43338
188: ok 43339
188: ok 43340
188: ok 43341
188: ok 43342
188: ok 43343
188: ok 43344
188: ok 43345
188: ok 43346
188: ok 43347
188: ok 43348
188: ok 43349
188: ok 43350
188: ok 43351
188: ok 43352
188: ok 43353
188: ok 43354
188: ok 43355
188: ok 43356
188: ok 43357
188: ok 43358
188: ok 43359
188: ok 43360
188: ok 43361
188: ok 43362
188: ok 43363
188: ok 43364
188: ok 43365
188: ok 43366
188: ok 43367
188: ok 43368
188: ok 43369
188: ok 43370
188: ok 43371
188: ok 43372
188: ok 43373
188: ok 43374
188: ok 43375
188: ok 43376
188: ok 43377
188: ok 43378
188: ok 43379
188: ok 43380
188: ok 43381
188: ok 43382
188: ok 43383
188: ok 43384
188: ok 43385
188: ok 43386
188: ok 43387
188: ok 43388
188: ok 43389
188: ok 43390
188: ok 43391
188: ok 43392
188: ok 43393
188: ok 43394
188: ok 43395
188: ok 43396
188: ok 43397
188: ok 43398
188: ok 43399
188: ok 43400
188: ok 43401
188: ok 43402
188: ok 43403
188: ok 43404
188: ok 43405
188: ok 43406
188: ok 43407
188: ok 43408
188: ok 43409
188: ok 43410
188: ok 43411
188: ok 43412
188: ok 43413
188: ok 43414
188: ok 43415
188: ok 43416
188: ok 43417
188: ok 43418
188: ok 43419
188: ok 43420
188: ok 43421
188: ok 43422
188: ok 43423
188: ok 43424
188: ok 43425
188: ok 43426
188: ok 43427
188: ok 43428
188: ok 43429
188: ok 43430
188: ok 43431
188: ok 43432
188: ok 43433
188: ok 43434
188: ok 43435
188: ok 43436
188: ok 43437
188: ok 43438
188: ok 43439
188: ok 43440
188: ok 43441
188: ok 43442
188: ok 43443
188: ok 43444
188: ok 43445
188: ok 43446
188: ok 43447
188: ok 43448
188: ok 43449
188: ok 43450
188: ok 43451
188: ok 43452
188: ok 43453
188: ok 43454
188: ok 43455
188: ok 43456
188: ok 43457
188: ok 43458
188: ok 43459
188: ok 43460
188: ok 43461
188: ok 43462
188: ok 43463
188: ok 43464
188: ok 43465
188: ok 43466
188: ok 43467
188: ok 43468
188: ok 43469
188: ok 43470
188: ok 43471
188: ok 43472
188: ok 43473
188: ok 43474
188: ok 43475
188: ok 43476
188: ok 43477
188: ok 43478
188: ok 43479
188: ok 43480
188: ok 43481
188: ok 43482
188: ok 43483
188: ok 43484
188: ok 43485
188: ok 43486
188: ok 43487
188: ok 43488
188: ok 43489
188: ok 43490
188: ok 43491
188: ok 43492
188: ok 43493
188: ok 43494
188: ok 43495
188: ok 43496
188: ok 43497
188: ok 43498
188: ok 43499
188: ok 43500
188: ok 43501
188: ok 43502
188: ok 43503
188: ok 43504
188: ok 43505
188: ok 43506
188: ok 43507
188: ok 43508
188: ok 43509
188: ok 43510
188: ok 43511
188: ok 43512
188: ok 43513
188: ok 43514
188: ok 43515
188: ok 43516
188: ok 43517
188: ok 43518
188: ok 43519
188: ok 43520
188: ok 43521
188: ok 43522
188: ok 43523
188: ok 43524
188: ok 43525
188: ok 43526
188: ok 43527
188: ok 43528
188: ok 43529
188: ok 43530
188: ok 43531
188: ok 43532
188: ok 43533
188: ok 43534
188: ok 43535
188: ok 43536
188: ok 43537
188: ok 43538
188: ok 43539
188: ok 43540
188: ok 43541
188: ok 43542
188: ok 43543
188: ok 43544
188: ok 43545
188: ok 43546
188: ok 43547
188: ok 43548
188: ok 43549
188: ok 43550
188: ok 43551
188: ok 43552
188: ok 43553
188: ok 43554
188: ok 43555
188: ok 43556
188: ok 43557
188: ok 43558
188: ok 43559
188: ok 43560
188: ok 43561
188: ok 43562
188: ok 43563
188: ok 43564
188: ok 43565
188: ok 43566
188: ok 43567
188: ok 43568
188: ok 43569
188: ok 43570
188: ok 43571
188: ok 43572
188: ok 43573
188: ok 43574
188: ok 43575
188: ok 43576
188: ok 43577
188: ok 43578
188: ok 43579
188: ok 43580
188: ok 43581
188: ok 43582
188: ok 43583
188: ok 43584
188: ok 43585
188: ok 43586
188: ok 43587
188: ok 43588
188: ok 43589
188: ok 43590
188: ok 43591
188: ok 43592
188: ok 43593
188: ok 43594
188: ok 43595
188: ok 43596
188: ok 43597
188: ok 43598
188: ok 43599
188: ok 43600
188: ok 43601
188: ok 43602
188: ok 43603
188: ok 43604
188: ok 43605
188: ok 43606
188: ok 43607
188: ok 43608
188: ok 43609
188: ok 43610
188: ok 43611
188: ok 43612
188: ok 43613
188: ok 43614
188: ok 43615
188: ok 43616
188: ok 43617
188: ok 43618
188: ok 43619
188: ok 43620
188: ok 43621
188: ok 43622
188: ok 43623
188: ok 43624
188: ok 43625
188: ok 43626
188: ok 43627
188: ok 43628
188: ok 43629
188: ok 43630
188: ok 43631
188: ok 43632
188: ok 43633
188: ok 43634
188: ok 43635
188: ok 43636
188: ok 43637
188: ok 43638
188: ok 43639
188: ok 43640
188: ok 43641
188: ok 43642
188: ok 43643
188: ok 43644
188: ok 43645
188: ok 43646
188: ok 43647
188: ok 43648
188: ok 43649
188: ok 43650
188: ok 43651
188: ok 43652
188: ok 43653
188: ok 43654
188: ok 43655
188: ok 43656
188: ok 43657
188: ok 43658
188: ok 43659
188: ok 43660
188: ok 43661
188: ok 43662
188: ok 43663
188: ok 43664
188: ok 43665
188: ok 43666
188: ok 43667
188: ok 43668
188: ok 43669
188: ok 43670
188: ok 43671
188: ok 43672
188: ok 43673
188: ok 43674
188: ok 43675
188: ok 43676
188: ok 43677
188: ok 43678
188: ok 43679
188: ok 43680
188: ok 43681
188: ok 43682
188: ok 43683
188: ok 43684
188: ok 43685
188: ok 43686
188: ok 43687
188: ok 43688
188: ok 43689
188: ok 43690
188: ok 43691
188: ok 43692
188: ok 43693
188: ok 43694
188: ok 43695
188: ok 43696
188: ok 43697
188: ok 43698
188: ok 43699
188: ok 43700
188: ok 43701
188: ok 43702
188: ok 43703
188: ok 43704
188: ok 43705
188: ok 43706
188: ok 43707
188: ok 43708
188: ok 43709
188: ok 43710
188: ok 43711
188: ok 43712
188: ok 43713
188: ok 43714
188: ok 43715
188: ok 43716
188: ok 43717
188: ok 43718
188: ok 43719
188: ok 43720
188: ok 43721
188: ok 43722
188: ok 43723
188: ok 43724
188: ok 43725
188: ok 43726
188: ok 43727
188: ok 43728
188: ok 43729
188: ok 43730
188: ok 43731
188: ok 43732
188: ok 43733
188: ok 43734
188: ok 43735
188: ok 43736
188: ok 43737
188: ok 43738
188: ok 43739
188: ok 43740
188: ok 43741
188: ok 43742
188: ok 43743
188: ok 43744
188: ok 43745
188: ok 43746
188: ok 43747
188: ok 43748
188: ok 43749
188: ok 43750
188: ok 43751
188: ok 43752
188: ok 43753
188: ok 43754
188: ok 43755
188: ok 43756
188: ok 43757
188: ok 43758
188: ok 43759
188: ok 43760
188: ok 43761
188: ok 43762
188: ok 43763
188: ok 43764
188: ok 43765
188: ok 43766
188: ok 43767
188: ok 43768
188: ok 43769
188: ok 43770
188: ok 43771
188: ok 43772
188: ok 43773
188: ok 43774
188: ok 43775
188: ok 43776
188: ok 43777
188: ok 43778
188: ok 43779
188: ok 43780
188: ok 43781
188: ok 43782
188: ok 43783
188: ok 43784
188: ok 43785
188: ok 43786
188: ok 43787
188: ok 43788
188: ok 43789
188: ok 43790
188: ok 43791
188: ok 43792
188: ok 43793
188: ok 43794
188: ok 43795
188: ok 43796
188: ok 43797
188: ok 43798
188: ok 43799
188: ok 43800
188: ok 43801
188: ok 43802
188: ok 43803
188: ok 43804
188: ok 43805
188: ok 43806
188: ok 43807
188: ok 43808
188: ok 43809
188: ok 43810
188: ok 43811
188: ok 43812
188: ok 43813
188: ok 43814
188: ok 43815
188: ok 43816
188: ok 43817
188: ok 43818
188: ok 43819
188: ok 43820
188: ok 43821
188: ok 43822
188: ok 43823
188: ok 43824
188: ok 43825
188: ok 43826
188: ok 43827
188: ok 43828
188: ok 43829
188: ok 43830
188: ok 43831
188: ok 43832
188: ok 43833
188: ok 43834
188: ok 43835
188: ok 43836
188: ok 43837
188: ok 43838
188: ok 43839
188: ok 43840
188: ok 43841
188: ok 43842
188: ok 43843
188: ok 43844
188: ok 43845
188: ok 43846
188: ok 43847
188: ok 43848
188: ok 43849
188: ok 43850
188: ok 43851
188: ok 43852
188: ok 43853
188: ok 43854
188: ok 43855
188: ok 43856
188: ok 43857
188: ok 43858
188: ok 43859
188: ok 43860
188: ok 43861
188: ok 43862
188: ok 43863
188: ok 43864
188: ok 43865
188: ok 43866
188: ok 43867
188: ok 43868
188: ok 43869
188: ok 43870
188: ok 43871
188: ok 43872
188: ok 43873
188: ok 43874
188: ok 43875
188: ok 43876
188: ok 43877
188: ok 43878
188: ok 43879
188: ok 43880
188: ok 43881
188: ok 43882
188: ok 43883
188: ok 43884
188: ok 43885
188: ok 43886
188: ok 43887
188: ok 43888
188: ok 43889
188: ok 43890
188: ok 43891
188: ok 43892
188: ok 43893
188: ok 43894
188: ok 43895
188: ok 43896
188: ok 43897
188: ok 43898
188: ok 43899
188: ok 43900
188: ok 43901
188: ok 43902
188: ok 43903
188: ok 43904
188: ok 43905
188: ok 43906
188: ok 43907
188: ok 43908
188: ok 43909
188: ok 43910
188: ok 43911
188: ok 43912
188: ok 43913
188: ok 43914
188: ok 43915
188: ok 43916
188: ok 43917
188: ok 43918
188: ok 43919
188: ok 43920
188: ok 43921
188: ok 43922
188: ok 43923
188: ok 43924
188: ok 43925
188: ok 43926
188: ok 43927
188: ok 43928
188: ok 43929
188: ok 43930
188: ok 43931
188: ok 43932
188: ok 43933
188: ok 43934
188: ok 43935
188: ok 43936
188: ok 43937
188: ok 43938
188: ok 43939
188: ok 43940
188: ok 43941
188: ok 43942
188: ok 43943
188: ok 43944
188: ok 43945
188: ok 43946
188: ok 43947
188: ok 43948
188: ok 43949
188: ok 43950
188: ok 43951
188: ok 43952
188: ok 43953
188: ok 43954
188: ok 43955
188: ok 43956
188: ok 43957
188: ok 43958
188: ok 43959
188: ok 43960
188: ok 43961
188: ok 43962
188: ok 43963
188: ok 43964
188: ok 43965
188: ok 43966
188: ok 43967
188: ok 43968
188: ok 43969
188: ok 43970
188: ok 43971
188: ok 43972
188: ok 43973
188: ok 43974
188: ok 43975
188: ok 43976
188: ok 43977
188: ok 43978
188: ok 43979
188: ok 43980
188: ok 43981
188: ok 43982
188: ok 43983
188: ok 43984
188: ok 43985
188: ok 43986
188: ok 43987
188: ok 43988
188: ok 43989
188: ok 43990
188: ok 43991
188: ok 43992
188: ok 43993
188: ok 43994
188: ok 43995
188: ok 43996
188: ok 43997
188: ok 43998
188: ok 43999
188: ok 44000
188: ok 44001
188: ok 44002
188: ok 44003
188: ok 44004
188: ok 44005
188: ok 44006
188: ok 44007
188: ok 44008
188: ok 44009
188: ok 44010
188: ok 44011
188: ok 44012
188: ok 44013
188: ok 44014
188: ok 44015
188: ok 44016
188: ok 44017
188: ok 44018
188: ok 44019
188: ok 44020
188: ok 44021
188: ok 44022
188: ok 44023
188: ok 44024
188: ok 44025
188: ok 44026
188: ok 44027
188: ok 44028
188: ok 44029
188: ok 44030
188: ok 44031
188: ok 44032
188: ok 44033
188: ok 44034
188: ok 44035
188: ok 44036
188: ok 44037
188: ok 44038
188: ok 44039
188: ok 44040
188: ok 44041
188: ok 44042
188: ok 44043
188: ok 44044
188: ok 44045
188: ok 44046
188: ok 44047
188: ok 44048
188: ok 44049
188: ok 44050
188: ok 44051
188: ok 44052
188: ok 44053
188: ok 44054
188: ok 44055
188: ok 44056
188: ok 44057
188: ok 44058
188: ok 44059
188: ok 44060
188: ok 44061
188: ok 44062
188: ok 44063
188: ok 44064
188: ok 44065
188: ok 44066
188: ok 44067
188: ok 44068
188: ok 44069
188: ok 44070
188: ok 44071
188: ok 44072
188: ok 44073
188: ok 44074
188: ok 44075
188: ok 44076
188: ok 44077
188: ok 44078
188: ok 44079
188: ok 44080
188: ok 44081
188: ok 44082
188: ok 44083
188: ok 44084
188: ok 44085
188: ok 44086
188: ok 44087
188: ok 44088
188: ok 44089
188: ok 44090
188: ok 44091
188: ok 44092
188: ok 44093
188: ok 44094
188: ok 44095
188: ok 44096
188: ok 44097
188: ok 44098
188: ok 44099
188: ok 44100
188: ok 44101
188: ok 44102
188: ok 44103
188: ok 44104
188: ok 44105
188: ok 44106
188: ok 44107
188: ok 44108
188: ok 44109
188: ok 44110
188: ok 44111
188: ok 44112
188: ok 44113
188: ok 44114
188: ok 44115
188: ok 44116
188: ok 44117
188: ok 44118
188: ok 44119
188: ok 44120
188: ok 44121
188: ok 44122
188: ok 44123
188: ok 44124
188: ok 44125
188: ok 44126
188: ok 44127
188: ok 44128
188: ok 44129
188: ok 44130
188: ok 44131
188: ok 44132
188: ok 44133
188: ok 44134
188: ok 44135
188: ok 44136
188: ok 44137
188: ok 44138
188: ok 44139
188: ok 44140
188: ok 44141
188: ok 44142
188: ok 44143
188: ok 44144
188: ok 44145
188: ok 44146
188: ok 44147
188: ok 44148
188: ok 44149
188: ok 44150
188: ok 44151
188: ok 44152
188: ok 44153
188: ok 44154
188: ok 44155
188: ok 44156
188: ok 44157
188: ok 44158
188: ok 44159
188: ok 44160
188: ok 44161
188: ok 44162
188: ok 44163
188: ok 44164
188: ok 44165
188: ok 44166
188: ok 44167
188: ok 44168
188: ok 44169
188: ok 44170
188: ok 44171
188: ok 44172
188: ok 44173
188: ok 44174
188: ok 44175
188: ok 44176
188: ok 44177
188: ok 44178
188: ok 44179
188: ok 44180
188: ok 44181
188: ok 44182
188: ok 44183
188: ok 44184
188: ok 44185
188: ok 44186
188: ok 44187
188: ok 44188
188: ok 44189
188: ok 44190
188: ok 44191
188: ok 44192
188: ok 44193
188: ok 44194
188: ok 44195
188: ok 44196
188: ok 44197
188: ok 44198
188: ok 44199
188: ok 44200
188: ok 44201
188: ok 44202
188: ok 44203
188: ok 44204
188: ok 44205
188: ok 44206
188: ok 44207
188: ok 44208
188: ok 44209
188: ok 44210
188: ok 44211
188: ok 44212
188: ok 44213
188: ok 44214
188: ok 44215
188: ok 44216
188: ok 44217
188: ok 44218
188: ok 44219
188: ok 44220
188: ok 44221
188: ok 44222
188: ok 44223
188: ok 44224
188: ok 44225
188: ok 44226
188: ok 44227
188: ok 44228
188: ok 44229
188: ok 44230
188: ok 44231
188: ok 44232
188: ok 44233
188: ok 44234
188: ok 44235
188: ok 44236
188: ok 44237
188: ok 44238
188: ok 44239
188: ok 44240
188: ok 44241
188: ok 44242
188: ok 44243
188: ok 44244
188: ok 44245
188: ok 44246
188: ok 44247
188: ok 44248
188: ok 44249
188: ok 44250
188: ok 44251
188: ok 44252
188: ok 44253
188: ok 44254
188: ok 44255
188: ok 44256
188: ok 44257
188: ok 44258
188: ok 44259
188: ok 44260
188: ok 44261
188: ok 44262
188: ok 44263
188: ok 44264
188: ok 44265
188: ok 44266
188: ok 44267
188: ok 44268
188: ok 44269
188: ok 44270
188: ok 44271
188: ok 44272
188: ok 44273
188: ok 44274
188: ok 44275
188: ok 44276
188: ok 44277
188: ok 44278
188: ok 44279
188: ok 44280
188: ok 44281
188: ok 44282
188: ok 44283
188: ok 44284
188: ok 44285
188: ok 44286
188: ok 44287
188: ok 44288
188: ok 44289
188: ok 44290
188: ok 44291
188: ok 44292
188: ok 44293
188: ok 44294
188: ok 44295
188: ok 44296
188: ok 44297
188: ok 44298
188: ok 44299
188: ok 44300
188: ok 44301
188: ok 44302
188: ok 44303
188: ok 44304
188: ok 44305
188: ok 44306
188: ok 44307
188: ok 44308
188: ok 44309
188: ok 44310
188: ok 44311
188: ok 44312
188: ok 44313
188: ok 44314
188: ok 44315
188: ok 44316
188: ok 44317
188: ok 44318
188: ok 44319
188: ok 44320
188: ok 44321
188: ok 44322
188: ok 44323
188: ok 44324
188: ok 44325
188: ok 44326
188: ok 44327
188: ok 44328
188: ok 44329
188: ok 44330
188: ok 44331
188: ok 44332
188: ok 44333
188: ok 44334
188: ok 44335
188: ok 44336
188: ok 44337
188: ok 44338
188: ok 44339
188: ok 44340
188: ok 44341
188: ok 44342
188: ok 44343
188: ok 44344
188: ok 44345
188: ok 44346
188: ok 44347
188: ok 44348
188: ok 44349
188: ok 44350
188: ok 44351
188: ok 44352
188: ok 44353
188: ok 44354
188: ok 44355
188: ok 44356
188: ok 44357
188: ok 44358
188: ok 44359
188: ok 44360
188: ok 44361
188: ok 44362
188: ok 44363
188: ok 44364
188: ok 44365
188: ok 44366
188: ok 44367
188: ok 44368
188: ok 44369
188: ok 44370
188: ok 44371
188: ok 44372
188: ok 44373
188: ok 44374
188: ok 44375
188: ok 44376
188: ok 44377
188: ok 44378
188: ok 44379
188: ok 44380
188: ok 44381
188: ok 44382
188: ok 44383
188: ok 44384
188: ok 44385
188: ok 44386
188: ok 44387
188: ok 44388
188: ok 44389
188: ok 44390
188: ok 44391
188: ok 44392
188: ok 44393
188: ok 44394
188: ok 44395
188: ok 44396
188: ok 44397
188: ok 44398
188: ok 44399
188: ok 44400
188: ok 44401
188: ok 44402
188: ok 44403
188: ok 44404
188: ok 44405
188: ok 44406
188: ok 44407
188: ok 44408
188: ok 44409
188: ok 44410
188: ok 44411
188: ok 44412
188: ok 44413
188: ok 44414
188: ok 44415
188: ok 44416
188: ok 44417
188: ok 44418
188: ok 44419
188: ok 44420
188: ok 44421
188: ok 44422
188: ok 44423
188: ok 44424
188: ok 44425
188: ok 44426
188: ok 44427
188: ok 44428
188: ok 44429
188: ok 44430
188: ok 44431
188: ok 44432
188: ok 44433
188: ok 44434
188: ok 44435
188: ok 44436
188: ok 44437
188: ok 44438
188: ok 44439
188: ok 44440
188: ok 44441
188: ok 44442
188: ok 44443
188: ok 44444
188: ok 44445
188: ok 44446
188: ok 44447
188: ok 44448
188: ok 44449
188: ok 44450
188: ok 44451
188: ok 44452
188: ok 44453
188: ok 44454
188: ok 44455
188: ok 44456
188: ok 44457
188: ok 44458
188: ok 44459
188: ok 44460
188: ok 44461
188: ok 44462
188: ok 44463
188: ok 44464
188: ok 44465
188: ok 44466
188: ok 44467
188: ok 44468
188: ok 44469
188: ok 44470
188: ok 44471
188: ok 44472
188: ok 44473
188: ok 44474
188: ok 44475
188: ok 44476
188: ok 44477
188: ok 44478
188: ok 44479
188: ok 44480
188: ok 44481
188: ok 44482
188: ok 44483
188: ok 44484
188: ok 44485
188: ok 44486
188: ok 44487
188: ok 44488
188: ok 44489
188: ok 44490
188: ok 44491
188: ok 44492
188: ok 44493
188: ok 44494
188: ok 44495
188: ok 44496
188: ok 44497
188: ok 44498
188: ok 44499
188: ok 44500
188: ok 44501
188: ok 44502
188: ok 44503
188: ok 44504
188: ok 44505
188: ok 44506
188: ok 44507
188: ok 44508
188: ok 44509
188: ok 44510
188: ok 44511
188: ok 44512
188: ok 44513
188: ok 44514
188: ok 44515
188: ok 44516
188: ok 44517
188: ok 44518
188: ok 44519
188: ok 44520
188: ok 44521
188: ok 44522
188: ok 44523
188: ok 44524
188: ok 44525
188: ok 44526
188: ok 44527
188: ok 44528
188: ok 44529
188: ok 44530
188: ok 44531
188: ok 44532
188: ok 44533
188: ok 44534
188: ok 44535
188: ok 44536
188: ok 44537
188: ok 44538
188: ok 44539
188: ok 44540
188: ok 44541
188: ok 44542
188: ok 44543
188: ok 44544
188: ok 44545
188: ok 44546
188: ok 44547
188: ok 44548
188: ok 44549
188: ok 44550
188: ok 44551
188: ok 44552
188: ok 44553
188: ok 44554
188: ok 44555
188: ok 44556
188: ok 44557
188: ok 44558
188: ok 44559
188: ok 44560
188: ok 44561
188: ok 44562
188: ok 44563
188: ok 44564
188: ok 44565
188: ok 44566
188: ok 44567
188: ok 44568
188: ok 44569
188: ok 44570
188: ok 44571
188: ok 44572
188: ok 44573
188: ok 44574
188: ok 44575
188: ok 44576
188: ok 44577
188: ok 44578
188: ok 44579
188: ok 44580
188: ok 44581
188: ok 44582
188: ok 44583
188: ok 44584
188: ok 44585
188: ok 44586
188: ok 44587
188: ok 44588
188: ok 44589
188: ok 44590
188: ok 44591
188: ok 44592
188: ok 44593
188: ok 44594
188: ok 44595
188: ok 44596
188: ok 44597
188: ok 44598
188: ok 44599
188: ok 44600
188: ok 44601
188: ok 44602
188: ok 44603
188: ok 44604
188: ok 44605
188: ok 44606
188: ok 44607
188: ok 44608
188: ok 44609
188: ok 44610
188: ok 44611
188: ok 44612
188: ok 44613
188: ok 44614
188: ok 44615
188: ok 44616
188: ok 44617
188: ok 44618
188: ok 44619
188: ok 44620
188: ok 44621
188: ok 44622
188: ok 44623
188: ok 44624
188: ok 44625
188: ok 44626
188: ok 44627
188: ok 44628
188: ok 44629
188: ok 44630
188: ok 44631
188: ok 44632
188: ok 44633
188: ok 44634
188: ok 44635
188: ok 44636
188: ok 44637
188: ok 44638
188: ok 44639
188: ok 44640
188: ok 44641
188: ok 44642
188: ok 44643
188: ok 44644
188: ok 44645
188: ok 44646
188: ok 44647
188: ok 44648
188: ok 44649
188: ok 44650
188: ok 44651
188: ok 44652
188: ok 44653
188: ok 44654
188: ok 44655
188: ok 44656
188: ok 44657
188: ok 44658
188: ok 44659
188: ok 44660
188: ok 44661
188: ok 44662
188: ok 44663
188: ok 44664
188: ok 44665
188: ok 44666
188: ok 44667
188: ok 44668
188: ok 44669
188: ok 44670
188: ok 44671
188: ok 44672
188: ok 44673
188: ok 44674
188: ok 44675
188: ok 44676
188: ok 44677
188: ok 44678
188: ok 44679
188: ok 44680
188: ok 44681
188: ok 44682
188: ok 44683
188: ok 44684
188: ok 44685
188: ok 44686
188: ok 44687
188: ok 44688
188: ok 44689
188: ok 44690
188: ok 44691
188: ok 44692
188: ok 44693
188: ok 44694
188: ok 44695
188: ok 44696
188: ok 44697
188: ok 44698
188: ok 44699
188: ok 44700
188: ok 44701
188: ok 44702
188: ok 44703
188: ok 44704
188: ok 44705
188: ok 44706
188: ok 44707
188: ok 44708
188: ok 44709
188: ok 44710
188: ok 44711
188: ok 44712
188: ok 44713
188: ok 44714
188: ok 44715
188: ok 44716
188: ok 44717
188: ok 44718
188: ok 44719
188: ok 44720
188: ok 44721
188: ok 44722
188: ok 44723
188: ok 44724
188: ok 44725
188: ok 44726
188: ok 44727
188: ok 44728
188: ok 44729
188: ok 44730
188: ok 44731
188: ok 44732
188: ok 44733
188: ok 44734
188: ok 44735
188: ok 44736
188: ok 44737
188: ok 44738
188: ok 44739
188: ok 44740
188: ok 44741
188: ok 44742
188: ok 44743
188: ok 44744
188: ok 44745
188: ok 44746
188: ok 44747
188: ok 44748
188: ok 44749
188: ok 44750
188: ok 44751
188: ok 44752
188: ok 44753
188: ok 44754
188: ok 44755
188: ok 44756
188: ok 44757
188: ok 44758
188: ok 44759
188: ok 44760
188: ok 44761
188: ok 44762
188: ok 44763
188: ok 44764
188: ok 44765
188: ok 44766
188: ok 44767
188: ok 44768
188: ok 44769
188: ok 44770
188: ok 44771
188: ok 44772
188: ok 44773
188: ok 44774
188: ok 44775
188: ok 44776
188: ok 44777
188: ok 44778
188: ok 44779
188: ok 44780
188: ok 44781
188: ok 44782
188: ok 44783
188: ok 44784
188: ok 44785
188: ok 44786
188: ok 44787
188: ok 44788
188: ok 44789
188: ok 44790
188: ok 44791
188: ok 44792
188: ok 44793
188: ok 44794
188: ok 44795
188: ok 44796
188: ok 44797
188: ok 44798
188: ok 44799
188: ok 44800
188: ok 44801
188: ok 44802
188: ok 44803
188: ok 44804
188: ok 44805
188: ok 44806
188: ok 44807
188: ok 44808
188: ok 44809
188: ok 44810
188: ok 44811
188: ok 44812
188: ok 44813
188: ok 44814
188: ok 44815
188: ok 44816
188: ok 44817
188: ok 44818
188: ok 44819
188: ok 44820
188: ok 44821
188: ok 44822
188: ok 44823
188: ok 44824
188: ok 44825
188: ok 44826
188: ok 44827
188: ok 44828
188: ok 44829
188: ok 44830
188: ok 44831
188: ok 44832
188: ok 44833
188: ok 44834
188: ok 44835
188: ok 44836
188: ok 44837
188: ok 44838
188: ok 44839
188: ok 44840
188: ok 44841
188: ok 44842
188: ok 44843
188: ok 44844
188: ok 44845
188: ok 44846
188: ok 44847
188: ok 44848
188: ok 44849
188: ok 44850
188: ok 44851
188: ok 44852
188: ok 44853
188: ok 44854
188: ok 44855
188: ok 44856
188: ok 44857
188: ok 44858
188: ok 44859
188: ok 44860
188: ok 44861
188: ok 44862
188: ok 44863
188: ok 44864
188: ok 44865
188: ok 44866
188: ok 44867
188: ok 44868
188: ok 44869
188: ok 44870
188: ok 44871
188: ok 44872
188: ok 44873
188: ok 44874
188: ok 44875
188: ok 44876
188: ok 44877
188: ok 44878
188: ok 44879
188: ok 44880
188: ok 44881
188: ok 44882
188: ok 44883
188: ok 44884
188: ok 44885
188: ok 44886
188: ok 44887
188: ok 44888
188: ok 44889
188: ok 44890
188: ok 44891
188: ok 44892
188: ok 44893
188: ok 44894
188: ok 44895
188: ok 44896
188: ok 44897
188: ok 44898
188: ok 44899
188: ok 44900
188: ok 44901
188: ok 44902
188: ok 44903
188: ok 44904
188: ok 44905
188: ok 44906
188: ok 44907
188: ok 44908
188: ok 44909
188: ok 44910
188: ok 44911
188: ok 44912
188: ok 44913
188: ok 44914
188: ok 44915
188: ok 44916
188: ok 44917
188: ok 44918
188: ok 44919
188: ok 44920
188: ok 44921
188: ok 44922
188: ok 44923
188: ok 44924
188: ok 44925
188: ok 44926
188: ok 44927
188: ok 44928
188: ok 44929
188: ok 44930
188: ok 44931
188: ok 44932
188: ok 44933
188: ok 44934
188: ok 44935
188: ok 44936
188: ok 44937
188: ok 44938
188: ok 44939
188: ok 44940
188: ok 44941
188: ok 44942
188: ok 44943
188: ok 44944
188: ok 44945
188: ok 44946
188: ok 44947
188: ok 44948
188: ok 44949
188: ok 44950
188: ok 44951
188: ok 44952
188: ok 44953
188: ok 44954
188: ok 44955
188: ok 44956
188: ok 44957
188: ok 44958
188: ok 44959
188: ok 44960
188: ok 44961
188: ok 44962
188: ok 44963
188: ok 44964
188: ok 44965
188: ok 44966
188: ok 44967
188: ok 44968
188: ok 44969
188: ok 44970
188: ok 44971
188: ok 44972
188: ok 44973
188: ok 44974
188: ok 44975
188: ok 44976
188: ok 44977
188: ok 44978
188: ok 44979
188: ok 44980
188: ok 44981
188: ok 44982
188: ok 44983
188: ok 44984
188: ok 44985
188: ok 44986
188: ok 44987
188: ok 44988
188: ok 44989
188: ok 44990
188: ok 44991
188: ok 44992
188: ok 44993
188: ok 44994
188: ok 44995
188: ok 44996
188: ok 44997
188: ok 44998
188: ok 44999
188: ok 45000
188: ok 45001
188: ok 45002
188: ok 45003
188: ok 45004
188: ok 45005
188: ok 45006
188: ok 45007
188: ok 45008
188: ok 45009
188: ok 45010
188: ok 45011
188: ok 45012
188: ok 45013
188: ok 45014
188: ok 45015
188: ok 45016
188: ok 45017
188: ok 45018
188: ok 45019
188: ok 45020
188: ok 45021
188: ok 45022
188: ok 45023
188: ok 45024
188: ok 45025
188: ok 45026
188: ok 45027
188: ok 45028
188: ok 45029
188: ok 45030
188: ok 45031
188: ok 45032
188: ok 45033
188: ok 45034
188: ok 45035
188: ok 45036
188: ok 45037
188: ok 45038
188: ok 45039
188: ok 45040
188: ok 45041
188: ok 45042
188: ok 45043
188: ok 45044
188: ok 45045
188: ok 45046
188: ok 45047
188: ok 45048
188: ok 45049
188: ok 45050
188: ok 45051
188: ok 45052
188: ok 45053
188: ok 45054
188: ok 45055
188: ok 45056
188: ok 45057
188: ok 45058
188: ok 45059
188: ok 45060
188: ok 45061
188: ok 45062
188: ok 45063
188: ok 45064
188: ok 45065
188: ok 45066
188: ok 45067
188: ok 45068
188: ok 45069
188: ok 45070
188: ok 45071
188: ok 45072
188: ok 45073
188: ok 45074
188: ok 45075
188: ok 45076
188: ok 45077
188: ok 45078
188: ok 45079
188: ok 45080
188: ok 45081
188: ok 45082
188: ok 45083
188: ok 45084
188: ok 45085
188: ok 45086
188: ok 45087
188: ok 45088
188: ok 45089
188: ok 45090
188: ok 45091
188: ok 45092
188: ok 45093
188: ok 45094
188: ok 45095
188: ok 45096
188: ok 45097
188: ok 45098
188: ok 45099
188: ok 45100
188: ok 45101
188: ok 45102
188: ok 45103
188: ok 45104
188: ok 45105
188: ok 45106
188: ok 45107
188: ok 45108
188: ok 45109
188: ok 45110
188: ok 45111
188: ok 45112
188: ok 45113
188: ok 45114
188: ok 45115
188: ok 45116
188: ok 45117
188: ok 45118
188: ok 45119
188: ok 45120
188: ok 45121
188: ok 45122
188: ok 45123
188: ok 45124
188: ok 45125
188: ok 45126
188: ok 45127
188: ok 45128
188: ok 45129
188: ok 45130
188: ok 45131
188: ok 45132
188: ok 45133
188: ok 45134
188: ok 45135
188: ok 45136
188: ok 45137
188: ok 45138
188: ok 45139
188: ok 45140
188: ok 45141
188: ok 45142
188: ok 45143
188: ok 45144
188: ok 45145
188: ok 45146
188: ok 45147
188: ok 45148
188: ok 45149
188: ok 45150
188: ok 45151
188: ok 45152
188: ok 45153
188: ok 45154
188: ok 45155
188: ok 45156
188: ok 45157
188: ok 45158
188: ok 45159
188: ok 45160
188: ok 45161
188: ok 45162
188: ok 45163
188: ok 45164
188: ok 45165
188: ok 45166
188: ok 45167
188: ok 45168
188: ok 45169
188: ok 45170
188: ok 45171
188: ok 45172
188: ok 45173
188: ok 45174
188: ok 45175
188: ok 45176
188: ok 45177
188: ok 45178
188: ok 45179
188: ok 45180
188: ok 45181
188: ok 45182
188: ok 45183
188: ok 45184
188: ok 45185
188: ok 45186
188: ok 45187
188: ok 45188
188: ok 45189
188: ok 45190
188: ok 45191
188: ok 45192
188: ok 45193
188: ok 45194
188: ok 45195
188: ok 45196
188: ok 45197
188: ok 45198
188: ok 45199
188: ok 45200
188: ok 45201
188: ok 45202
188: ok 45203
188: ok 45204
188: ok 45205
188: ok 45206
188: ok 45207
188: ok 45208
188: ok 45209
188: ok 45210
188: ok 45211
188: ok 45212
188: ok 45213
188: ok 45214
188: ok 45215
188: ok 45216
188: ok 45217
188: ok 45218
188: ok 45219
188: ok 45220
188: ok 45221
188: ok 45222
188: ok 45223
188: ok 45224
188: ok 45225
188: ok 45226
188: ok 45227
188: ok 45228
188: ok 45229
188: ok 45230
188: ok 45231
188: ok 45232
188: ok 45233
188: ok 45234
188: ok 45235
188: ok 45236
188: ok 45237
188: ok 45238
188: ok 45239
188: ok 45240
188: ok 45241
188: ok 45242
188: ok 45243
188: ok 45244
188: ok 45245
188: ok 45246
188: ok 45247
188: ok 45248
188: ok 45249
188: ok 45250
188: ok 45251
188: ok 45252
188: ok 45253
188: ok 45254
188: ok 45255
188: ok 45256
188: ok 45257
188: ok 45258
188: ok 45259
188: ok 45260
188: ok 45261
188: ok 45262
188: ok 45263
188: ok 45264
188: ok 45265
188: ok 45266
188: ok 45267
188: ok 45268
188: ok 45269
188: ok 45270
188: ok 45271
188: ok 45272
188: ok 45273
188: ok 45274
188: ok 45275
188: ok 45276
188: ok 45277
188: ok 45278
188: ok 45279
188: ok 45280
188: ok 45281
188: ok 45282
188: ok 45283
188: ok 45284
188: ok 45285
188: ok 45286
188: ok 45287
188: ok 45288
188: ok 45289
188: ok 45290
188: ok 45291
188: ok 45292
188: ok 45293
188: ok 45294
188: ok 45295
188: ok 45296
188: ok 45297
188: ok 45298
188: ok 45299
188: ok 45300
188: ok 45301
188: ok 45302
188: ok 45303
188: ok 45304
188: ok 45305
188: ok 45306
188: ok 45307
188: ok 45308
188: ok 45309
188: ok 45310
188: ok 45311
188: ok 45312
188: ok 45313
188: ok 45314
188: ok 45315
188: ok 45316
188: ok 45317
188: ok 45318
188: ok 45319
188: ok 45320
188: ok 45321
188: ok 45322
188: ok 45323
188: ok 45324
188: ok 45325
188: ok 45326
188: ok 45327
188: ok 45328
188: ok 45329
188: ok 45330
188: ok 45331
188: ok 45332
188: ok 45333
188: ok 45334
188: ok 45335
188: ok 45336
188: ok 45337
188: ok 45338
188: ok 45339
188: ok 45340
188: ok 45341
188: ok 45342
188: ok 45343
188: ok 45344
188: ok 45345
188: ok 45346
188: ok 45347
188: ok 45348
188: ok 45349
188: ok 45350
188: ok 45351
188: ok 45352
188: ok 45353
188: ok 45354
188: ok 45355
188: ok 45356
188: ok 45357
188: ok 45358
188: ok 45359
188: ok 45360
188: ok 45361
188: ok 45362
188: ok 45363
188: ok 45364
188: ok 45365
188: ok 45366
188: ok 45367
188: ok 45368
188: ok 45369
188: ok 45370
188: ok 45371
188: ok 45372
188: ok 45373
188: ok 45374
188: ok 45375
188: ok 45376
188: ok 45377
188: ok 45378
188: ok 45379
188: ok 45380
188: ok 45381
188: ok 45382
188: ok 45383
188: ok 45384
188: ok 45385
188: ok 45386
188: ok 45387
188: ok 45388
188: ok 45389
188: ok 45390
188: ok 45391
188: ok 45392
188: ok 45393
188: ok 45394
188: ok 45395
188: ok 45396
188: ok 45397
188: ok 45398
188: ok 45399
188: ok 45400
188: ok 45401
188: ok 45402
188: ok 45403
188: ok 45404
188: ok 45405
188: ok 45406
188: ok 45407
188: ok 45408
188: ok 45409
188: ok 45410
188: ok 45411
188: ok 45412
188: ok 45413
188: ok 45414
188: ok 45415
188: ok 45416
188: ok 45417
188: ok 45418
188: ok 45419
188: ok 45420
188: ok 45421
188: ok 45422
188: ok 45423
188: ok 45424
188: ok 45425
188: ok 45426
188: ok 45427
188: ok 45428
188: ok 45429
188: ok 45430
188: ok 45431
188: ok 45432
188: ok 45433
188: ok 45434
188: ok 45435
188: ok 45436
188: ok 45437
188: ok 45438
188: ok 45439
188: ok 45440
188: ok 45441
188: ok 45442
188: ok 45443
188: ok 45444
188: ok 45445
188: ok 45446
188: ok 45447
188: ok 45448
188: ok 45449
188: ok 45450
188: ok 45451
188: ok 45452
188: ok 45453
188: ok 45454
188: ok 45455
188: ok 45456
188: ok 45457
188: ok 45458
188: ok 45459
188: ok 45460
188: ok 45461
188: ok 45462
188: ok 45463
188: ok 45464
188: ok 45465
188: ok 45466
188: ok 45467
188: ok 45468
188: ok 45469
188: ok 45470
188: ok 45471
188: ok 45472
188: ok 45473
188: ok 45474
188: ok 45475
188: ok 45476
188: ok 45477
188: ok 45478
188: ok 45479
188: ok 45480
188: ok 45481
188: ok 45482
188: ok 45483
188: ok 45484
188: ok 45485
188: ok 45486
188: ok 45487
188: ok 45488
188: ok 45489
188: ok 45490
188: ok 45491
188: ok 45492
188: ok 45493
188: ok 45494
188: ok 45495
188: ok 45496
188: ok 45497
188: ok 45498
188: ok 45499
188: ok 45500
188: ok 45501
188: ok 45502
188: ok 45503
188: ok 45504
188: ok 45505
188: ok 45506
188: ok 45507
188: ok 45508
188: ok 45509
188: ok 45510
188: ok 45511
188: ok 45512
188: ok 45513
188: ok 45514
188: ok 45515
188: ok 45516
188: ok 45517
188: ok 45518
188: ok 45519
188: ok 45520
188: ok 45521
188: ok 45522
188: ok 45523
188: ok 45524
188: ok 45525
188: ok 45526
188: ok 45527
188: ok 45528
188: ok 45529
188: ok 45530
188: ok 45531
188: ok 45532
188: ok 45533
188: ok 45534
188: ok 45535
188: ok 45536
188: ok 45537
188: ok 45538
188: ok 45539
188: ok 45540
188: ok 45541
188: ok 45542
188: ok 45543
188: ok 45544
188: ok 45545
188: ok 45546
188: ok 45547
188: ok 45548
188: ok 45549
188: ok 45550
188: ok 45551
188: ok 45552
188: ok 45553
188: ok 45554
188: ok 45555
188: ok 45556
188: ok 45557
188: ok 45558
188: ok 45559
188: ok 45560
188: ok 45561
188: ok 45562
188: ok 45563
188: ok 45564
188: ok 45565
188: ok 45566
188: ok 45567
188: ok 45568
188: ok 45569
188: ok 45570
188: ok 45571
188: ok 45572
188: ok 45573
188: ok 45574
188: ok 45575
188: ok 45576
188: ok 45577
188: ok 45578
188: ok 45579
188: ok 45580
188: ok 45581
188: ok 45582
188: ok 45583
188: ok 45584
188: ok 45585
188: ok 45586
188: ok 45587
188: ok 45588
188: ok 45589
188: ok 45590
188: ok 45591
188: ok 45592
188: ok 45593
188: ok 45594
188: ok 45595
188: ok 45596
188: ok 45597
188: ok 45598
188: ok 45599
188: ok 45600
188: ok 45601
188: ok 45602
188: ok 45603
188: ok 45604
188: ok 45605
188: ok 45606
188: ok 45607
188: ok 45608
188: ok 45609
188: ok 45610
188: ok 45611
188: ok 45612
188: ok 45613
188: ok 45614
188: ok 45615
188: ok 45616
188: ok 45617
188: ok 45618
188: ok 45619
188: ok 45620
188: ok 45621
188: ok 45622
188: ok 45623
188: ok 45624
188: ok 45625
188: ok 45626
188: ok 45627
188: ok 45628
188: ok 45629
188: ok 45630
188: ok 45631
188: ok 45632
188: ok 45633
188: ok 45634
188: ok 45635
188: ok 45636
188: ok 45637
188: ok 45638
188: ok 45639
188: ok 45640
188: ok 45641
188: ok 45642
188: ok 45643
188: ok 45644
188: ok 45645
188: ok 45646
188: ok 45647
188: ok 45648
188: ok 45649
188: ok 45650
188: ok 45651
188: ok 45652
188: ok 45653
188: ok 45654
188: ok 45655
188: ok 45656
188: ok 45657
188: ok 45658
188: ok 45659
188: ok 45660
188: ok 45661
188: ok 45662
188: ok 45663
188: ok 45664
188: ok 45665
188: ok 45666
188: ok 45667
188: ok 45668
188: ok 45669
188: ok 45670
188: ok 45671
188: ok 45672
188: ok 45673
188: ok 45674
188: ok 45675
188: ok 45676
188: ok 45677
188: ok 45678
188: ok 45679
188: ok 45680
188: ok 45681
188: ok 45682
188: ok 45683
188: ok 45684
188: ok 45685
188: ok 45686
188: ok 45687
188: ok 45688
188: ok 45689
188: ok 45690
188: ok 45691
188: ok 45692
188: ok 45693
188: ok 45694
188: ok 45695
188: ok 45696
188: ok 45697
188: ok 45698
188: ok 45699
188: ok 45700
188: ok 45701
188: ok 45702
188: ok 45703
188: ok 45704
188: ok 45705
188: ok 45706
188: ok 45707
188: ok 45708
188: ok 45709
188: ok 45710
188: ok 45711
188: ok 45712
188: ok 45713
188: ok 45714
188: ok 45715
188: ok 45716
188: ok 45717
188: ok 45718
188: ok 45719
188: ok 45720
188: ok 45721
188: ok 45722
188: ok 45723
188: ok 45724
188: ok 45725
188: ok 45726
188: ok 45727
188: ok 45728
188: ok 45729
188: ok 45730
188: ok 45731
188: ok 45732
188: ok 45733
188: ok 45734
188: ok 45735
188: ok 45736
188: ok 45737
188: ok 45738
188: ok 45739
188: ok 45740
188: ok 45741
188: ok 45742
188: ok 45743
188: ok 45744
188: ok 45745
188: ok 45746
188: ok 45747
188: ok 45748
188: ok 45749
188: ok 45750
188: ok 45751
188: ok 45752
188: ok 45753
188: ok 45754
188: ok 45755
188: ok 45756
188: ok 45757
188: ok 45758
188: ok 45759
188: ok 45760
188: ok 45761
188: ok 45762
188: ok 45763
188: ok 45764
188: ok 45765
188: ok 45766
188: ok 45767
188: ok 45768
188: ok 45769
188: ok 45770
188: ok 45771
188: ok 45772
188: ok 45773
188: ok 45774
188: ok 45775
188: ok 45776
188: ok 45777
188: ok 45778
188: ok 45779
188: ok 45780
188: ok 45781
188: ok 45782
188: ok 45783
188: ok 45784
188: ok 45785
188: ok 45786
188: ok 45787
188: ok 45788
188: ok 45789
188: ok 45790
188: ok 45791
188: ok 45792
188: ok 45793
188: ok 45794
188: ok 45795
188: ok 45796
188: ok 45797
188: ok 45798
188: ok 45799
188: ok 45800
188: ok 45801
188: ok 45802
188: ok 45803
188: ok 45804
188: ok 45805
188: ok 45806
188: ok 45807
188: ok 45808
188: ok 45809
188: ok 45810
188: ok 45811
188: ok 45812
188: ok 45813
188: ok 45814
188: ok 45815
188: ok 45816
188: ok 45817
188: ok 45818
188: ok 45819
188: ok 45820
188: ok 45821
188: ok 45822
188: ok 45823
188: ok 45824
188: ok 45825
188: ok 45826
188: ok 45827
188: ok 45828
188: ok 45829
188: ok 45830
188: ok 45831
188: ok 45832
188: ok 45833
188: ok 45834
188: ok 45835
188: ok 45836
188: ok 45837
188: ok 45838
188: ok 45839
188: ok 45840
188: ok 45841
188: ok 45842
188: ok 45843
188: ok 45844
188: ok 45845
188: ok 45846
188: ok 45847
188: ok 45848
188: ok 45849
188: ok 45850
188: ok 45851
188: ok 45852
188: ok 45853
188: ok 45854
188: ok 45855
188: ok 45856
188: ok 45857
188: ok 45858
188: ok 45859
188: ok 45860
188: ok 45861
188: ok 45862
188: ok 45863
188: ok 45864
188: ok 45865
188: ok 45866
188: ok 45867
188: ok 45868
188: ok 45869
188: ok 45870
188: ok 45871
188: ok 45872
188: ok 45873
188: ok 45874
188: ok 45875
188: ok 45876
188: ok 45877
188: ok 45878
188: ok 45879
188: ok 45880
188: ok 45881
188: ok 45882
188: ok 45883
188: ok 45884
188: ok 45885
188: ok 45886
188: ok 45887
188: ok 45888
188: ok 45889
188: ok 45890
188: ok 45891
188: ok 45892
188: ok 45893
188: ok 45894
188: ok 45895
188: ok 45896
188: ok 45897
188: ok 45898
188: ok 45899
188: ok 45900
188: ok 45901
188: ok 45902
188: ok 45903
188: ok 45904
188: ok 45905
188: ok 45906
188: ok 45907
188: ok 45908
188: ok 45909
188: ok 45910
188: ok 45911
188: ok 45912
188: ok 45913
188: ok 45914
188: ok 45915
188: ok 45916
188: ok 45917
188: ok 45918
188: ok 45919
188: ok 45920
188: ok 45921
188: ok 45922
188: ok 45923
188: ok 45924
188: ok 45925
188: ok 45926
188: ok 45927
188: ok 45928
188: ok 45929
188: ok 45930
188: ok 45931
188: ok 45932
188: ok 45933
188: ok 45934
188: ok 45935
188: ok 45936
188: ok 45937
188: ok 45938
188: ok 45939
188: ok 45940
188: ok 45941
188: ok 45942
188: ok 45943
188: ok 45944
188: ok 45945
188: ok 45946
188: ok 45947
188: ok 45948
188: ok 45949
188: ok 45950
188: ok 45951
188: ok 45952
188: ok 45953
188: ok 45954
188: ok 45955
188: ok 45956
188: ok 45957
188: ok 45958
188: ok 45959
188: ok 45960
188: ok 45961
188: ok 45962
188: ok 45963
188: ok 45964
188: ok 45965
188: ok 45966
188: ok 45967
188: ok 45968
188: ok 45969
188: ok 45970
188: ok 45971
188: ok 45972
188: ok 45973
188: ok 45974
188: ok 45975
188: ok 45976
188: ok 45977
188: ok 45978
188: ok 45979
188: ok 45980
188: ok 45981
188: ok 45982
188: ok 45983
188: ok 45984
188: ok 45985
188: ok 45986
188: ok 45987
188: ok 45988
188: ok 45989
188: ok 45990
188: ok 45991
188: ok 45992
188: ok 45993
188: ok 45994
188: ok 45995
188: ok 45996
188: ok 45997
188: ok 45998
188: ok 45999
188: ok 46000
188: # math: passed testBasics_matrix3x3
188: 1..46000
188: # math: all tests are successful
189: ok 14911
189: ok 14912
189: ok 14913
189: ok 14914
189: ok 14915
189: ok 14916
189: ok 14917
189: ok 14918
189: ok 14919
189: ok 14920
189: ok 14921
189: ok 14922
189: ok 14923
189: ok 14924
189: ok 14925
189: ok 14926
189: ok 14927
189: ok 14928
189: ok 14929
189: ok 14930
189: ok 14931
189: ok 14932
189: ok 14933
189: ok 14934
189: ok 14935
189: ok 14936
189: ok 14937
189: ok 14938
189: ok 14939
189: ok 14940
189: ok 14941
189: ok 14942
189: ok 14943
189: ok 14944
189: ok 14945
189: ok 14946
189: ok 14947
189: ok 14948
189: ok 14949
189: ok 14950
189: ok 14951
189: ok 14952
189: ok 14953
189: ok 14954
189: ok 14955
189: ok 14956
189: ok 14957
189: ok 14958
189: ok 14959
189: ok 14960
189: ok 14961
189: ok 14962
189: ok 14963
189: ok 14964
189: ok 14965
189: ok 14966
189: ok 14967
189: ok 14968
189: ok 14969
189: ok 14970
189: ok 14971
189: ok 14972
189: ok 14973
189: ok 14974
189: ok 14975
189: ok 14976
189: ok 14977
189: ok 14978
189: ok 14979
189: ok 14980
189: ok 14981
189: ok 14982
189: ok 14983
189: ok 14984
189: ok 14985
189: ok 14986
189: ok 14987
189: ok 14988
189: ok 14989
189: ok 14990
189: ok 14991
189: ok 14992
189: ok 14993
189: ok 14994
189: ok 14995
189: ok 14996
189: ok 14997
189: ok 14998
189: ok 14999
189: ok 15000
189: ok 15001
189: ok 15002
189: ok 15003
189: ok 15004
189: ok 15005
189: ok 15006
189: ok 15007
189: ok 15008
189: ok 15009
189: ok 15010
189: ok 15011
189: ok 15012
189: ok 15013
189: ok 15014
189: ok 15015
189: ok 15016
189: ok 15017
189: ok 15018
189: ok 15019
189: ok 15020
189: ok 15021
189: ok 15022
189: ok 15023
189: ok 15024
189: ok 15025
189: ok 15026
189: ok 15027
189: ok 15028
189: ok 15029
189: ok 15030
189: ok 15031
189: ok 15032
189: ok 15033
189: ok 15034
189: ok 15035
189: ok 15036
189: ok 15037
189: ok 15038
189: ok 15039
189: ok 15040
189: ok 15041
189: ok 15042
189: ok 15043
189: ok 15044
189: ok 15045
189: ok 15046
189: ok 15047
189: ok 15048
189: ok 15049
189: ok 15050
189: ok 15051
189: ok 15052
189: ok 15053
189: ok 15054
189: ok 15055
189: ok 15056
189: ok 15057
189: ok 15058
189: ok 15059
189: ok 15060
189: ok 15061
189: ok 15062
189: ok 15063
189: ok 15064
189: ok 15065
189: ok 15066
189: ok 15067
189: ok 15068
189: ok 15069
189: ok 15070
189: ok 15071
189: ok 15072
189: ok 15073
189: ok 15074
189: ok 15075
189: ok 15076
189: ok 15077
189: ok 15078
189: ok 15079
189: ok 15080
189: ok 15081
189: ok 15082
189: ok 15083
189: ok 15084
189: ok 15085
189: ok 15086
189: ok 15087
189: ok 15088
189: ok 15089
189: ok 15090
189: ok 15091
189: ok 15092
189: ok 15093
189: ok 15094
189: ok 15095
189: ok 15096
189: ok 15097
189: ok 15098
189: ok 15099
189: ok 15100
189: ok 15101
189: ok 15102
189: ok 15103
189: ok 15104
189: ok 15105
189: ok 15106
189: ok 15107
189: ok 15108
189: ok 15109
189: ok 15110
189: ok 15111
189: ok 15112
189: ok 15113
189: ok 15114
189: ok 15115
189: ok 15116
189: ok 15117
189: ok 15118
189: ok 15119
189: ok 15120
189: ok 15121
189: ok 15122
189: ok 15123
189: ok 15124
189: ok 15125
189: ok 15126
189: ok 15127
189: ok 15128
189: ok 15129
189: ok 15130
189: ok 15131
189: ok 15132
189: ok 15133
189: ok 15134
189: ok 15135
189: ok 15136
189: ok 15137
189: ok 15138
189: ok 15139
189: ok 15140
189: ok 15141
189: ok 15142
189: ok 15143
189: ok 15144
189: ok 15145
189: ok 15146
189: ok 15147
189: ok 15148
189: ok 15149
189: ok 15150
189: ok 15151
189: ok 15152
189: ok 15153
189: ok 15154
189: ok 15155
189: ok 15156
189: ok 15157
189: ok 15158
189: ok 15159
189: ok 15160
189: ok 15161
189: ok 15162
189: ok 15163
189: ok 15164
189: ok 15165
189: ok 15166
189: ok 15167
189: ok 15168
189: ok 15169
189: ok 15170
189: ok 15171
189: ok 15172
189: ok 15173
189: ok 15174
189: ok 15175
189: ok 15176
189: ok 15177
189: ok 15178
189: ok 15179
189: ok 15180
189: ok 15181
189: ok 15182
189: ok 15183
189: ok 15184
189: ok 15185
189: ok 15186
189: ok 15187
189: ok 15188
189: ok 15189
189: ok 15190
189: ok 15191
189: ok 15192
189: ok 15193
189: ok 15194
189: ok 15195
189: ok 15196
189: ok 15197
189: ok 15198
189: ok 15199
189: ok 15200
189: ok 15201
189: ok 15202
189: ok 15203
189: ok 15204
189: ok 15205
189: ok 15206
189: ok 15207
189: ok 15208
189: ok 15209
189: ok 15210
189: ok 15211
189: ok 15212
189: ok 15213
189: ok 15214
189: ok 15215
189: ok 15216
189: ok 15217
189: ok 15218
189: ok 15219
189: ok 15220
189: ok 15221
189: ok 15222
189: ok 15223
189: ok 15224
189: ok 15225
189: ok 15226
189: ok 15227
189: ok 15228
189: ok 15229
189: ok 15230
189: ok 15231
189: ok 15232
189: ok 15233
189: ok 15234
189: ok 15235
189: ok 15236
189: ok 15237
189: ok 15238
189: ok 15239
189: ok 15240
189: ok 15241
189: ok 15242
189: ok 15243
189: ok 15244
189: ok 15245
189: ok 15246
189: ok 15247
189: ok 15248
189: ok 15249
189: ok 15250
189: ok 15251
189: ok 15252
189: ok 15253
189: ok 15254
189: ok 15255
189: ok 15256
189: ok 15257
189: ok 15258
189: ok 15259
189: ok 15260
189: ok 15261
189: ok 15262
189: ok 15263
189: ok 15264
189: ok 15265
189: ok 15266
189: ok 15267
189: ok 15268
189: ok 15269
189: ok 15270
189: ok 15271
189: ok 15272
189: ok 15273
189: ok 15274
189: ok 15275
189: ok 15276
189: ok 15277
189: ok 15278
189: ok 15279
189: ok 15280
189: ok 15281
189: ok 15282
189: ok 15283
189: ok 15284
189: ok 15285
189: ok 15286
189: ok 15287
189: ok 15288
189: ok 15289
189: ok 15290
189: ok 15291
189: ok 15292
189: ok 15293
189: ok 15294
189: ok 15295
189: ok 15296
189: ok 15297
189: ok 15298
189: ok 15299
189: ok 15300
189: ok 15301
189: ok 15302
189: ok 15303
189: ok 15304
189: ok 15305
189: ok 15306
189: ok 15307
189: ok 15308
189: ok 15309
189: ok 15310
189: ok 15311
189: ok 15312
189: ok 15313
189: ok 15314
189: ok 15315
189: ok 15316
189: ok 15317
189: ok 15318
189: ok 15319
189: ok 15320
189: ok 15321
189: ok 15322
189: ok 15323
189: ok 15324
189: ok 15325
189: ok 15326
189: ok 15327
189: ok 15328
189: ok 15329
189: ok 15330
189: ok 15331
189: ok 15332
189: ok 15333
189: ok 15334
189: ok 15335
189: ok 15336
189: ok 15337
189: ok 15338
189: ok 15339
189: ok 15340
189: ok 15341
189: ok 15342
189: ok 15343
189: ok 15344
189: ok 15345
189: ok 15346
189: ok 15347
189: ok 15348
189: ok 15349
189: ok 15350
189: ok 15351
189: ok 15352
189: ok 15353
189: ok 15354
189: ok 15355
189: ok 15356
189: ok 15357
189: ok 15358
189: ok 15359
189: ok 15360
189: ok 15361
189: ok 15362
189: ok 15363
189: ok 15364
189: ok 15365
189: ok 15366
189: ok 15367
189: ok 15368
189: ok 15369
189: ok 15370
189: ok 15371
189: ok 15372
189: ok 15373
189: ok 15374
189: ok 15375
189: ok 15376
189: ok 15377
189: ok 15378
189: ok 15379
189: ok 15380
189: ok 15381
189: ok 15382
189: ok 15383
189: ok 15384
189: ok 15385
189: ok 15386
189: ok 15387
189: ok 15388
189: ok 15389
189: ok 15390
189: ok 15391
189: ok 15392
189: ok 15393
189: ok 15394
189: ok 15395
189: ok 15396
189: ok 15397
189: ok 15398
189: ok 15399
189: ok 15400
189: ok 15401
189: ok 15402
189: ok 15403
189: ok 15404
189: ok 15405
189: ok 15406
189: ok 15407
189: ok 15408
189: ok 15409
189: ok 15410
189: ok 15411
189: ok 15412
189: ok 15413
189: ok 15414
189: ok 15415
189: ok 15416
189: ok 15417
189: ok 15418
189: ok 15419
189: ok 15420
189: ok 15421
189: ok 15422
189: ok 15423
189: ok 15424
189: ok 15425
189: ok 15426
189: ok 15427
189: ok 15428
189: ok 15429
189: ok 15430
189: ok 15431
189: ok 15432
189: ok 15433
189: ok 15434
189: ok 15435
189: ok 15436
189: ok 15437
189: ok 15438
189: ok 15439
189: ok 15440
189: ok 15441
189: ok 15442
189: ok 15443
189: ok 15444
189: ok 15445
189: ok 15446
189: ok 15447
189: ok 15448
189: ok 15449
189: ok 15450
189: ok 15451
189: ok 15452
189: ok 15453
189: ok 15454
189: ok 15455
189: ok 15456
189: ok 15457
189: ok 15458
189: ok 15459
189: ok 15460
189: ok 15461
189: ok 15462
189: ok 15463
189: ok 15464
189: ok 15465
189: ok 15466
189: ok 15467
189: ok 15468
189: ok 15469
189: ok 15470
189: ok 15471
189: ok 15472
189: ok 15473
189: ok 15474
189: ok 15475
189: ok 15476
189: ok 15477
189: ok 15478
189: ok 15479
189: ok 15480
189: ok 15481
189: ok 15482
189: ok 15483
189: ok 15484
189: ok 15485
189: ok 15486
189: ok 15487
189: ok 15488
189: ok 15489
189: ok 15490
189: ok 15491
189: ok 15492
189: ok 15493
189: ok 15494
189: ok 15495
189: ok 15496
189: ok 15497
189: ok 15498
189: ok 15499
189: ok 15500
189: ok 15501
189: ok 15502
189: ok 15503
189: ok 15504
189: ok 15505
189: ok 15506
189: ok 15507
189: ok 15508
189: ok 15509
189: ok 15510
189: ok 15511
189: ok 15512
189: ok 15513
189: ok 15514
189: ok 15515
189: ok 15516
189: ok 15517
189: ok 15518
189: ok 15519
189: ok 15520
189: ok 15521
189: ok 15522
189: ok 15523
189: ok 15524
189: ok 15525
189: ok 15526
189: ok 15527
189: ok 15528
189: ok 15529
189: ok 15530
189: ok 15531
189: ok 15532
189: ok 15533
189: ok 15534
189: ok 15535
189: ok 15536
189: ok 15537
189: ok 15538
189: ok 15539
189: ok 15540
189: ok 15541
189: ok 15542
189: ok 15543
189: ok 15544
189: ok 15545
189: ok 15546
189: ok 15547
189: ok 15548
189: ok 15549
189: ok 15550
189: ok 15551
189: ok 15552
189: ok 15553
189: ok 15554
189: ok 15555
189: ok 15556
189: ok 15557
189: ok 15558
189: ok 15559
189: ok 15560
189: ok 15561
189: ok 15562
189: ok 15563
189: ok 15564
189: ok 15565
189: ok 15566
189: ok 15567
189: ok 15568
189: ok 15569
189: ok 15570
189: ok 15571
189: ok 15572
189: ok 15573
189: ok 15574
189: ok 15575
189: ok 15576
189: ok 15577
189: ok 15578
189: ok 15579
189: ok 15580
189: ok 15581
189: ok 15582
189: ok 15583
189: ok 15584
189: ok 15585
189: ok 15586
189: ok 15587
189: ok 15588
189: ok 15589
189: ok 15590
189: ok 15591
189: ok 15592
189: ok 15593
189: ok 15594
189: ok 15595
189: ok 15596
189: ok 15597
189: ok 15598
189: ok 15599
189: ok 15600
189: ok 15601
189: ok 15602
189: ok 15603
189: ok 15604
189: ok 15605
189: ok 15606
189: ok 15607
189: ok 15608
189: ok 15609
189: ok 15610
189: ok 15611
189: ok 15612
189: ok 15613
189: ok 15614
189: ok 15615
189: ok 15616
189: ok 15617
189: ok 15618
189: ok 15619
189: ok 15620
189: ok 15621
189: ok 15622
189: ok 15623
189: ok 15624
189: ok 15625
189: ok 15626
189: ok 15627
189: ok 15628
189: ok 15629
189: ok 15630
189: ok 15631
189: ok 15632
189: ok 15633
189: ok 15634
189: ok 15635
189: ok 15636
189: ok 15637
189: ok 15638
189: ok 15639
189: ok 15640
189: ok 15641
189: ok 15642
189: ok 15643
189: ok 15644
189: ok 15645
189: ok 15646
189: ok 15647
189: ok 15648
189: ok 15649
189: ok 15650
189: ok 15651
189: ok 15652
189: ok 15653
189: ok 15654
189: ok 15655
189: ok 15656
189: ok 15657
189: ok 15658
189: ok 15659
189: ok 15660
189: ok 15661
189: ok 15662
189: ok 15663
189: ok 15664
189: ok 15665
189: ok 15666
189: ok 15667
189: ok 15668
189: ok 15669
189: ok 15670
189: ok 15671
189: ok 15672
189: ok 15673
189: ok 15674
189: ok 15675
189: ok 15676
189: ok 15677
189: ok 15678
189: ok 15679
189: ok 15680
189: ok 15681
189: ok 15682
189: ok 15683
189: ok 15684
189: ok 15685
189: ok 15686
189: ok 15687
189: ok 15688
189: ok 15689
189: ok 15690
189: ok 15691
189: ok 15692
189: ok 15693
189: ok 15694
189: ok 15695
189: ok 15696
189: ok 15697
189: ok 15698
189: ok 15699
189: ok 15700
189: ok 15701
189: ok 15702
189: ok 15703
189: ok 15704
189: ok 15705
189: ok 15706
189: ok 15707
189: ok 15708
189: ok 15709
189: ok 15710
189: ok 15711
189: ok 15712
189: ok 15713
189: ok 15714
189: ok 15715
189: ok 15716
189: ok 15717
189: ok 15718
189: ok 15719
189: ok 15720
189: ok 15721
189: ok 15722
189: ok 15723
189: ok 15724
189: ok 15725
189: ok 15726
189: ok 15727
189: ok 15728
189: ok 15729
189: ok 15730
189: ok 15731
189: ok 15732
189: ok 15733
189: ok 15734
189: ok 15735
189: ok 15736
189: ok 15737
189: ok 15738
189: ok 15739
189: ok 15740
189: ok 15741
189: ok 15742
189: ok 15743
189: ok 15744
189: ok 15745
189: ok 15746
189: ok 15747
189: ok 15748
189: ok 15749
189: ok 15750
189: ok 15751
189: ok 15752
189: ok 15753
189: ok 15754
189: ok 15755
189: ok 15756
189: ok 15757
189: ok 15758
189: ok 15759
189: ok 15760
189: ok 15761
189: ok 15762
189: ok 15763
189: ok 15764
189: ok 15765
189: ok 15766
189: ok 15767
189: ok 15768
189: ok 15769
189: ok 15770
189: ok 15771
189: ok 15772
189: ok 15773
189: ok 15774
189: ok 15775
189: ok 15776
189: ok 15777
189: ok 15778
189: ok 15779
189: ok 15780
189: ok 15781
189: ok 15782
189: ok 15783
189: ok 15784
189: ok 15785
189: ok 15786
189: ok 15787
189: ok 15788
189: ok 15789
189: ok 15790
189: ok 15791
189: ok 15792
189: ok 15793
189: ok 15794
189: ok 15795
189: ok 15796
189: ok 15797
189: ok 15798
189: ok 15799
189: ok 15800
189: ok 15801
189: ok 15802
189: ok 15803
189: ok 15804
189: ok 15805
189: ok 15806
189: ok 15807
189: ok 15808
189: ok 15809
189: ok 15810
189: ok 15811
189: ok 15812
189: ok 15813
189: ok 15814
189: ok 15815
189: ok 15816
189: ok 15817
189: ok 15818
189: ok 15819
189: ok 15820
189: ok 15821
189: ok 15822
189: ok 15823
189: ok 15824
189: ok 15825
189: ok 15826
189: ok 15827
189: ok 15828
189: ok 15829
189: ok 15830
189: ok 15831
189: ok 15832
189: ok 15833
189: ok 15834
189: ok 15835
189: ok 15836
189: ok 15837
189: ok 15838
189: ok 15839
189: ok 15840
189: ok 15841
189: ok 15842
189: ok 15843
189: ok 15844
189: ok 15845
189: ok 15846
189: ok 15847
189: ok 15848
189: ok 15849
189: ok 15850
189: ok 15851
189: ok 15852
189: ok 15853
189: ok 15854
189: ok 15855
189: ok 15856
189: ok 15857
189: ok 15858
189: ok 15859
189: ok 15860
189: ok 15861
189: ok 15862
189: ok 15863
189: ok 15864
189: ok 15865
189: ok 15866
189: ok 15867
189: ok 15868
189: ok 15869
189: ok 15870
189: ok 15871
189: ok 15872
189: ok 15873
189: ok 15874
189: ok 15875
189: ok 15876
189: ok 15877
189: ok 15878
189: ok 15879
189: ok 15880
189: ok 15881
189: ok 15882
189: ok 15883
189: ok 15884
189: ok 15885
189: ok 15886
189: ok 15887
189: ok 15888
189: ok 15889
189: ok 15890
189: ok 15891
189: ok 15892
189: ok 15893
189: ok 15894
189: ok 15895
189: ok 15896
189: ok 15897
189: ok 15898
189: ok 15899
189: ok 15900
189: ok 15901
189: ok 15902
189: ok 15903
189: ok 15904
189: ok 15905
189: ok 15906
189: ok 15907
189: ok 15908
189: ok 15909
189: ok 15910
189: ok 15911
189: ok 15912
189: ok 15913
189: ok 15914
189: ok 15915
189: ok 15916
189: ok 15917
189: ok 15918
189: ok 15919
189: ok 15920
189: ok 15921
189: ok 15922
189: ok 15923
189: ok 15924
189: ok 15925
189: ok 15926
189: ok 15927
189: ok 15928
189: ok 15929
189: ok 15930
189: ok 15931
189: ok 15932
189: ok 15933
189: ok 15934
189: ok 15935
189: ok 15936
189: ok 15937
189: ok 15938
189: ok 15939
189: ok 15940
189: ok 15941
189: ok 15942
189: ok 15943
189: ok 15944
189: ok 15945
189: ok 15946
189: ok 15947
189: ok 15948
189: ok 15949
189: ok 15950
189: ok 15951
189: ok 15952
189: ok 15953
189: ok 15954
189: ok 15955
189: ok 15956
189: ok 15957
189: ok 15958
189: ok 15959
189: ok 15960
189: ok 15961
189: ok 15962
189: ok 15963
189: ok 15964
189: ok 15965
189: ok 15966
189: ok 15967
189: ok 15968
189: ok 15969
189: ok 15970
189: ok 15971
189: ok 15972
189: ok 15973
189: ok 15974
189: ok 15975
189: ok 15976
189: ok 15977
189: ok 15978
189: ok 15979
189: ok 15980
189: ok 15981
189: ok 15982
189: ok 15983
189: ok 15984
189: ok 15985
189: ok 15986
189: ok 15987
189: ok 15988
189: ok 15989
189: ok 15990
189: ok 15991
189: ok 15992
189: ok 15993
189: ok 15994
189: ok 15995
189: ok 15996
189: ok 15997
189: ok 15998
189: ok 15999
189: ok 16000
189: ok 16001
189: ok 16002
189: ok 16003
189: ok 16004
189: ok 16005
189: ok 16006
189: ok 16007
189: ok 16008
189: ok 16009
189: ok 16010
189: ok 16011
189: ok 16012
189: ok 16013
189: ok 16014
189: ok 16015
189: ok 16016
189: ok 16017
189: ok 16018
189: ok 16019
189: ok 16020
189: ok 16021
189: ok 16022
189: ok 16023
189: ok 16024
189: ok 16025
189: ok 16026
189: ok 16027
189: ok 16028
189: ok 16029
189: ok 16030
189: ok 16031
189: ok 16032
189: ok 16033
189: ok 16034
189: ok 16035
189: ok 16036
189: ok 16037
189: ok 16038
189: ok 16039
189: ok 16040
189: ok 16041
189: ok 16042
189: ok 16043
189: ok 16044
189: ok 16045
189: ok 16046
189: ok 16047
189: ok 16048
189: ok 16049
189: ok 16050
189: ok 16051
189: ok 16052
189: ok 16053
189: ok 16054
189: ok 16055
189: ok 16056
189: ok 16057
189: ok 16058
189: ok 16059
189: ok 16060
189: ok 16061
189: ok 16062
189: ok 16063
189: ok 16064
189: ok 16065
189: ok 16066
189: ok 16067
189: ok 16068
189: ok 16069
189: ok 16070
189: ok 16071
189: ok 16072
189: ok 16073
189: ok 16074
189: ok 16075
189: ok 16076
189: ok 16077
189: ok 16078
189: ok 16079
189: ok 16080
189: ok 16081
189: ok 16082
189: ok 16083
189: ok 16084
189: ok 16085
189: ok 16086
189: ok 16087
189: ok 16088
189: ok 16089
189: ok 16090
189: ok 16091
189: ok 16092
189: ok 16093
189: ok 16094
189: ok 16095
189: ok 16096
189: ok 16097
189: ok 16098
189: ok 16099
189: ok 16100
189: ok 16101
189: ok 16102
189: ok 16103
189: ok 16104
189: ok 16105
189: ok 16106
189: ok 16107
189: ok 16108
189: ok 16109
189: ok 16110
189: ok 16111
189: ok 16112
189: ok 16113
189: ok 16114
189: ok 16115
189: ok 16116
189: ok 16117
189: ok 16118
189: ok 16119
189: ok 16120
189: ok 16121
189: ok 16122
189: ok 16123
189: ok 16124
189: ok 16125
189: ok 16126
189: ok 16127
189: ok 16128
189: ok 16129
189: ok 16130
189: ok 16131
189: ok 16132
189: ok 16133
189: ok 16134
189: ok 16135
189: ok 16136
189: ok 16137
189: ok 16138
189: ok 16139
189: ok 16140
189: ok 16141
189: ok 16142
189: ok 16143
189: ok 16144
189: ok 16145
189: ok 16146
189: ok 16147
189: ok 16148
189: ok 16149
189: ok 16150
189: ok 16151
189: ok 16152
189: ok 16153
189: ok 16154
189: ok 16155
189: ok 16156
189: ok 16157
189: ok 16158
189: ok 16159
189: ok 16160
189: ok 16161
189: ok 16162
189: ok 16163
189: ok 16164
189: ok 16165
189: ok 16166
189: ok 16167
189: ok 16168
189: ok 16169
189: ok 16170
189: ok 16171
189: ok 16172
189: ok 16173
189: ok 16174
189: ok 16175
189: ok 16176
189: ok 16177
189: ok 16178
189: ok 16179
189: ok 16180
189: ok 16181
189: ok 16182
189: ok 16183
189: ok 16184
189: ok 16185
189: ok 16186
189: ok 16187
189: ok 16188
189: ok 16189
189: ok 16190
189: ok 16191
189: ok 16192
189: ok 16193
189: ok 16194
189: ok 16195
189: ok 16196
189: ok 16197
189: ok 16198
189: ok 16199
189: ok 16200
189: ok 16201
189: ok 16202
189: ok 16203
189: ok 16204
189: ok 16205
189: ok 16206
189: ok 16207
189: ok 16208
189: ok 16209
189: ok 16210
189: ok 16211
189: ok 16212
189: ok 16213
189: ok 16214
189: ok 16215
189: ok 16216
189: ok 16217
189: ok 16218
189: ok 16219
189: ok 16220
189: ok 16221
189: ok 16222
189: ok 16223
189: ok 16224
189: ok 16225
189: ok 16226
189: ok 16227
189: ok 16228
189: ok 16229
189: ok 16230
189: ok 16231
189: ok 16232
189: ok 16233
189: ok 16234
189: ok 16235
189: ok 16236
189: ok 16237
189: ok 16238
189: ok 16239
189: ok 16240
189: ok 16241
189: ok 16242
189: ok 16243
189: ok 16244
189: ok 16245
189: ok 16246
189: ok 16247
189: ok 16248
189: ok 16249
189: ok 16250
189: ok 16251
189: ok 16252
189: ok 16253
189: ok 16254
189: ok 16255
189: ok 16256
189: ok 16257
189: ok 16258
189: ok 16259
189: ok 16260
189: ok 16261
189: ok 16262
189: ok 16263
189: ok 16264
189: ok 16265
189: ok 16266
189: ok 16267
189: ok 16268
189: ok 16269
189: ok 16270
189: ok 16271
189: ok 16272
189: ok 16273
189: ok 16274
189: ok 16275
189: ok 16276
189: ok 16277
189: ok 16278
189: ok 16279
189: ok 16280
189: ok 16281
189: ok 16282
189: ok 16283
189: ok 16284
189: ok 16285
189: ok 16286
189: ok 16287
189: ok 16288
189: ok 16289
189: ok 16290
189: ok 16291
189: ok 16292
189: ok 16293
189: ok 16294
189: ok 16295
189: ok 16296
189: ok 16297
189: ok 16298
189: ok 16299
189: ok 16300
189: ok 16301
189: ok 16302
189: ok 16303
189: ok 16304
189: ok 16305
189: ok 16306
189: ok 16307
189: ok 16308
189: ok 16309
189: ok 16310
189: ok 16311
189: ok 16312
189: ok 16313
189: ok 16314
189: ok 16315
189: ok 16316
189: ok 16317
189: ok 16318
189: ok 16319
189: ok 16320
189: ok 16321
189: ok 16322
189: ok 16323
189: ok 16324
189: ok 16325
189: ok 16326
189: ok 16327
189: ok 16328
189: ok 16329
189: ok 16330
189: ok 16331
189: ok 16332
189: ok 16333
189: ok 16334
189: ok 16335
189: ok 16336
189: ok 16337
189: ok 16338
189: ok 16339
189: ok 16340
189: ok 16341
189: ok 16342
189: ok 16343
189: ok 16344
189: ok 16345
189: ok 16346
189: ok 16347
189: ok 16348
189: ok 16349
189: ok 16350
189: ok 16351
189: ok 16352
189: ok 16353
189: ok 16354
189: ok 16355
189: ok 16356
189: ok 16357
189: ok 16358
189: ok 16359
189: ok 16360
189: ok 16361
189: ok 16362
189: ok 16363
189: ok 16364
189: ok 16365
189: ok 16366
189: ok 16367
189: ok 16368
189: ok 16369
189: ok 16370
189: ok 16371
189: ok 16372
189: ok 16373
189: ok 16374
189: ok 16375
189: ok 16376
189: ok 16377
189: ok 16378
189: ok 16379
189: ok 16380
189: ok 16381
189: ok 16382
189: ok 16383
189: ok 16384
189: ok 16385
189: ok 16386
189: ok 16387
189: ok 16388
189: ok 16389
189: ok 16390
189: ok 16391
189: ok 16392
189: ok 16393
189: ok 16394
189: ok 16395
189: ok 16396
189: ok 16397
189: ok 16398
189: ok 16399
189: ok 16400
189: ok 16401
189: ok 16402
189: ok 16403
189: ok 16404
189: ok 16405
189: ok 16406
189: ok 16407
189: ok 16408
189: ok 16409
189: ok 16410
189: ok 16411
189: ok 16412
189: ok 16413
189: ok 16414
189: ok 16415
189: ok 16416
189: ok 16417
189: ok 16418
189: ok 16419
189: ok 16420
189: ok 16421
189: ok 16422
189: ok 16423
189: ok 16424
189: ok 16425
189: ok 16426
189: ok 16427
189: ok 16428
189: ok 16429
189: ok 16430
189: ok 16431
189: ok 16432
189: ok 16433
189: ok 16434
189: ok 16435
189: ok 16436
189: ok 16437
189: ok 16438
189: ok 16439
189: ok 16440
189: ok 16441
189: ok 16442
189: ok 16443
189: ok 16444
189: ok 16445
189: ok 16446
189: ok 16447
189: ok 16448
189: ok 16449
189: ok 16450
189: ok 16451
189: ok 16452
189: ok 16453
189: ok 16454
189: ok 16455
189: ok 16456
189: ok 16457
189: ok 16458
189: ok 16459
189: ok 16460
189: ok 16461
189: ok 16462
189: ok 16463
189: ok 16464
189: ok 16465
189: ok 16466
189: ok 16467
189: ok 16468
189: ok 16469
189: ok 16470
189: ok 16471
189: ok 16472
189: ok 16473
189: ok 16474
189: ok 16475
189: ok 16476
189: ok 16477
189: ok 16478
189: ok 16479
189: ok 16480
189: ok 16481
189: ok 16482
189: ok 16483
189: ok 16484
189: ok 16485
189: ok 16486
189: ok 16487
189: ok 16488
189: ok 16489
189: ok 16490
189: ok 16491
189: ok 16492
189: ok 16493
189: ok 16494
189: ok 16495
189: ok 16496
189: ok 16497
189: ok 16498
189: ok 16499
189: ok 16500
189: ok 16501
189: ok 16502
189: ok 16503
189: ok 16504
189: ok 16505
189: ok 16506
189: ok 16507
189: ok 16508
189: ok 16509
189: ok 16510
189: ok 16511
189: ok 16512
189: ok 16513
189: ok 16514
189: ok 16515
189: ok 16516
189: ok 16517
189: ok 16518
189: ok 16519
189: ok 16520
189: ok 16521
189: ok 16522
189: ok 16523
189: ok 16524
189: ok 16525
189: ok 16526
189: ok 16527
189: ok 16528
189: ok 16529
189: ok 16530
189: ok 16531
189: ok 16532
189: ok 16533
189: ok 16534
189: ok 16535
189: ok 16536
189: ok 16537
189: ok 16538
189: ok 16539
189: ok 16540
189: ok 16541
189: ok 16542
189: ok 16543
189: ok 16544
189: ok 16545
189: ok 16546
189: ok 16547
189: ok 16548
189: ok 16549
189: ok 16550
189: ok 16551
189: ok 16552
189: ok 16553
189: ok 16554
189: ok 16555
189: ok 16556
189: ok 16557
189: ok 16558
189: ok 16559
189: ok 16560
189: ok 16561
189: ok 16562
189: ok 16563
189: ok 16564
189: ok 16565
189: ok 16566
189: ok 16567
189: ok 16568
189: ok 16569
189: ok 16570
189: ok 16571
189: ok 16572
189: ok 16573
189: ok 16574
189: ok 16575
189: ok 16576
189: ok 16577
189: ok 16578
189: ok 16579
189: ok 16580
189: ok 16581
189: ok 16582
189: ok 16583
189: ok 16584
189: ok 16585
189: ok 16586
189: ok 16587
189: ok 16588
189: ok 16589
189: ok 16590
189: ok 16591
189: ok 16592
189: ok 16593
189: ok 16594
189: ok 16595
189: ok 16596
189: ok 16597
189: ok 16598
189: ok 16599
189: ok 16600
189: ok 16601
189: ok 16602
189: ok 16603
189: ok 16604
189: ok 16605
189: ok 16606
189: ok 16607
189: ok 16608
189: ok 16609
189: ok 16610
189: ok 16611
189: ok 16612
189: ok 16613
189: ok 16614
189: ok 16615
189: ok 16616
189: ok 16617
189: ok 16618
189: ok 16619
189: ok 16620
189: ok 16621
189: ok 16622
189: ok 16623
189: ok 16624
189: ok 16625
189: ok 16626
189: ok 16627
189: ok 16628
189: ok 16629
189: ok 16630
189: ok 16631
189: ok 16632
189: ok 16633
189: ok 16634
189: ok 16635
189: ok 16636
189: ok 16637
189: ok 16638
189: ok 16639
189: ok 16640
189: ok 16641
189: ok 16642
189: ok 16643
189: ok 16644
189: ok 16645
189: ok 16646
189: ok 16647
189: ok 16648
189: ok 16649
189: ok 16650
189: ok 16651
189: ok 16652
189: ok 16653
189: ok 16654
189: ok 16655
189: ok 16656
189: ok 16657
189: ok 16658
189: ok 16659
189: ok 16660
189: ok 16661
189: ok 16662
189: ok 16663
189: ok 16664
189: ok 16665
189: ok 16666
189: ok 16667
189: ok 16668
189: ok 16669
189: ok 16670
189: ok 16671
189: ok 16672
189: ok 16673
189: ok 16674
189: ok 16675
189: ok 16676
189: ok 16677
189: ok 16678
189: ok 16679
189: ok 16680
189: ok 16681
189: ok 16682
189: ok 16683
189: ok 16684
189: ok 16685
189: ok 16686
189: ok 16687
189: ok 16688
189: ok 16689
189: ok 16690
189: ok 16691
189: ok 16692
189: ok 16693
189: ok 16694
189: ok 16695
189: ok 16696
189: ok 16697
189: ok 16698
189: ok 16699
189: ok 16700
189: ok 16701
189: ok 16702
189: ok 16703
189: ok 16704
189: ok 16705
189: ok 16706
189: ok 16707
189: ok 16708
189: ok 16709
189: ok 16710
189: ok 16711
189: ok 16712
189: ok 16713
189: ok 16714
189: ok 16715
189: ok 16716
189: ok 16717
189: ok 16718
189: ok 16719
189: ok 16720
189: ok 16721
189: ok 16722
189: ok 16723
189: ok 16724
189: ok 16725
189: ok 16726
189: ok 16727
189: ok 16728
189: ok 16729
189: ok 16730
189: ok 16731
189: ok 16732
189: ok 16733
189: ok 16734
189: ok 16735
189: ok 16736
189: ok 16737
189: ok 16738
189: ok 16739
189: ok 16740
189: ok 16741
189: ok 16742
189: ok 16743
189: ok 16744
189: ok 16745
189: ok 16746
189: ok 16747
189: ok 16748
189: ok 16749
189: ok 16750
189: ok 16751
189: ok 16752
189: ok 16753
189: ok 16754
189: ok 16755
189: ok 16756
189: ok 16757
189: ok 16758
189: ok 16759
189: ok 16760
189: ok 16761
189: ok 16762
189: ok 16763
189: ok 16764
189: ok 16765
189: ok 16766
189: ok 16767
189: ok 16768
189: ok 16769
189: ok 16770
189: ok 16771
189: ok 16772
189: ok 16773
189: ok 16774
189: ok 16775
189: ok 16776
189: ok 16777
189: ok 16778
189: ok 16779
189: ok 16780
189: ok 16781
189: ok 16782
189: ok 16783
189: ok 16784
189: ok 16785
189: ok 16786
189: ok 16787
189: ok 16788
189: ok 16789
189: ok 16790
189: ok 16791
189: ok 16792
189: ok 16793
189: ok 16794
189: ok 16795
189: ok 16796
189: ok 16797
189: ok 16798
189: ok 16799
189: ok 16800
189: ok 16801
189: ok 16802
189: ok 16803
189: ok 16804
189: ok 16805
189: ok 16806
189: ok 16807
189: ok 16808
189: ok 16809
189: ok 16810
189: ok 16811
189: ok 16812
189: ok 16813
189: ok 16814
189: ok 16815
189: ok 16816
189: ok 16817
189: ok 16818
189: ok 16819
189: ok 16820
189: ok 16821
189: ok 16822
189: ok 16823
189: ok 16824
189: ok 16825
189: ok 16826
189: ok 16827
189: ok 16828
189: ok 16829
189: ok 16830
189: ok 16831
189: ok 16832
189: ok 16833
189: ok 16834
189: ok 16835
189: ok 16836
189: ok 16837
189: ok 16838
189: ok 16839
189: ok 16840
189: ok 16841
189: ok 16842
189: ok 16843
189: ok 16844
189: ok 16845
189: ok 16846
189: ok 16847
189: ok 16848
189: ok 16849
189: ok 16850
189: ok 16851
189: ok 16852
189: ok 16853
189: ok 16854
189: ok 16855
189: ok 16856
189: ok 16857
189: ok 16858
189: ok 16859
189: ok 16860
189: ok 16861
189: ok 16862
189: ok 16863
189: ok 16864
189: ok 16865
189: ok 16866
189: ok 16867
189: ok 16868
189: ok 16869
189: ok 16870
189: ok 16871
189: ok 16872
189: ok 16873
189: ok 16874
189: ok 16875
189: ok 16876
189: ok 16877
189: ok 16878
189: ok 16879
189: ok 16880
189: ok 16881
189: ok 16882
189: ok 16883
189: ok 16884
189: ok 16885
189: ok 16886
189: ok 16887
189: ok 16888
189: ok 16889
189: ok 16890
189: ok 16891
189: ok 16892
189: ok 16893
189: ok 16894
189: ok 16895
189: ok 16896
189: ok 16897
189: ok 16898
189: ok 16899
189: ok 16900
189: ok 16901
189: ok 16902
189: ok 16903
189: ok 16904
189: ok 16905
189: ok 16906
189: ok 16907
189: ok 16908
189: ok 16909
189: ok 16910
189: ok 16911
189: ok 16912
189: ok 16913
189: ok 16914
189: ok 16915
189: ok 16916
189: ok 16917
189: ok 16918
189: ok 16919
189: ok 16920
189: ok 16921
189: ok 16922
189: ok 16923
189: ok 16924
189: ok 16925
189: ok 16926
189: ok 16927
189: ok 16928
189: ok 16929
189: ok 16930
189: ok 16931
189: ok 16932
189: ok 16933
189: ok 16934
189: ok 16935
189: ok 16936
189: ok 16937
189: ok 16938
189: ok 16939
189: ok 16940
189: ok 16941
189: ok 16942
189: ok 16943
189: ok 16944
189: ok 16945
189: ok 16946
189: ok 16947
189: ok 16948
189: ok 16949
189: ok 16950
189: ok 16951
189: ok 16952
189: ok 16953
189: ok 16954
189: ok 16955
189: ok 16956
189: ok 16957
189: ok 16958
189: ok 16959
189: ok 16960
189: ok 16961
189: ok 16962
189: ok 16963
189: ok 16964
189: ok 16965
189: ok 16966
189: ok 16967
189: ok 16968
189: ok 16969
189: ok 16970
189: ok 16971
189: ok 16972
189: ok 16973
189: ok 16974
189: ok 16975
189: ok 16976
189: ok 16977
189: ok 16978
189: ok 16979
189: ok 16980
189: ok 16981
189: ok 16982
189: ok 16983
189: ok 16984
189: ok 16985
189: ok 16986
189: ok 16987
189: ok 16988
189: ok 16989
189: ok 16990
189: ok 16991
189: ok 16992
189: ok 16993
189: ok 16994
189: ok 16995
189: ok 16996
189: ok 16997
189: ok 16998
189: ok 16999
189: ok 17000
189: ok 17001
189: ok 17002
189: ok 17003
189: ok 17004
189: ok 17005
189: ok 17006
189: ok 17007
189: ok 17008
189: ok 17009
189: ok 17010
189: ok 17011
189: ok 17012
189: ok 17013
189: ok 17014
189: ok 17015
189: ok 17016
189: ok 17017
189: ok 17018
189: ok 17019
189: ok 17020
189: ok 17021
189: ok 17022
189: ok 17023
189: ok 17024
189: ok 17025
189: ok 17026
189: ok 17027
189: ok 17028
189: ok 17029
189: ok 17030
189: ok 17031
189: ok 17032
189: ok 17033
189: ok 17034
189: ok 17035
189: ok 17036
189: ok 17037
189: ok 17038
189: ok 17039
189: ok 17040
189: ok 17041
189: ok 17042
189: ok 17043
189: ok 17044
189: ok 17045
189: ok 17046
189: ok 17047
189: ok 17048
189: ok 17049
189: ok 17050
189: ok 17051
189: ok 17052
189: ok 17053
189: ok 17054
189: ok 17055
189: ok 17056
189: ok 17057
189: ok 17058
189: ok 17059
189: ok 17060
189: ok 17061
189: ok 17062
189: ok 17063
189: ok 17064
189: ok 17065
189: ok 17066
189: ok 17067
189: ok 17068
189: ok 17069
189: ok 17070
189: ok 17071
189: ok 17072
189: ok 17073
189: ok 17074
189: ok 17075
189: ok 17076
189: ok 17077
189: ok 17078
189: ok 17079
189: ok 17080
189: ok 17081
189: ok 17082
189: ok 17083
189: ok 17084
189: ok 17085
189: ok 17086
189: ok 17087
189: ok 17088
189: ok 17089
189: ok 17090
189: ok 17091
189: ok 17092
189: ok 17093
189: ok 17094
189: ok 17095
189: ok 17096
189: ok 17097
189: ok 17098
189: ok 17099
189: ok 17100
189: ok 17101
189: ok 17102
189: ok 17103
189: ok 17104
189: ok 17105
189: ok 17106
189: ok 17107
189: ok 17108
189: ok 17109
189: ok 17110
189: ok 17111
189: ok 17112
189: ok 17113
189: ok 17114
189: ok 17115
189: ok 17116
189: ok 17117
189: ok 17118
189: ok 17119
189: ok 17120
189: ok 17121
189: ok 17122
189: ok 17123
189: ok 17124
189: ok 17125
189: ok 17126
189: ok 17127
189: ok 17128
189: ok 17129
189: ok 17130
189: ok 17131
189: ok 17132
189: ok 17133
189: ok 17134
189: ok 17135
189: ok 17136
189: ok 17137
189: ok 17138
189: ok 17139
189: ok 17140
189: ok 17141
189: ok 17142
189: ok 17143
189: ok 17144
189: ok 17145
189: ok 17146
189: ok 17147
189: ok 17148
189: ok 17149
189: ok 17150
189: ok 17151
189: ok 17152
189: ok 17153
189: ok 17154
189: ok 17155
189: ok 17156
189: ok 17157
189: ok 17158
189: ok 17159
189: ok 17160
189: ok 17161
189: ok 17162
189: ok 17163
189: ok 17164
189: ok 17165
189: ok 17166
189: ok 17167
189: ok 17168
189: ok 17169
189: ok 17170
189: ok 17171
189: ok 17172
189: ok 17173
189: ok 17174
189: ok 17175
189: ok 17176
189: ok 17177
189: ok 17178
189: ok 17179
189: ok 17180
189: ok 17181
189: ok 17182
189: ok 17183
189: ok 17184
189: ok 17185
189: ok 17186
189: ok 17187
189: ok 17188
189: ok 17189
189: ok 17190
189: ok 17191
189: ok 17192
189: ok 17193
189: ok 17194
189: ok 17195
189: ok 17196
189: ok 17197
189: ok 17198
189: ok 17199
189: ok 17200
189: ok 17201
189: ok 17202
189: ok 17203
189: ok 17204
189: ok 17205
189: ok 17206
189: ok 17207
189: ok 17208
189: ok 17209
189: ok 17210
189: ok 17211
189: ok 17212
189: ok 17213
189: ok 17214
189: ok 17215
189: ok 17216
189: ok 17217
189: ok 17218
189: ok 17219
189: ok 17220
189: ok 17221
189: ok 17222
189: ok 17223
189: ok 17224
189: ok 17225
189: ok 17226
189: ok 17227
189: ok 17228
189: ok 17229
189: ok 17230
189: ok 17231
189: ok 17232
189: ok 17233
189: ok 17234
189: ok 17235
189: ok 17236
189: ok 17237
189: ok 17238
189: ok 17239
189: ok 17240
189: ok 17241
189: ok 17242
189: ok 17243
189: ok 17244
189: ok 17245
189: ok 17246
189: ok 17247
189: ok 17248
189: ok 17249
189: ok 17250
189: ok 17251
189: ok 17252
189: ok 17253
189: ok 17254
189: ok 17255
189: ok 17256
189: ok 17257
189: ok 17258
189: ok 17259
189: ok 17260
189: ok 17261
189: ok 17262
189: ok 17263
189: ok 17264
189: ok 17265
189: ok 17266
189: ok 17267
189: ok 17268
189: ok 17269
189: ok 17270
189: ok 17271
189: ok 17272
189: ok 17273
189: ok 17274
189: ok 17275
189: ok 17276
189: ok 17277
189: ok 17278
189: ok 17279
189: ok 17280
189: ok 17281
189: ok 17282
189: ok 17283
189: ok 17284
189: ok 17285
189: ok 17286
189: ok 17287
189: ok 17288
189: ok 17289
189: ok 17290
189: ok 17291
189: ok 17292
189: ok 17293
189: ok 17294
189: ok 17295
189: ok 17296
189: ok 17297
189: ok 17298
189: ok 17299
189: ok 17300
189: ok 17301
189: ok 17302
189: ok 17303
189: ok 17304
189: ok 17305
189: ok 17306
189: ok 17307
189: ok 17308
189: ok 17309
189: ok 17310
189: ok 17311
189: ok 17312
189: ok 17313
189: ok 17314
189: ok 17315
189: ok 17316
189: ok 17317
189: ok 17318
189: ok 17319
189: ok 17320
189: ok 17321
189: ok 17322
189: ok 17323
189: ok 17324
189: ok 17325
189: ok 17326
189: ok 17327
189: ok 17328
189: ok 17329
189: ok 17330
189: ok 17331
189: ok 17332
189: ok 17333
189: ok 17334
189: ok 17335
189: ok 17336
189: ok 17337
189: ok 17338
189: ok 17339
189: ok 17340
189: ok 17341
189: ok 17342
189: ok 17343
189: ok 17344
189: ok 17345
189: ok 17346
189: ok 17347
189: ok 17348
189: ok 17349
189: ok 17350
189: ok 17351
189: ok 17352
189: ok 17353
189: ok 17354
189: ok 17355
189: ok 17356
189: ok 17357
189: ok 17358
189: ok 17359
189: ok 17360
189: ok 17361
189: ok 17362
189: ok 17363
189: ok 17364
189: ok 17365
189: ok 17366
189: ok 17367
189: ok 17368
189: ok 17369
189: ok 17370
189: ok 17371
189: ok 17372
189: ok 17373
189: ok 17374
189: ok 17375
189: ok 17376
189: ok 17377
189: ok 17378
189: ok 17379
189: ok 17380
189: ok 17381
189: ok 17382
189: ok 17383
189: ok 17384
189: ok 17385
189: ok 17386
189: ok 17387
189: ok 17388
189: ok 17389
189: ok 17390
189: ok 17391
189: ok 17392
189: ok 17393
189: ok 17394
189: ok 17395
189: ok 17396
189: ok 17397
189: ok 17398
189: ok 17399
189: ok 17400
189: ok 17401
189: ok 17402
189: ok 17403
189: ok 17404
189: ok 17405
189: ok 17406
189: ok 17407
189: ok 17408
189: ok 17409
189: ok 17410
189: ok 17411
189: ok 17412
189: ok 17413
189: ok 17414
189: ok 17415
189: ok 17416
189: ok 17417
189: ok 17418
189: ok 17419
189: ok 17420
189: ok 17421
189: ok 17422
189: ok 17423
189: ok 17424
189: ok 17425
189: ok 17426
189: ok 17427
189: ok 17428
189: ok 17429
189: ok 17430
189: ok 17431
189: ok 17432
189: ok 17433
189: ok 17434
189: ok 17435
189: ok 17436
189: ok 17437
189: ok 17438
189: ok 17439
189: ok 17440
189: ok 17441
189: ok 17442
189: ok 17443
189: ok 17444
189: ok 17445
189: ok 17446
189: ok 17447
189: ok 17448
189: ok 17449
189: ok 17450
189: ok 17451
189: ok 17452
189: ok 17453
189: ok 17454
189: ok 17455
189: ok 17456
189: ok 17457
189: ok 17458
189: ok 17459
189: ok 17460
189: ok 17461
189: ok 17462
189: ok 17463
189: ok 17464
189: ok 17465
189: ok 17466
189: ok 17467
189: ok 17468
189: ok 17469
189: ok 17470
189: ok 17471
189: ok 17472
189: ok 17473
189: ok 17474
189: ok 17475
189: ok 17476
189: ok 17477
189: ok 17478
189: ok 17479
189: ok 17480
189: ok 17481
189: ok 17482
189: ok 17483
189: ok 17484
189: ok 17485
189: ok 17486
189: ok 17487
189: ok 17488
189: ok 17489
189: ok 17490
189: ok 17491
189: ok 17492
189: ok 17493
189: ok 17494
189: ok 17495
189: ok 17496
189: ok 17497
189: ok 17498
189: ok 17499
189: ok 17500
189: ok 17501
189: ok 17502
189: ok 17503
189: ok 17504
189: ok 17505
189: ok 17506
189: ok 17507
189: ok 17508
189: ok 17509
189: ok 17510
189: ok 17511
189: ok 17512
189: ok 17513
189: ok 17514
189: ok 17515
189: ok 17516
189: ok 17517
189: ok 17518
189: ok 17519
189: ok 17520
189: ok 17521
189: ok 17522
189: ok 17523
189: ok 17524
189: ok 17525
189: ok 17526
189: ok 17527
189: ok 17528
189: ok 17529
189: ok 17530
189: ok 17531
189: ok 17532
189: ok 17533
189: ok 17534
189: ok 17535
189: ok 17536
189: ok 17537
189: ok 17538
189: ok 17539
189: ok 17540
189: ok 17541
189: ok 17542
189: ok 17543
189: ok 17544
189: ok 17545
189: ok 17546
189: ok 17547
189: ok 17548
189: ok 17549
189: ok 17550
189: ok 17551
189: ok 17552
189: ok 17553
189: ok 17554
189: ok 17555
189: ok 17556
189: ok 17557
189: ok 17558
189: ok 17559
189: ok 17560
189: ok 17561
189: ok 17562
189: ok 17563
189: ok 17564
189: ok 17565
189: ok 17566
189: ok 17567
189: ok 17568
189: ok 17569
189: ok 17570
189: ok 17571
189: ok 17572
189: ok 17573
189: ok 17574
189: ok 17575
189: ok 17576
189: ok 17577
189: ok 17578
189: ok 17579
189: ok 17580
189: ok 17581
189: ok 17582
189: ok 17583
189: ok 17584
189: ok 17585
189: ok 17586
189: ok 17587
189: ok 17588
189: ok 17589
189: ok 17590
189: ok 17591
189: ok 17592
189: ok 17593
189: ok 17594
189: ok 17595
189: ok 17596
189: ok 17597
189: ok 17598
189: ok 17599
189: ok 17600
189: ok 17601
189: ok 17602
189: ok 17603
189: ok 17604
189: ok 17605
189: ok 17606
189: ok 17607
189: ok 17608
189: ok 17609
189: ok 17610
189: ok 17611
189: ok 17612
189: ok 17613
189: ok 17614
189: ok 17615
189: ok 17616
189: ok 17617
189: ok 17618
189: ok 17619
189: ok 17620
189: ok 17621
189: ok 17622
189: ok 17623
189: ok 17624
189: ok 17625
189: ok 17626
189: ok 17627
189: ok 17628
189: ok 17629
189: ok 17630
189: ok 17631
189: ok 17632
189: ok 17633
189: ok 17634
189: ok 17635
189: ok 17636
189: ok 17637
189: ok 17638
189: ok 17639
189: ok 17640
189: ok 17641
189: ok 17642
189: ok 17643
189: ok 17644
189: ok 17645
189: ok 17646
189: ok 17647
189: ok 17648
189: ok 17649
189: ok 17650
189: ok 17651
189: ok 17652
189: ok 17653
189: ok 17654
189: ok 17655
189: ok 17656
189: ok 17657
189: ok 17658
189: ok 17659
189: ok 17660
189: ok 17661
189: ok 17662
189: ok 17663
189: ok 17664
189: ok 17665
189: ok 17666
189: ok 17667
189: ok 17668
189: ok 17669
189: ok 17670
189: ok 17671
189: ok 17672
189: ok 17673
189: ok 17674
189: ok 17675
189: ok 17676
189: ok 17677
189: ok 17678
189: ok 17679
189: ok 17680
189: ok 17681
189: ok 17682
189: ok 17683
189: ok 17684
189: ok 17685
189: ok 17686
189: ok 17687
189: ok 17688
189: ok 17689
189: ok 17690
189: ok 17691
189: ok 17692
189: ok 17693
189: ok 17694
189: ok 17695
189: ok 17696
189: ok 17697
189: ok 17698
189: ok 17699
189: ok 17700
189: ok 17701
189: ok 17702
189: ok 17703
189: ok 17704
189: ok 17705
189: ok 17706
189: ok 17707
189: ok 17708
189: ok 17709
189: ok 17710
189: ok 17711
189: ok 17712
189: ok 17713
189: ok 17714
189: ok 17715
189: ok 17716
189: ok 17717
189: ok 17718
189: ok 17719
189: ok 17720
189: ok 17721
189: ok 17722
189: ok 17723
189: ok 17724
189: ok 17725
189: ok 17726
189: ok 17727
189: ok 17728
189: ok 17729
189: ok 17730
189: ok 17731
189: ok 17732
189: ok 17733
189: ok 17734
189: ok 17735
189: ok 17736
189: ok 17737
189: ok 17738
189: ok 17739
189: ok 17740
189: ok 17741
189: ok 17742
189: ok 17743
189: ok 17744
189: ok 17745
189: ok 17746
189: ok 17747
189: ok 17748
189: ok 17749
189: ok 17750
189: ok 17751
189: ok 17752
189: ok 17753
189: ok 17754
189: ok 17755
189: ok 17756
189: ok 17757
189: ok 17758
189: ok 17759
189: ok 17760
189: ok 17761
189: ok 17762
189: ok 17763
189: ok 17764
189: ok 17765
189: ok 17766
189: ok 17767
189: ok 17768
189: ok 17769
189: ok 17770
189: ok 17771
189: ok 17772
189: ok 17773
189: ok 17774
189: ok 17775
189: ok 17776
189: ok 17777
189: ok 17778
189: ok 17779
189: ok 17780
189: ok 17781
189: ok 17782
189: ok 17783
189: ok 17784
189: ok 17785
189: ok 17786
189: ok 17787
189: ok 17788
189: ok 17789
189: ok 17790
189: ok 17791
189: ok 17792
189: ok 17793
189: ok 17794
189: ok 17795
189: ok 17796
189: ok 17797
189: ok 17798
189: ok 17799
189: ok 17800
189: ok 17801
189: ok 17802
189: ok 17803
189: ok 17804
189: ok 17805
189: ok 17806
189: ok 17807
189: ok 17808
189: ok 17809
189: ok 17810
189: ok 17811
189: ok 17812
189: ok 17813
189: ok 17814
189: ok 17815
189: ok 17816
189: ok 17817
189: ok 17818
189: ok 17819
189: ok 17820
189: ok 17821
189: ok 17822
189: ok 17823
189: ok 17824
189: ok 17825
189: ok 17826
189: ok 17827
189: ok 17828
189: ok 17829
189: ok 17830
189: ok 17831
189: ok 17832
189: ok 17833
189: ok 17834
189: ok 17835
189: ok 17836
189: ok 17837
189: ok 17838
189: ok 17839
189: ok 17840
189: ok 17841
189: ok 17842
189: ok 17843
189: ok 17844
189: ok 17845
189: ok 17846
189: ok 17847
189: ok 17848
189: ok 17849
189: ok 17850
189: ok 17851
189: ok 17852
189: ok 17853
189: ok 17854
189: ok 17855
189: ok 17856
189: ok 17857
189: ok 17858
189: ok 17859
189: ok 17860
189: ok 17861
189: ok 17862
189: ok 17863
189: ok 17864
189: ok 17865
189: ok 17866
189: ok 17867
189: ok 17868
189: ok 17869
189: ok 17870
189: ok 17871
189: ok 17872
189: ok 17873
189: ok 17874
189: ok 17875
189: ok 17876
189: ok 17877
189: ok 17878
189: ok 17879
189: ok 17880
189: ok 17881
189: ok 17882
189: ok 17883
189: ok 17884
189: ok 17885
189: ok 17886
189: ok 17887
189: ok 17888
189: ok 17889
189: ok 17890
189: ok 17891
189: ok 17892
189: ok 17893
189: ok 17894
189: ok 17895
189: ok 17896
189: ok 17897
189: ok 17898
189: ok 17899
189: ok 17900
189: ok 17901
189: ok 17902
189: ok 17903
189: ok 17904
189: ok 17905
189: ok 17906
189: ok 17907
189: ok 17908
189: ok 17909
189: ok 17910
189: ok 17911
189: ok 17912
189: ok 17913
189: ok 17914
189: ok 17915
189: ok 17916
189: ok 17917
189: ok 17918
189: ok 17919
189: ok 17920
189: ok 17921
189: ok 17922
189: ok 17923
189: ok 17924
189: ok 17925
189: ok 17926
189: ok 17927
189: ok 17928
189: ok 17929
189: ok 17930
189: ok 17931
189: ok 17932
189: ok 17933
189: ok 17934
189: ok 17935
189: ok 17936
189: ok 17937
189: ok 17938
189: ok 17939
189: ok 17940
189: ok 17941
189: ok 17942
189: ok 17943
189: ok 17944
189: ok 17945
189: ok 17946
189: ok 17947
189: ok 17948
189: ok 17949
189: ok 17950
189: ok 17951
189: ok 17952
189: ok 17953
189: ok 17954
189: ok 17955
189: ok 17956
189: ok 17957
189: ok 17958
189: ok 17959
189: ok 17960
189: ok 17961
189: ok 17962
189: ok 17963
189: ok 17964
189: ok 17965
189: ok 17966
189: ok 17967
189: ok 17968
189: ok 17969
189: ok 17970
189: ok 17971
189: ok 17972
189: ok 17973
189: ok 17974
189: ok 17975
189: ok 17976
189: ok 17977
189: ok 17978
189: ok 17979
189: ok 17980
189: ok 17981
189: ok 17982
189: ok 17983
189: ok 17984
189: ok 17985
189: ok 17986
189: ok 17987
189: ok 17988
189: ok 17989
189: ok 17990
189: ok 17991
189: ok 17992
189: ok 17993
189: ok 17994
189: ok 17995
189: ok 17996
189: ok 17997
189: ok 17998
189: ok 17999
189: ok 18000
189: ok 18001
189: ok 18002
189: ok 18003
189: ok 18004
189: ok 18005
189: ok 18006
189: ok 18007
189: ok 18008
189: ok 18009
189: ok 18010
189: ok 18011
189: ok 18012
189: ok 18013
189: ok 18014
189: ok 18015
189: ok 18016
189: ok 18017
189: ok 18018
189: ok 18019
189: ok 18020
189: ok 18021
189: ok 18022
189: ok 18023
189: ok 18024
189: ok 18025
189: ok 18026
189: ok 18027
189: ok 18028
189: ok 18029
189: ok 18030
189: ok 18031
189: ok 18032
189: ok 18033
189: ok 18034
189: ok 18035
189: ok 18036
189: ok 18037
189: ok 18038
189: ok 18039
189: ok 18040
189: ok 18041
189: ok 18042
189: ok 18043
189: ok 18044
189: ok 18045
189: ok 18046
189: ok 18047
189: ok 18048
189: ok 18049
189: ok 18050
189: ok 18051
189: ok 18052
189: ok 18053
189: ok 18054
189: ok 18055
189: ok 18056
189: ok 18057
189: ok 18058
189: ok 18059
189: ok 18060
189: ok 18061
189: ok 18062
189: ok 18063
189: ok 18064
189: ok 18065
189: ok 18066
189: ok 18067
189: ok 18068
189: ok 18069
189: ok 18070
189: ok 18071
189: ok 18072
189: ok 18073
189: ok 18074
189: ok 18075
189: ok 18076
189: ok 18077
189: ok 18078
189: ok 18079
189: ok 18080
189: ok 18081
189: ok 18082
189: ok 18083
189: ok 18084
189: ok 18085
189: ok 18086
189: ok 18087
189: ok 18088
189: ok 18089
189: ok 18090
189: ok 18091
189: ok 18092
189: ok 18093
189: ok 18094
189: ok 18095
189: ok 18096
189: ok 18097
189: ok 18098
189: ok 18099
189: ok 18100
189: ok 18101
189: ok 18102
189: ok 18103
189: ok 18104
189: ok 18105
189: ok 18106
189: ok 18107
189: ok 18108
189: ok 18109
189: ok 18110
189: ok 18111
189: ok 18112
189: ok 18113
189: ok 18114
189: ok 18115
189: ok 18116
189: ok 18117
189: ok 18118
189: ok 18119
189: ok 18120
189: ok 18121
189: ok 18122
189: ok 18123
189: ok 18124
189: ok 18125
189: ok 18126
189: ok 18127
189: ok 18128
189: ok 18129
189: ok 18130
189: ok 18131
189: ok 18132
189: ok 18133
189: ok 18134
189: ok 18135
189: ok 18136
189: ok 18137
189: ok 18138
189: ok 18139
189: ok 18140
189: ok 18141
189: ok 18142
189: ok 18143
189: ok 18144
189: ok 18145
189: ok 18146
189: ok 18147
189: ok 18148
189: ok 18149
189: ok 18150
189: ok 18151
189: ok 18152
189: ok 18153
189: ok 18154
189: ok 18155
189: ok 18156
189: ok 18157
189: ok 18158
189: ok 18159
189: ok 18160
189: ok 18161
189: ok 18162
189: ok 18163
189: ok 18164
189: ok 18165
189: ok 18166
189: ok 18167
189: ok 18168
189: ok 18169
189: ok 18170
189: ok 18171
189: ok 18172
189: ok 18173
189: ok 18174
189: ok 18175
189: ok 18176
189: ok 18177
189: ok 18178
189: ok 18179
189: ok 18180
189: ok 18181
189: ok 18182
189: ok 18183
189: ok 18184
189: ok 18185
189: ok 18186
189: ok 18187
189: ok 18188
189: ok 18189
189: ok 18190
189: ok 18191
189: ok 18192
189: ok 18193
189: ok 18194
189: ok 18195
189: ok 18196
189: ok 18197
189: ok 18198
189: ok 18199
189: ok 18200
189: ok 18201
189: ok 18202
189: ok 18203
189: ok 18204
189: ok 18205
189: ok 18206
189: ok 18207
189: ok 18208
189: ok 18209
189: ok 18210
189: ok 18211
189: ok 18212
189: ok 18213
189: ok 18214
189: ok 18215
189: ok 18216
189: ok 18217
189: ok 18218
189: ok 18219
189: ok 18220
189: ok 18221
189: ok 18222
189: ok 18223
189: ok 18224
189: ok 18225
189: ok 18226
189: ok 18227
189: ok 18228
189: ok 18229
189: ok 18230
189: ok 18231
189: ok 18232
189: ok 18233
189: ok 18234
189: ok 18235
189: ok 18236
189: ok 18237
189: ok 18238
189: ok 18239
189: ok 18240
189: ok 18241
189: ok 18242
189: ok 18243
189: ok 18244
189: ok 18245
189: ok 18246
189: ok 18247
189: ok 18248
189: ok 18249
189: ok 18250
189: ok 18251
189: ok 18252
189: ok 18253
189: ok 18254
189: ok 18255
189: ok 18256
189: ok 18257
189: ok 18258
189: ok 18259
189: ok 18260
189: ok 18261
189: ok 18262
189: ok 18263
189: ok 18264
189: ok 18265
189: ok 18266
189: ok 18267
189: ok 18268
189: ok 18269
189: ok 18270
189: ok 18271
189: ok 18272
189: ok 18273
189: ok 18274
189: ok 18275
189: ok 18276
189: ok 18277
189: ok 18278
189: ok 18279
189: ok 18280
189: ok 18281
189: ok 18282
189: ok 18283
189: ok 18284
189: ok 18285
189: ok 18286
189: ok 18287
189: ok 18288
189: ok 18289
189: ok 18290
189: ok 18291
189: ok 18292
189: ok 18293
189: ok 18294
189: ok 18295
189: ok 18296
189: ok 18297
189: ok 18298
189: ok 18299
189: ok 18300
189: ok 18301
189: ok 18302
189: ok 18303
189: ok 18304
189: ok 18305
189: ok 18306
189: ok 18307
189: ok 18308
189: ok 18309
189: ok 18310
189: ok 18311
189: ok 18312
189: ok 18313
189: ok 18314
189: ok 18315
189: ok 18316
189: ok 18317
189: ok 18318
189: ok 18319
189: ok 18320
189: ok 18321
189: ok 18322
189: ok 18323
189: ok 18324
189: ok 18325
189: ok 18326
189: ok 18327
189: ok 18328
189: ok 18329
189: ok 18330
189: ok 18331
189: ok 18332
189: ok 18333
189: ok 18334
189: ok 18335
189: ok 18336
189: ok 18337
189: ok 18338
189: ok 18339
189: ok 18340
189: ok 18341
189: ok 18342
189: ok 18343
189: ok 18344
189: ok 18345
189: ok 18346
189: ok 18347
189: ok 18348
189: ok 18349
189: ok 18350
189: ok 18351
189: ok 18352
189: ok 18353
189: ok 18354
189: ok 18355
189: ok 18356
189: ok 18357
189: ok 18358
189: ok 18359
189: ok 18360
189: ok 18361
189: ok 18362
189: ok 18363
189: ok 18364
189: ok 18365
189: ok 18366
189: ok 18367
189: ok 18368
189: ok 18369
189: ok 18370
189: ok 18371
189: ok 18372
189: ok 18373
189: ok 18374
189: ok 18375
189: ok 18376
189: ok 18377
189: ok 18378
189: ok 18379
189: ok 18380
189: ok 18381
189: ok 18382
189: ok 18383
189: ok 18384
189: ok 18385
189: ok 18386
189: ok 18387
189: ok 18388
189: ok 18389
189: ok 18390
189: ok 18391
189: ok 18392
189: ok 18393
189: ok 18394
189: ok 18395
189: ok 18396
189: ok 18397
189: ok 18398
189: ok 18399
189: ok 18400
189: ok 18401
189: ok 18402
189: ok 18403
189: ok 18404
189: ok 18405
189: ok 18406
189: ok 18407
189: ok 18408
189: ok 18409
189: ok 18410
189: ok 18411
189: ok 18412
189: ok 18413
189: ok 18414
189: ok 18415
189: ok 18416
189: ok 18417
189: ok 18418
189: ok 18419
189: ok 18420
189: ok 18421
189: ok 18422
189: ok 18423
189: ok 18424
189: ok 18425
189: ok 18426
189: ok 18427
189: ok 18428
189: ok 18429
189: ok 18430
189: ok 18431
189: ok 18432
189: ok 18433
189: ok 18434
189: ok 18435
189: ok 18436
189: ok 18437
189: ok 18438
189: ok 18439
189: ok 18440
189: ok 18441
189: ok 18442
189: ok 18443
189: ok 18444
189: ok 18445
189: ok 18446
189: ok 18447
189: ok 18448
189: ok 18449
189: ok 18450
189: ok 18451
189: ok 18452
189: ok 18453
189: ok 18454
189: ok 18455
189: ok 18456
189: ok 18457
189: ok 18458
189: ok 18459
189: ok 18460
189: ok 18461
189: ok 18462
189: ok 18463
189: ok 18464
189: ok 18465
189: ok 18466
189: ok 18467
189: ok 18468
189: ok 18469
189: ok 18470
189: ok 18471
189: ok 18472
189: ok 18473
189: ok 18474
189: ok 18475
189: ok 18476
189: ok 18477
189: ok 18478
189: ok 18479
189: ok 18480
189: ok 18481
189: ok 18482
189: ok 18483
189: ok 18484
189: ok 18485
189: ok 18486
189: ok 18487
189: ok 18488
189: ok 18489
189: ok 18490
189: ok 18491
189: ok 18492
189: ok 18493
189: ok 18494
189: ok 18495
189: ok 18496
189: ok 18497
189: ok 18498
189: ok 18499
189: ok 18500
189: ok 18501
189: ok 18502
189: ok 18503
189: ok 18504
189: ok 18505
189: ok 18506
189: ok 18507
189: ok 18508
189: ok 18509
189: ok 18510
189: ok 18511
189: ok 18512
189: ok 18513
189: ok 18514
189: ok 18515
189: ok 18516
189: ok 18517
189: ok 18518
189: ok 18519
189: ok 18520
189: ok 18521
189: ok 18522
189: ok 18523
189: ok 18524
189: ok 18525
189: ok 18526
189: ok 18527
189: ok 18528
189: ok 18529
189: ok 18530
189: ok 18531
189: ok 18532
189: ok 18533
189: ok 18534
189: ok 18535
189: ok 18536
189: ok 18537
189: ok 18538
189: ok 18539
189: ok 18540
189: ok 18541
189: ok 18542
189: ok 18543
189: ok 18544
189: ok 18545
189: ok 18546
189: ok 18547
189: ok 18548
189: ok 18549
189: ok 18550
189: ok 18551
189: ok 18552
189: ok 18553
189: ok 18554
189: ok 18555
189: ok 18556
189: ok 18557
189: ok 18558
189: ok 18559
189: ok 18560
189: ok 18561
189: ok 18562
189: ok 18563
189: ok 18564
189: ok 18565
189: ok 18566
189: ok 18567
189: ok 18568
189: ok 18569
189: ok 18570
189: ok 18571
189: ok 18572
189: ok 18573
189: ok 18574
189: ok 18575
189: ok 18576
189: ok 18577
189: ok 18578
189: ok 18579
189: ok 18580
189: ok 18581
189: ok 18582
189: ok 18583
189: ok 18584
189: ok 18585
189: ok 18586
189: ok 18587
189: ok 18588
189: ok 18589
189: ok 18590
189: ok 18591
189: ok 18592
189: ok 18593
189: ok 18594
189: ok 18595
189: ok 18596
189: ok 18597
189: ok 18598
189: ok 18599
189: ok 18600
189: ok 18601
189: ok 18602
189: ok 18603
189: ok 18604
189: ok 18605
189: ok 18606
189: ok 18607
189: ok 18608
189: ok 18609
189: ok 18610
189: ok 18611
189: ok 18612
189: ok 18613
189: ok 18614
189: ok 18615
189: ok 18616
189: ok 18617
189: ok 18618
189: ok 18619
189: ok 18620
189: ok 18621
189: ok 18622
189: ok 18623
189: ok 18624
189: ok 18625
189: ok 18626
189: ok 18627
189: ok 18628
189: ok 18629
189: ok 18630
189: ok 18631
189: ok 18632
189: ok 18633
189: ok 18634
189: ok 18635
189: ok 18636
189: ok 18637
189: ok 18638
189: ok 18639
189: ok 18640
189: ok 18641
189: ok 18642
189: ok 18643
189: ok 18644
189: ok 18645
189: ok 18646
189: ok 18647
189: ok 18648
189: ok 18649
189: ok 18650
189: ok 18651
189: ok 18652
189: ok 18653
189: ok 18654
189: ok 18655
189: ok 18656
189: ok 18657
189: ok 18658
189: ok 18659
189: ok 18660
189: ok 18661
189: ok 18662
189: ok 18663
189: ok 18664
189: ok 18665
189: ok 18666
189: ok 18667
189: ok 18668
189: ok 18669
189: ok 18670
189: ok 18671
189: ok 18672
189: ok 18673
189: ok 18674
189: ok 18675
189: ok 18676
189: ok 18677
189: ok 18678
189: ok 18679
189: ok 18680
189: ok 18681
189: ok 18682
189: ok 18683
189: ok 18684
189: ok 18685
189: ok 18686
189: ok 18687
189: ok 18688
189: ok 18689
189: ok 18690
189: ok 18691
189: ok 18692
189: ok 18693
189: ok 18694
189: ok 18695
189: ok 18696
189: ok 18697
189: ok 18698
189: ok 18699
189: ok 18700
189: ok 18701
189: ok 18702
189: ok 18703
189: ok 18704
189: ok 18705
189: ok 18706
189: ok 18707
189: ok 18708
189: ok 18709
189: ok 18710
189: ok 18711
189: ok 18712
189: ok 18713
189: ok 18714
189: ok 18715
189: ok 18716
189: ok 18717
189: ok 18718
189: ok 18719
189: ok 18720
189: ok 18721
189: ok 18722
189: ok 18723
189: ok 18724
189: ok 18725
189: ok 18726
189: ok 18727
189: ok 18728
189: ok 18729
189: ok 18730
189: ok 18731
189: ok 18732
189: ok 18733
189: ok 18734
189: ok 18735
189: ok 18736
189: ok 18737
189: ok 18738
189: ok 18739
189: ok 18740
189: ok 18741
189: ok 18742
189: ok 18743
189: ok 18744
189: ok 18745
189: ok 18746
189: ok 18747
189: ok 18748
189: ok 18749
189: ok 18750
189: ok 18751
189: ok 18752
189: ok 18753
189: ok 18754
189: ok 18755
189: ok 18756
189: ok 18757
189: ok 18758
189: ok 18759
189: ok 18760
189: ok 18761
189: ok 18762
189: ok 18763
189: ok 18764
189: ok 18765
189: ok 18766
189: ok 18767
189: ok 18768
189: ok 18769
189: ok 18770
189: ok 18771
189: ok 18772
189: ok 18773
189: ok 18774
189: ok 18775
189: ok 18776
189: ok 18777
189: ok 18778
189: ok 18779
189: ok 18780
189: ok 18781
189: ok 18782
189: ok 18783
189: ok 18784
189: ok 18785
189: ok 18786
189: ok 18787
189: ok 18788
189: ok 18789
189: ok 18790
189: ok 18791
189: ok 18792
189: ok 18793
189: ok 18794
189: ok 18795
189: ok 18796
189: ok 18797
189: ok 18798
189: ok 18799
189: ok 18800
189: ok 18801
189: ok 18802
189: ok 18803
189: ok 18804
189: ok 18805
189: ok 18806
189: ok 18807
189: ok 18808
189: ok 18809
189: ok 18810
189: ok 18811
189: ok 18812
189: ok 18813
189: ok 18814
189: ok 18815
189: ok 18816
189: ok 18817
189: ok 18818
189: ok 18819
189: ok 18820
189: ok 18821
189: ok 18822
189: ok 18823
189: ok 18824
189: ok 18825
189: ok 18826
189: ok 18827
189: ok 18828
189: ok 18829
189: ok 18830
189: ok 18831
189: ok 18832
189: ok 18833
189: ok 18834
189: ok 18835
189: ok 18836
189: ok 18837
189: ok 18838
189: ok 18839
189: ok 18840
189: ok 18841
189: ok 18842
189: ok 18843
189: ok 18844
189: ok 18845
189: ok 18846
189: ok 18847
189: ok 18848
189: ok 18849
189: ok 18850
189: ok 18851
189: ok 18852
189: ok 18853
189: ok 18854
189: ok 18855
189: ok 18856
189: ok 18857
189: ok 18858
189: ok 18859
189: ok 18860
189: ok 18861
189: ok 18862
189: ok 18863
189: ok 18864
189: ok 18865
189: ok 18866
189: ok 18867
189: ok 18868
189: ok 18869
189: ok 18870
189: ok 18871
189: ok 18872
189: ok 18873
189: ok 18874
189: ok 18875
189: ok 18876
189: ok 18877
189: ok 18878
189: ok 18879
189: ok 18880
189: ok 18881
189: ok 18882
189: ok 18883
189: ok 18884
189: ok 18885
189: ok 18886
189: ok 18887
189: ok 18888
189: ok 18889
189: ok 18890
189: ok 18891
189: ok 18892
189: ok 18893
189: ok 18894
189: ok 18895
189: ok 18896
189: ok 18897
189: ok 18898
189: ok 18899
189: ok 18900
189: ok 18901
189: ok 18902
189: ok 18903
189: ok 18904
189: ok 18905
189: ok 18906
189: ok 18907
189: ok 18908
189: ok 18909
189: ok 18910
189: ok 18911
189: ok 18912
189: ok 18913
189: ok 18914
189: ok 18915
189: ok 18916
189: ok 18917
189: ok 18918
189: ok 18919
189: ok 18920
189: ok 18921
189: ok 18922
189: ok 18923
189: ok 18924
189: ok 18925
189: ok 18926
189: ok 18927
189: ok 18928
189: ok 18929
189: ok 18930
189: ok 18931
189: ok 18932
189: ok 18933
189: ok 18934
189: ok 18935
189: ok 18936
189: ok 18937
189: ok 18938
189: ok 18939
189: ok 18940
189: ok 18941
189: ok 18942
189: ok 18943
189: ok 18944
189: ok 18945
189: ok 18946
189: ok 18947
189: ok 18948
189: ok 18949
189: ok 18950
189: ok 18951
189: ok 18952
189: ok 18953
189: ok 18954
189: ok 18955
189: ok 18956
189: ok 18957
189: ok 18958
189: ok 18959
189: ok 18960
189: ok 18961
189: ok 18962
189: ok 18963
189: ok 18964
189: ok 18965
189: ok 18966
189: ok 18967
189: ok 18968
189: ok 18969
189: ok 18970
189: ok 18971
189: ok 18972
189: ok 18973
189: ok 18974
189: ok 18975
189: ok 18976
189: ok 18977
189: ok 18978
189: ok 18979
189: ok 18980
189: ok 18981
189: ok 18982
189: ok 18983
189: ok 18984
189: ok 18985
189: ok 18986
189: ok 18987
189: ok 18988
189: ok 18989
189: ok 18990
189: ok 18991
189: ok 18992
189: ok 18993
189: ok 18994
189: ok 18995
189: ok 18996
189: ok 18997
189: ok 18998
189: ok 18999
189: ok 19000
189: ok 19001
189: ok 19002
189: ok 19003
189: ok 19004
189: ok 19005
189: ok 19006
189: ok 19007
189: ok 19008
189: ok 19009
189: ok 19010
189: ok 19011
189: ok 19012
189: ok 19013
189: ok 19014
189: ok 19015
189: ok 19016
189: ok 19017
189: ok 19018
189: ok 19019
189: ok 19020
189: ok 19021
189: ok 19022
189: ok 19023
189: ok 19024
189: ok 19025
189: ok 19026
189: ok 19027
189: ok 19028
189: ok 19029
189: ok 19030
189: ok 19031
189: ok 19032
189: ok 19033
189: ok 19034
189: ok 19035
189: ok 19036
189: ok 19037
189: ok 19038
189: ok 19039
189: ok 19040
189: ok 19041
189: ok 19042
189: ok 19043
189: ok 19044
189: ok 19045
189: ok 19046
189: ok 19047
189: ok 19048
189: ok 19049
189: ok 19050
189: ok 19051
189: ok 19052
189: ok 19053
189: ok 19054
189: ok 19055
189: ok 19056
189: ok 19057
189: ok 19058
189: ok 19059
189: ok 19060
189: ok 19061
189: ok 19062
189: ok 19063
189: ok 19064
189: ok 19065
189: ok 19066
189: ok 19067
189: ok 19068
189: ok 19069
189: ok 19070
189: ok 19071
189: ok 19072
189: ok 19073
189: ok 19074
189: ok 19075
189: ok 19076
189: ok 19077
189: ok 19078
189: ok 19079
189: ok 19080
189: ok 19081
189: ok 19082
189: ok 19083
189: ok 19084
189: ok 19085
189: ok 19086
189: ok 19087
189: ok 19088
189: ok 19089
189: ok 19090
189: ok 19091
189: ok 19092
189: ok 19093
189: ok 19094
189: ok 19095
189: ok 19096
189: ok 19097
189: ok 19098
189: ok 19099
189: ok 19100
189: ok 19101
189: ok 19102
189: ok 19103
189: ok 19104
189: ok 19105
189: ok 19106
189: ok 19107
189: ok 19108
189: ok 19109
189: ok 19110
189: ok 19111
189: ok 19112
189: ok 19113
189: ok 19114
189: ok 19115
189: ok 19116
189: ok 19117
189: ok 19118
189: ok 19119
189: ok 19120
189: ok 19121
189: ok 19122
189: ok 19123
189: ok 19124
189: ok 19125
189: ok 19126
189: ok 19127
189: ok 19128
189: ok 19129
189: ok 19130
189: ok 19131
189: ok 19132
189: ok 19133
189: ok 19134
189: ok 19135
189: ok 19136
189: ok 19137
189: ok 19138
189: ok 19139
189: ok 19140
189: ok 19141
189: ok 19142
189: ok 19143
189: ok 19144
189: ok 19145
189: ok 19146
189: ok 19147
189: ok 19148
189: ok 19149
189: ok 19150
189: ok 19151
189: ok 19152
189: ok 19153
189: ok 19154
189: ok 19155
189: ok 19156
189: ok 19157
189: ok 19158
189: ok 19159
189: ok 19160
189: ok 19161
189: ok 19162
189: ok 19163
189: ok 19164
189: ok 19165
189: ok 19166
189: ok 19167
189: ok 19168
189: ok 19169
189: ok 19170
189: ok 19171
189: ok 19172
189: ok 19173
189: ok 19174
189: ok 19175
189: ok 19176
189: ok 19177
189: ok 19178
189: ok 19179
189: ok 19180
189: ok 19181
189: ok 19182
189: ok 19183
189: ok 19184
189: ok 19185
189: ok 19186
189: ok 19187
189: ok 19188
189: ok 19189
189: ok 19190
189: ok 19191
189: ok 19192
189: ok 19193
189: ok 19194
189: ok 19195
189: ok 19196
189: ok 19197
189: ok 19198
189: ok 19199
189: ok 19200
189: ok 19201
189: ok 19202
189: ok 19203
189: ok 19204
189: ok 19205
189: ok 19206
189: ok 19207
189: ok 19208
189: ok 19209
189: ok 19210
189: ok 19211
189: ok 19212
189: ok 19213
189: ok 19214
189: ok 19215
189: ok 19216
189: ok 19217
189: ok 19218
189: ok 19219
189: ok 19220
189: ok 19221
189: ok 19222
189: ok 19223
189: ok 19224
189: ok 19225
189: ok 19226
189: ok 19227
189: ok 19228
189: ok 19229
189: ok 19230
189: ok 19231
189: ok 19232
189: ok 19233
189: ok 19234
189: ok 19235
189: ok 19236
189: ok 19237
189: ok 19238
189: ok 19239
189: ok 19240
189: ok 19241
189: ok 19242
189: ok 19243
189: ok 19244
189: ok 19245
189: ok 19246
189: ok 19247
189: ok 19248
189: ok 19249
189: ok 19250
189: ok 19251
189: ok 19252
189: ok 19253
189: ok 19254
189: ok 19255
189: ok 19256
189: ok 19257
189: ok 19258
189: ok 19259
189: ok 19260
189: ok 19261
189: ok 19262
189: ok 19263
189: ok 19264
189: ok 19265
189: ok 19266
189: ok 19267
189: ok 19268
189: ok 19269
189: ok 19270
189: ok 19271
189: ok 19272
189: ok 19273
189: ok 19274
189: ok 19275
189: ok 19276
189: ok 19277
189: ok 19278
189: ok 19279
189: ok 19280
189: ok 19281
189: ok 19282
189: ok 19283
189: ok 19284
189: ok 19285
189: ok 19286
189: ok 19287
189: ok 19288
189: ok 19289
189: ok 19290
189: ok 19291
189: ok 19292
189: ok 19293
189: ok 19294
189: ok 19295
189: ok 19296
189: ok 19297
189: ok 19298
189: ok 19299
189: ok 19300
189: ok 19301
189: ok 19302
189: ok 19303
189: ok 19304
189: ok 19305
189: ok 19306
189: ok 19307
189: ok 19308
189: ok 19309
189: ok 19310
189: ok 19311
189: ok 19312
189: ok 19313
189: ok 19314
189: ok 19315
189: ok 19316
189: ok 19317
189: ok 19318
189: ok 19319
189: ok 19320
189: ok 19321
189: ok 19322
189: ok 19323
189: ok 19324
189: ok 19325
189: ok 19326
189: ok 19327
189: ok 19328
189: ok 19329
189: ok 19330
189: ok 19331
189: ok 19332
189: ok 19333
189: ok 19334
189: ok 19335
189: ok 19336
189: ok 19337
189: ok 19338
189: ok 19339
189: ok 19340
189: ok 19341
189: ok 19342
189: ok 19343
189: ok 19344
189: ok 19345
189: ok 19346
189: ok 19347
189: ok 19348
189: ok 19349
189: ok 19350
189: ok 19351
189: ok 19352
189: ok 19353
189: ok 19354
189: ok 19355
189: ok 19356
189: ok 19357
189: ok 19358
189: ok 19359
189: ok 19360
189: ok 19361
189: ok 19362
189: ok 19363
189: ok 19364
189: ok 19365
189: ok 19366
189: ok 19367
189: ok 19368
189: ok 19369
189: ok 19370
189: ok 19371
189: ok 19372
189: ok 19373
189: ok 19374
189: ok 19375
189: ok 19376
189: ok 19377
189: ok 19378
189: ok 19379
189: ok 19380
189: ok 19381
189: ok 19382
189: ok 19383
189: ok 19384
189: ok 19385
189: ok 19386
189: ok 19387
189: ok 19388
189: ok 19389
189: ok 19390
189: ok 19391
189: ok 19392
189: ok 19393
189: ok 19394
189: ok 19395
189: ok 19396
189: ok 19397
189: ok 19398
189: ok 19399
189: ok 19400
189: ok 19401
189: ok 19402
189: ok 19403
189: ok 19404
189: ok 19405
189: ok 19406
189: ok 19407
189: ok 19408
189: ok 19409
189: ok 19410
189: ok 19411
189: ok 19412
189: ok 19413
189: ok 19414
189: ok 19415
189: ok 19416
189: ok 19417
189: ok 19418
189: ok 19419
189: ok 19420
189: ok 19421
189: ok 19422
189: ok 19423
189: ok 19424
189: ok 19425
189: ok 19426
189: ok 19427
189: ok 19428
189: ok 19429
189: ok 19430
189: ok 19431
189: ok 19432
189: ok 19433
189: ok 19434
189: ok 19435
189: ok 19436
189: ok 19437
189: ok 19438
189: ok 19439
189: ok 19440
189: ok 19441
189: ok 19442
189: ok 19443
189: ok 19444
189: ok 19445
189: ok 19446
189: ok 19447
189: ok 19448
189: ok 19449
189: ok 19450
189: ok 19451
189: ok 19452
189: ok 19453
189: ok 19454
189: ok 19455
189: ok 19456
189: ok 19457
189: ok 19458
189: ok 19459
189: ok 19460
189: ok 19461
189: ok 19462
189: ok 19463
189: ok 19464
189: ok 19465
189: ok 19466
189: ok 19467
189: ok 19468
189: ok 19469
189: ok 19470
189: ok 19471
189: ok 19472
189: ok 19473
189: ok 19474
189: ok 19475
189: ok 19476
189: ok 19477
189: ok 19478
189: ok 19479
189: ok 19480
189: ok 19481
189: ok 19482
189: ok 19483
189: ok 19484
189: ok 19485
189: ok 19486
189: ok 19487
189: ok 19488
189: ok 19489
189: ok 19490
189: ok 19491
189: ok 19492
189: ok 19493
189: ok 19494
189: ok 19495
189: ok 19496
189: ok 19497
189: ok 19498
189: ok 19499
189: ok 19500
189: ok 19501
189: ok 19502
189: ok 19503
189: ok 19504
189: ok 19505
189: ok 19506
189: ok 19507
189: ok 19508
189: ok 19509
189: ok 19510
189: ok 19511
189: ok 19512
189: ok 19513
189: ok 19514
189: ok 19515
189: ok 19516
189: ok 19517
189: ok 19518
189: ok 19519
189: ok 19520
189: ok 19521
189: ok 19522
189: ok 19523
189: ok 19524
189: ok 19525
189: ok 19526
189: ok 19527
189: ok 19528
189: ok 19529
189: ok 19530
189: ok 19531
189: ok 19532
189: ok 19533
189: ok 19534
189: ok 19535
189: ok 19536
189: ok 19537
189: ok 19538
189: ok 19539
189: ok 19540
189: ok 19541
189: ok 19542
189: ok 19543
189: ok 19544
189: ok 19545
189: ok 19546
189: ok 19547
189: ok 19548
189: ok 19549
189: ok 19550
189: ok 19551
189: ok 19552
189: ok 19553
189: ok 19554
189: ok 19555
189: ok 19556
189: ok 19557
189: ok 19558
189: ok 19559
189: ok 19560
189: ok 19561
189: ok 19562
189: ok 19563
189: ok 19564
189: ok 19565
189: ok 19566
189: ok 19567
189: ok 19568
189: ok 19569
189: ok 19570
189: ok 19571
189: ok 19572
189: ok 19573
189: ok 19574
189: ok 19575
189: ok 19576
189: ok 19577
189: ok 19578
189: ok 19579
189: ok 19580
189: ok 19581
189: ok 19582
189: ok 19583
189: ok 19584
189: ok 19585
189: ok 19586
189: ok 19587
189: ok 19588
189: ok 19589
189: ok 19590
189: ok 19591
189: ok 19592
189: ok 19593
189: ok 19594
189: ok 19595
189: ok 19596
189: ok 19597
189: ok 19598
189: ok 19599
189: ok 19600
189: ok 19601
189: ok 19602
189: ok 19603
189: ok 19604
189: ok 19605
189: ok 19606
189: ok 19607
189: ok 19608
189: ok 19609
189: ok 19610
189: ok 19611
189: ok 19612
189: ok 19613
189: ok 19614
189: ok 19615
189: ok 19616
189: ok 19617
189: ok 19618
189: ok 19619
189: ok 19620
189: ok 19621
189: ok 19622
189: ok 19623
189: ok 19624
189: ok 19625
189: ok 19626
189: ok 19627
189: ok 19628
189: ok 19629
189: ok 19630
189: ok 19631
189: ok 19632
189: ok 19633
189: ok 19634
189: ok 19635
189: ok 19636
189: ok 19637
189: ok 19638
189: ok 19639
189: ok 19640
189: ok 19641
189: ok 19642
189: ok 19643
189: ok 19644
189: ok 19645
189: ok 19646
189: ok 19647
189: ok 19648
189: ok 19649
189: ok 19650
189: ok 19651
189: ok 19652
189: ok 19653
189: ok 19654
189: ok 19655
189: ok 19656
189: ok 19657
189: ok 19658
189: ok 19659
189: ok 19660
189: ok 19661
189: ok 19662
189: ok 19663
189: ok 19664
189: ok 19665
189: ok 19666
189: ok 19667
189: ok 19668
189: ok 19669
189: ok 19670
189: ok 19671
189: ok 19672
189: ok 19673
189: ok 19674
189: ok 19675
189: ok 19676
189: ok 19677
189: ok 19678
189: ok 19679
189: ok 19680
189: ok 19681
189: ok 19682
189: ok 19683
189: ok 19684
189: ok 19685
189: ok 19686
189: ok 19687
189: ok 19688
189: ok 19689
189: ok 19690
189: ok 19691
189: ok 19692
189: ok 19693
189: ok 19694
189: ok 19695
189: ok 19696
189: ok 19697
189: ok 19698
189: ok 19699
189: ok 19700
189: ok 19701
189: ok 19702
189: ok 19703
189: ok 19704
189: ok 19705
189: ok 19706
189: ok 19707
189: ok 19708
189: ok 19709
189: ok 19710
189: ok 19711
189: ok 19712
189: ok 19713
189: ok 19714
189: ok 19715
189: ok 19716
189: ok 19717
189: ok 19718
189: ok 19719
189: ok 19720
189: ok 19721
189: ok 19722
189: ok 19723
189: ok 19724
189: ok 19725
189: ok 19726
189: ok 19727
189: ok 19728
189: ok 19729
189: ok 19730
189: ok 19731
189: ok 19732
189: ok 19733
189: ok 19734
189: ok 19735
189: ok 19736
189: ok 19737
189: ok 19738
189: ok 19739
189: ok 19740
189: ok 19741
189: ok 19742
189: ok 19743
189: ok 19744
189: ok 19745
189: ok 19746
189: ok 19747
189: ok 19748
189: ok 19749
189: ok 19750
189: ok 19751
189: ok 19752
189: ok 19753
189: ok 19754
189: ok 19755
189: ok 19756
189: ok 19757
189: ok 19758
189: ok 19759
189: ok 19760
189: ok 19761
189: ok 19762
189: ok 19763
189: ok 19764
189: ok 19765
189: ok 19766
189: ok 19767
189: ok 19768
189: ok 19769
189: ok 19770
189: ok 19771
189: ok 19772
189: ok 19773
189: ok 19774
189: ok 19775
189: ok 19776
189: ok 19777
189: ok 19778
189: ok 19779
189: ok 19780
189: ok 19781
189: ok 19782
189: ok 19783
189: ok 19784
189: ok 19785
189: ok 19786
189: ok 19787
189: ok 19788
189: ok 19789
189: ok 19790
189: ok 19791
189: ok 19792
189: ok 19793
189: ok 19794
189: ok 19795
189: ok 19796
189: ok 19797
189: ok 19798
189: ok 19799
189: ok 19800
189: ok 19801
189: ok 19802
189: ok 19803
189: ok 19804
189: ok 19805
189: ok 19806
189: ok 19807
189: ok 19808
189: ok 19809
189: ok 19810
189: ok 19811
189: ok 19812
189: ok 19813
189: ok 19814
189: ok 19815
189: ok 19816
189: ok 19817
189: ok 19818
189: ok 19819
189: ok 19820
189: ok 19821
189: ok 19822
189: ok 19823
189: ok 19824
189: ok 19825
189: ok 19826
189: ok 19827
189: ok 19828
189: ok 19829
189: ok 19830
189: ok 19831
189: ok 19832
189: ok 19833
189: ok 19834
189: ok 19835
189: ok 19836
189: ok 19837
189: ok 19838
189: ok 19839
189: ok 19840
189: ok 19841
189: ok 19842
189: ok 19843
189: ok 19844
189: ok 19845
189: ok 19846
189: ok 19847
189: ok 19848
189: ok 19849
189: ok 19850
189: ok 19851
189: ok 19852
189: ok 19853
189: ok 19854
189: ok 19855
189: ok 19856
189: ok 19857
189: ok 19858
189: ok 19859
189: ok 19860
189: ok 19861
189: ok 19862
189: ok 19863
189: ok 19864
189: ok 19865
189: ok 19866
189: ok 19867
189: ok 19868
189: ok 19869
189: ok 19870
189: ok 19871
189: ok 19872
189: ok 19873
189: ok 19874
189: ok 19875
189: ok 19876
189: ok 19877
189: ok 19878
189: ok 19879
189: ok 19880
189: ok 19881
189: ok 19882
189: ok 19883
189: ok 19884
189: ok 19885
189: ok 19886
189: ok 19887
189: ok 19888
189: ok 19889
189: ok 19890
189: ok 19891
189: ok 19892
189: ok 19893
189: ok 19894
189: ok 19895
189: ok 19896
189: ok 19897
189: ok 19898
189: ok 19899
189: ok 19900
189: ok 19901
189: ok 19902
189: ok 19903
189: ok 19904
189: ok 19905
189: ok 19906
189: ok 19907
189: ok 19908
189: ok 19909
189: ok 19910
189: ok 19911
189: ok 19912
189: ok 19913
189: ok 19914
189: ok 19915
189: ok 19916
189: ok 19917
189: ok 19918
189: ok 19919
189: ok 19920
189: ok 19921
189: ok 19922
189: ok 19923
189: ok 19924
189: ok 19925
189: ok 19926
189: ok 19927
189: ok 19928
189: ok 19929
189: ok 19930
189: ok 19931
189: ok 19932
189: ok 19933
189: ok 19934
189: ok 19935
189: ok 19936
189: ok 19937
189: ok 19938
189: ok 19939
189: ok 19940
189: ok 19941
189: ok 19942
189: ok 19943
189: ok 19944
189: ok 19945
189: ok 19946
189: ok 19947
189: ok 19948
189: ok 19949
189: ok 19950
189: ok 19951
189: ok 19952
189: ok 19953
189: ok 19954
189: ok 19955
189: ok 19956
189: ok 19957
189: ok 19958
189: ok 19959
189: ok 19960
189: ok 19961
189: ok 19962
189: ok 19963
189: ok 19964
189: ok 19965
189: ok 19966
189: ok 19967
189: ok 19968
189: ok 19969
189: ok 19970
189: ok 19971
189: ok 19972
189: ok 19973
189: ok 19974
189: ok 19975
189: ok 19976
189: ok 19977
189: ok 19978
189: ok 19979
189: ok 19980
189: ok 19981
189: ok 19982
189: ok 19983
189: ok 19984
189: ok 19985
189: ok 19986
189: ok 19987
189: ok 19988
189: ok 19989
189: ok 19990
189: ok 19991
189: ok 19992
189: ok 19993
189: ok 19994
189: ok 19995
189: ok 19996
189: ok 19997
189: ok 19998
189: ok 19999
189: ok 20000
189: ok 20001
189: ok 20002
189: ok 20003
189: ok 20004
189: ok 20005
189: ok 20006
189: ok 20007
189: ok 20008
189: ok 20009
189: ok 20010
189: ok 20011
189: ok 20012
189: ok 20013
189: ok 20014
189: ok 20015
189: ok 20016
189: ok 20017
189: ok 20018
189: ok 20019
189: ok 20020
189: ok 20021
189: ok 20022
189: ok 20023
189: ok 20024
189: ok 20025
189: ok 20026
189: ok 20027
189: ok 20028
189: ok 20029
189: ok 20030
189: ok 20031
189: ok 20032
189: ok 20033
189: ok 20034
189: ok 20035
189: ok 20036
189: ok 20037
189: ok 20038
189: ok 20039
189: ok 20040
189: ok 20041
189: ok 20042
189: ok 20043
189: ok 20044
189: ok 20045
189: ok 20046
189: ok 20047
189: ok 20048
189: ok 20049
189: ok 20050
189: ok 20051
189: ok 20052
189: ok 20053
189: ok 20054
189: ok 20055
189: ok 20056
189: ok 20057
189: ok 20058
189: ok 20059
189: ok 20060
189: ok 20061
189: ok 20062
189: ok 20063
189: ok 20064
189: ok 20065
189: ok 20066
189: ok 20067
189: ok 20068
189: ok 20069
189: ok 20070
189: ok 20071
189: ok 20072
189: ok 20073
189: ok 20074
189: ok 20075
189: ok 20076
189: ok 20077
189: ok 20078
189: ok 20079
189: ok 20080
189: ok 20081
189: ok 20082
189: ok 20083
189: ok 20084
189: ok 20085
189: ok 20086
189: ok 20087
189: ok 20088
189: ok 20089
189: ok 20090
189: ok 20091
189: ok 20092
189: ok 20093
189: ok 20094
189: ok 20095
189: ok 20096
189: ok 20097
189: ok 20098
189: ok 20099
189: ok 20100
189: ok 20101
189: ok 20102
189: ok 20103
189: ok 20104
189: ok 20105
189: ok 20106
189: ok 20107
189: ok 20108
189: ok 20109
189: ok 20110
189: ok 20111
189: ok 20112
189: ok 20113
189: ok 20114
189: ok 20115
189: ok 20116
189: ok 20117
189: ok 20118
189: ok 20119
189: ok 20120
189: ok 20121
189: ok 20122
189: ok 20123
189: ok 20124
189: ok 20125
189: ok 20126
189: ok 20127
189: ok 20128
189: ok 20129
189: ok 20130
189: ok 20131
189: ok 20132
189: ok 20133
189: ok 20134
189: ok 20135
189: ok 20136
189: ok 20137
189: ok 20138
189: ok 20139
189: ok 20140
189: ok 20141
189: ok 20142
189: ok 20143
189: ok 20144
189: ok 20145
189: ok 20146
189: ok 20147
189: ok 20148
189: ok 20149
189: ok 20150
189: ok 20151
189: ok 20152
189: ok 20153
189: ok 20154
189: ok 20155
189: ok 20156
189: ok 20157
189: ok 20158
189: ok 20159
189: ok 20160
189: ok 20161
189: ok 20162
189: ok 20163
189: ok 20164
189: ok 20165
189: ok 20166
189: ok 20167
189: ok 20168
189: ok 20169
189: ok 20170
189: ok 20171
189: ok 20172
189: ok 20173
189: ok 20174
189: ok 20175
189: ok 20176
189: ok 20177
189: ok 20178
189: ok 20179
189: ok 20180
189: ok 20181
189: ok 20182
189: ok 20183
189: ok 20184
189: ok 20185
189: ok 20186
189: ok 20187
189: ok 20188
189: ok 20189
189: ok 20190
189: ok 20191
189: ok 20192
189: ok 20193
189: ok 20194
189: ok 20195
189: ok 20196
189: ok 20197
189: ok 20198
189: ok 20199
189: ok 20200
189: ok 20201
189: ok 20202
189: ok 20203
189: ok 20204
189: ok 20205
189: ok 20206
189: ok 20207
189: ok 20208
189: ok 20209
189: ok 20210
189: ok 20211
189: ok 20212
189: ok 20213
189: ok 20214
189: ok 20215
189: ok 20216
189: ok 20217
189: ok 20218
189: ok 20219
189: ok 20220
189: ok 20221
189: ok 20222
189: ok 20223
189: ok 20224
189: ok 20225
189: ok 20226
189: ok 20227
189: ok 20228
189: ok 20229
189: ok 20230
189: ok 20231
189: ok 20232
189: ok 20233
189: ok 20234
189: ok 20235
189: ok 20236
189: ok 20237
189: ok 20238
189: ok 20239
189: ok 20240
189: ok 20241
189: ok 20242
189: ok 20243
189: ok 20244
189: ok 20245
189: ok 20246
189: ok 20247
189: ok 20248
189: ok 20249
189: ok 20250
189: ok 20251
189: ok 20252
189: ok 20253
189: ok 20254
189: ok 20255
189: ok 20256
189: ok 20257
189: ok 20258
189: ok 20259
189: ok 20260
189: ok 20261
189: ok 20262
189: ok 20263
189: ok 20264
189: ok 20265
189: ok 20266
189: ok 20267
189: ok 20268
189: ok 20269
189: ok 20270
189: ok 20271
189: ok 20272
189: ok 20273
189: ok 20274
189: ok 20275
189: ok 20276
189: ok 20277
189: ok 20278
189: ok 20279
189: ok 20280
189: ok 20281
189: ok 20282
189: ok 20283
189: ok 20284
189: ok 20285
189: ok 20286
189: ok 20287
189: ok 20288
189: ok 20289
189: ok 20290
189: ok 20291
189: ok 20292
189: ok 20293
189: ok 20294
189: ok 20295
189: ok 20296
189: ok 20297
189: ok 20298
189: ok 20299
189: ok 20300
189: ok 20301
189: ok 20302
189: ok 20303
189: ok 20304
189: ok 20305
189: ok 20306
189: ok 20307
189: ok 20308
189: ok 20309
189: ok 20310
189: ok 20311
189: ok 20312
189: ok 20313
189: ok 20314
189: ok 20315
189: ok 20316
189: ok 20317
189: ok 20318
189: ok 20319
189: ok 20320
189: ok 20321
189: ok 20322
189: ok 20323
189: ok 20324
189: ok 20325
189: ok 20326
189: ok 20327
189: ok 20328
189: ok 20329
189: ok 20330
189: ok 20331
189: ok 20332
189: ok 20333
189: ok 20334
189: ok 20335
189: ok 20336
189: ok 20337
189: ok 20338
189: ok 20339
189: ok 20340
189: ok 20341
189: ok 20342
189: ok 20343
189: ok 20344
189: ok 20345
189: ok 20346
189: ok 20347
189: ok 20348
189: ok 20349
189: ok 20350
189: ok 20351
189: ok 20352
189: ok 20353
189: ok 20354
189: ok 20355
189: ok 20356
189: ok 20357
189: ok 20358
189: ok 20359
189: ok 20360
189: ok 20361
189: ok 20362
189: ok 20363
189: ok 20364
189: ok 20365
189: ok 20366
189: ok 20367
189: ok 20368
189: ok 20369
189: ok 20370
189: ok 20371
189: ok 20372
189: ok 20373
189: ok 20374
189: ok 20375
189: ok 20376
189: ok 20377
189: ok 20378
189: ok 20379
189: ok 20380
189: ok 20381
189: ok 20382
189: ok 20383
189: ok 20384
189: ok 20385
189: ok 20386
189: ok 20387
189: ok 20388
189: ok 20389
189: ok 20390
189: ok 20391
189: ok 20392
189: ok 20393
189: ok 20394
189: ok 20395
189: ok 20396
189: ok 20397
189: ok 20398
189: ok 20399
189: ok 20400
189: ok 20401
189: ok 20402
189: ok 20403
189: ok 20404
189: ok 20405
189: ok 20406
189: ok 20407
189: ok 20408
189: ok 20409
189: ok 20410
189: ok 20411
189: ok 20412
189: ok 20413
189: ok 20414
189: ok 20415
189: ok 20416
189: ok 20417
189: ok 20418
189: ok 20419
189: ok 20420
189: ok 20421
189: ok 20422
189: ok 20423
189: ok 20424
189: ok 20425
189: ok 20426
189: ok 20427
189: ok 20428
189: ok 20429
189: ok 20430
189: ok 20431
189: ok 20432
189: ok 20433
189: ok 20434
189: ok 20435
189: ok 20436
189: ok 20437
189: ok 20438
189: ok 20439
189: ok 20440
189: ok 20441
189: ok 20442
189: ok 20443
189: ok 20444
189: ok 20445
189: ok 20446
189: ok 20447
189: ok 20448
189: ok 20449
189: ok 20450
189: ok 20451
189: ok 20452
189: ok 20453
189: ok 20454
189: ok 20455
189: ok 20456
189: ok 20457
189: ok 20458
189: ok 20459
189: ok 20460
189: ok 20461
189: ok 20462
189: ok 20463
189: ok 20464
189: ok 20465
189: ok 20466
189: ok 20467
189: ok 20468
189: ok 20469
189: ok 20470
189: ok 20471
189: ok 20472
189: ok 20473
189: ok 20474
189: ok 20475
189: ok 20476
189: ok 20477
189: ok 20478
189: ok 20479
189: ok 20480
189: ok 20481
189: ok 20482
189: ok 20483
189: ok 20484
189: ok 20485
189: ok 20486
189: ok 20487
189: ok 20488
189: ok 20489
189: ok 20490
189: ok 20491
189: ok 20492
189: ok 20493
189: ok 20494
189: ok 20495
189: ok 20496
189: ok 20497
189: ok 20498
189: ok 20499
189: ok 20500
189: ok 20501
189: ok 20502
189: ok 20503
189: ok 20504
189: ok 20505
189: ok 20506
189: ok 20507
189: ok 20508
189: ok 20509
189: ok 20510
189: ok 20511
189: ok 20512
189: ok 20513
189: ok 20514
189: ok 20515
189: ok 20516
189: ok 20517
189: ok 20518
189: ok 20519
189: ok 20520
189: ok 20521
189: ok 20522
189: ok 20523
189: ok 20524
189: ok 20525
189: ok 20526
189: ok 20527
189: ok 20528
189: ok 20529
189: ok 20530
189: ok 20531
189: ok 20532
189: ok 20533
189: ok 20534
189: ok 20535
189: ok 20536
189: ok 20537
189: ok 20538
189: ok 20539
189: ok 20540
189: ok 20541
189: ok 20542
189: ok 20543
189: ok 20544
189: ok 20545
189: ok 20546
189: ok 20547
189: ok 20548
189: ok 20549
189: ok 20550
189: ok 20551
189: ok 20552
189: ok 20553
189: ok 20554
189: ok 20555
189: ok 20556
189: ok 20557
189: ok 20558
189: ok 20559
189: ok 20560
189: ok 20561
189: ok 20562
189: ok 20563
189: ok 20564
189: ok 20565
189: ok 20566
189: ok 20567
189: ok 20568
189: ok 20569
189: ok 20570
189: ok 20571
189: ok 20572
189: ok 20573
189: ok 20574
189: ok 20575
189: ok 20576
189: ok 20577
189: ok 20578
189: ok 20579
189: ok 20580
189: ok 20581
189: ok 20582
189: ok 20583
189: ok 20584
189: ok 20585
189: ok 20586
189: ok 20587
189: ok 20588
189: ok 20589
189: ok 20590
189: ok 20591
189: ok 20592
189: ok 20593
189: ok 20594
189: ok 20595
189: ok 20596
189: ok 20597
189: ok 20598
189: ok 20599
189: ok 20600
189: ok 20601
189: ok 20602
189: ok 20603
189: ok 20604
189: ok 20605
189: ok 20606
189: ok 20607
189: ok 20608
189: ok 20609
189: ok 20610
189: ok 20611
189: ok 20612
189: ok 20613
189: ok 20614
189: ok 20615
189: ok 20616
189: ok 20617
189: ok 20618
189: ok 20619
189: ok 20620
189: ok 20621
189: ok 20622
189: ok 20623
189: ok 20624
189: ok 20625
189: ok 20626
189: ok 20627
189: ok 20628
189: ok 20629
189: ok 20630
189: ok 20631
189: ok 20632
189: ok 20633
189: ok 20634
189: ok 20635
189: ok 20636
189: ok 20637
189: ok 20638
189: ok 20639
189: ok 20640
189: ok 20641
189: ok 20642
189: ok 20643
189: ok 20644
189: ok 20645
189: ok 20646
189: ok 20647
189: ok 20648
189: ok 20649
189: ok 20650
189: ok 20651
189: ok 20652
189: ok 20653
189: ok 20654
189: ok 20655
189: ok 20656
189: ok 20657
189: ok 20658
189: ok 20659
189: ok 20660
189: ok 20661
189: ok 20662
189: ok 20663
189: ok 20664
189: ok 20665
189: ok 20666
189: ok 20667
189: ok 20668
189: ok 20669
189: ok 20670
189: ok 20671
189: ok 20672
189: ok 20673
189: ok 20674
189: ok 20675
189: ok 20676
189: ok 20677
189: ok 20678
189: ok 20679
189: ok 20680
189: ok 20681
189: ok 20682
189: ok 20683
189: ok 20684
189: ok 20685
189: ok 20686
189: ok 20687
189: ok 20688
189: ok 20689
189: ok 20690
189: ok 20691
189: ok 20692
189: ok 20693
189: ok 20694
189: ok 20695
189: ok 20696
189: ok 20697
189: ok 20698
189: ok 20699
189: ok 20700
189: ok 20701
189: ok 20702
189: ok 20703
189: ok 20704
189: ok 20705
189: ok 20706
189: ok 20707
189: ok 20708
189: ok 20709
189: ok 20710
189: ok 20711
189: ok 20712
189: ok 20713
189: ok 20714
189: ok 20715
189: ok 20716
189: ok 20717
189: ok 20718
189: ok 20719
189: ok 20720
189: ok 20721
189: ok 20722
189: ok 20723
189: ok 20724
189: ok 20725
189: ok 20726
189: ok 20727
189: ok 20728
189: ok 20729
189: ok 20730
189: ok 20731
189: ok 20732
189: ok 20733
189: ok 20734
189: ok 20735
189: ok 20736
189: ok 20737
189: ok 20738
189: ok 20739
189: ok 20740
189: ok 20741
189: ok 20742
189: ok 20743
189: ok 20744
189: ok 20745
189: ok 20746
189: ok 20747
189: ok 20748
189: ok 20749
189: ok 20750
189: ok 20751
189: ok 20752
189: ok 20753
189: ok 20754
189: ok 20755
189: ok 20756
189: ok 20757
189: ok 20758
189: ok 20759
189: ok 20760
189: ok 20761
189: ok 20762
189: ok 20763
189: ok 20764
189: ok 20765
189: ok 20766
189: ok 20767
189: ok 20768
189: ok 20769
189: ok 20770
189: ok 20771
189: ok 20772
189: ok 20773
189: ok 20774
189: ok 20775
189: ok 20776
189: ok 20777
189: ok 20778
189: ok 20779
189: ok 20780
189: ok 20781
189: ok 20782
189: ok 20783
189: ok 20784
189: ok 20785
189: ok 20786
189: ok 20787
189: ok 20788
189: ok 20789
189: ok 20790
189: ok 20791
189: ok 20792
189: ok 20793
189: ok 20794
189: ok 20795
189: ok 20796
189: ok 20797
189: ok 20798
189: ok 20799
189: ok 20800
189: ok 20801
189: ok 20802
189: ok 20803
189: ok 20804
189: ok 20805
189: ok 20806
189: ok 20807
189: ok 20808
189: ok 20809
189: ok 20810
189: ok 20811
189: ok 20812
189: ok 20813
189: ok 20814
189: ok 20815
189: ok 20816
189: ok 20817
189: ok 20818
189: ok 20819
189: ok 20820
189: ok 20821
189: ok 20822
189: ok 20823
189: ok 20824
189: ok 20825
189: ok 20826
189: ok 20827
189: ok 20828
189: ok 20829
189: ok 20830
189: ok 20831
189: ok 20832
189: ok 20833
189: ok 20834
189: ok 20835
189: ok 20836
189: ok 20837
189: ok 20838
189: ok 20839
189: ok 20840
189: ok 20841
189: ok 20842
189: ok 20843
189: ok 20844
189: ok 20845
189: ok 20846
189: ok 20847
189: ok 20848
189: ok 20849
189: ok 20850
189: ok 20851
189: ok 20852
189: ok 20853
189: ok 20854
189: ok 20855
189: ok 20856
189: ok 20857
189: ok 20858
189: ok 20859
189: ok 20860
189: ok 20861
189: ok 20862
189: ok 20863
189: ok 20864
189: ok 20865
189: ok 20866
189: ok 20867
189: ok 20868
189: ok 20869
189: ok 20870
189: ok 20871
189: ok 20872
189: ok 20873
189: ok 20874
189: ok 20875
189: ok 20876
189: ok 20877
189: ok 20878
189: ok 20879
189: ok 20880
189: ok 20881
189: ok 20882
189: ok 20883
189: ok 20884
189: ok 20885
189: ok 20886
189: ok 20887
189: ok 20888
189: ok 20889
189: ok 20890
189: ok 20891
189: ok 20892
189: ok 20893
189: ok 20894
189: ok 20895
189: ok 20896
189: ok 20897
189: ok 20898
189: ok 20899
189: ok 20900
189: ok 20901
189: ok 20902
189: ok 20903
189: ok 20904
189: ok 20905
189: ok 20906
189: ok 20907
189: ok 20908
189: ok 20909
189: ok 20910
189: ok 20911
189: ok 20912
189: ok 20913
189: ok 20914
189: ok 20915
189: ok 20916
189: ok 20917
189: ok 20918
189: ok 20919
189: ok 20920
189: ok 20921
189: ok 20922
189: ok 20923
189: ok 20924
189: ok 20925
189: ok 20926
189: ok 20927
189: ok 20928
189: ok 20929
189: ok 20930
189: ok 20931
189: ok 20932
189: ok 20933
189: ok 20934
189: ok 20935
189: ok 20936
189: ok 20937
189: ok 20938
189: ok 20939
189: ok 20940
189: ok 20941
189: ok 20942
189: ok 20943
189: ok 20944
189: ok 20945
189: ok 20946
189: ok 20947
189: ok 20948
189: ok 20949
189: ok 20950
189: ok 20951
189: ok 20952
189: ok 20953
189: ok 20954
189: ok 20955
189: ok 20956
189: ok 20957
189: ok 20958
189: ok 20959
189: ok 20960
189: ok 20961
189: ok 20962
189: ok 20963
189: ok 20964
189: ok 20965
189: ok 20966
189: ok 20967
189: ok 20968
189: ok 20969
189: ok 20970
189: ok 20971
189: ok 20972
189: ok 20973
189: ok 20974
189: ok 20975
189: ok 20976
189: ok 20977
189: ok 20978
189: ok 20979
189: ok 20980
189: ok 20981
189: ok 20982
189: ok 20983
189: ok 20984
189: ok 20985
189: ok 20986
189: ok 20987
189: ok 20988
189: ok 20989
189: ok 20990
189: ok 20991
189: ok 20992
189: ok 20993
189: ok 20994
189: ok 20995
189: ok 20996
189: ok 20997
189: ok 20998
189: ok 20999
189: ok 21000
189: ok 21001
189: ok 21002
189: ok 21003
189: ok 21004
189: ok 21005
189: ok 21006
189: ok 21007
189: ok 21008
189: ok 21009
189: ok 21010
189: ok 21011
189: ok 21012
189: ok 21013
189: ok 21014
189: ok 21015
189: ok 21016
189: ok 21017
189: ok 21018
189: ok 21019
189: ok 21020
189: ok 21021
189: ok 21022
189: ok 21023
189: ok 21024
189: ok 21025
189: ok 21026
189: ok 21027
189: ok 21028
189: ok 21029
189: ok 21030
189: ok 21031
189: ok 21032
189: ok 21033
189: ok 21034
189: ok 21035
189: ok 21036
189: ok 21037
189: ok 21038
189: ok 21039
189: ok 21040
189: ok 21041
189: ok 21042
189: ok 21043
189: ok 21044
189: ok 21045
189: ok 21046
189: ok 21047
189: ok 21048
189: ok 21049
189: ok 21050
189: ok 21051
189: ok 21052
189: ok 21053
189: ok 21054
189: ok 21055
189: ok 21056
189: ok 21057
189: ok 21058
189: ok 21059
189: ok 21060
189: ok 21061
189: ok 21062
189: ok 21063
189: ok 21064
189: ok 21065
189: ok 21066
189: ok 21067
189: ok 21068
189: ok 21069
189: ok 21070
189: ok 21071
189: ok 21072
189: ok 21073
189: ok 21074
189: ok 21075
189: ok 21076
189: ok 21077
189: ok 21078
189: ok 21079
189: ok 21080
189: ok 21081
189: ok 21082
189: ok 21083
189: ok 21084
189: ok 21085
189: ok 21086
189: ok 21087
189: ok 21088
189: ok 21089
189: ok 21090
189: ok 21091
189: ok 21092
189: ok 21093
189: ok 21094
189: ok 21095
189: ok 21096
189: ok 21097
189: ok 21098
189: ok 21099
189: ok 21100
189: ok 21101
189: ok 21102
189: ok 21103
189: ok 21104
189: ok 21105
189: ok 21106
189: ok 21107
189: ok 21108
189: ok 21109
189: ok 21110
189: ok 21111
189: ok 21112
189: ok 21113
189: ok 21114
189: ok 21115
189: ok 21116
189: ok 21117
189: ok 21118
189: ok 21119
189: ok 21120
189: ok 21121
189: ok 21122
189: ok 21123
189: ok 21124
189: ok 21125
189: ok 21126
189: ok 21127
189: ok 21128
189: ok 21129
189: ok 21130
189: ok 21131
189: ok 21132
189: ok 21133
189: ok 21134
189: ok 21135
189: ok 21136
189: ok 21137
189: ok 21138
189: ok 21139
189: ok 21140
189: ok 21141
189: ok 21142
189: ok 21143
189: ok 21144
189: ok 21145
189: ok 21146
189: ok 21147
189: ok 21148
189: ok 21149
189: ok 21150
189: ok 21151
189: ok 21152
189: ok 21153
189: ok 21154
189: ok 21155
189: ok 21156
189: ok 21157
189: ok 21158
189: ok 21159
189: ok 21160
189: ok 21161
189: ok 21162
189: ok 21163
189: ok 21164
189: ok 21165
189: ok 21166
189: ok 21167
189: ok 21168
189: ok 21169
189: ok 21170
189: ok 21171
189: ok 21172
189: ok 21173
189: ok 21174
189: ok 21175
189: ok 21176
189: ok 21177
189: ok 21178
189: ok 21179
189: ok 21180
189: ok 21181
189: ok 21182
189: ok 21183
189: ok 21184
189: ok 21185
189: ok 21186
189: ok 21187
189: ok 21188
189: ok 21189
189: ok 21190
189: ok 21191
189: ok 21192
189: ok 21193
189: ok 21194
189: ok 21195
189: ok 21196
189: ok 21197
189: ok 21198
189: ok 21199
189: ok 21200
189: ok 21201
189: ok 21202
189: ok 21203
189: ok 21204
189: ok 21205
189: ok 21206
189: ok 21207
189: ok 21208
189: ok 21209
189: ok 21210
189: ok 21211
189: ok 21212
189: ok 21213
189: ok 21214
189: ok 21215
189: ok 21216
189: ok 21217
189: ok 21218
189: ok 21219
189: ok 21220
189: ok 21221
189: ok 21222
189: ok 21223
189: ok 21224
189: ok 21225
189: ok 21226
189: ok 21227
189: ok 21228
189: ok 21229
189: ok 21230
189: ok 21231
189: ok 21232
189: ok 21233
189: ok 21234
189: ok 21235
189: ok 21236
189: ok 21237
189: ok 21238
189: ok 21239
189: ok 21240
189: ok 21241
189: ok 21242
189: ok 21243
189: ok 21244
189: ok 21245
189: ok 21246
189: ok 21247
189: ok 21248
189: ok 21249
189: ok 21250
189: ok 21251
189: ok 21252
189: ok 21253
189: ok 21254
189: ok 21255
189: ok 21256
189: ok 21257
189: ok 21258
189: ok 21259
189: ok 21260
189: ok 21261
189: ok 21262
189: ok 21263
189: ok 21264
189: ok 21265
189: ok 21266
189: ok 21267
189: ok 21268
189: ok 21269
189: ok 21270
189: ok 21271
189: ok 21272
189: ok 21273
189: ok 21274
189: ok 21275
189: ok 21276
189: ok 21277
189: ok 21278
189: ok 21279
189: ok 21280
189: ok 21281
189: ok 21282
189: ok 21283
189: ok 21284
189: ok 21285
189: ok 21286
189: ok 21287
189: ok 21288
189: ok 21289
189: ok 21290
189: ok 21291
189: ok 21292
189: ok 21293
189: ok 21294
189: ok 21295
189: ok 21296
189: ok 21297
189: ok 21298
189: ok 21299
189: ok 21300
189: ok 21301
189: ok 21302
189: ok 21303
189: ok 21304
189: ok 21305
189: ok 21306
189: ok 21307
189: ok 21308
189: ok 21309
189: ok 21310
189: ok 21311
189: ok 21312
189: ok 21313
189: ok 21314
189: ok 21315
189: ok 21316
189: ok 21317
189: ok 21318
189: ok 21319
189: ok 21320
189: ok 21321
189: ok 21322
189: ok 21323
189: ok 21324
189: ok 21325
189: ok 21326
189: ok 21327
189: ok 21328
189: ok 21329
189: ok 21330
189: ok 21331
189: ok 21332
189: ok 21333
189: ok 21334
189: ok 21335
189: ok 21336
189: ok 21337
189: ok 21338
189: ok 21339
189: ok 21340
189: ok 21341
189: ok 21342
189: ok 21343
189: ok 21344
189: ok 21345
189: ok 21346
189: ok 21347
189: ok 21348
189: ok 21349
189: ok 21350
189: ok 21351
189: ok 21352
189: ok 21353
189: ok 21354
189: ok 21355
189: ok 21356
189: ok 21357
189: ok 21358
189: ok 21359
189: ok 21360
189: ok 21361
189: ok 21362
189: ok 21363
189: ok 21364
189: ok 21365
189: ok 21366
189: ok 21367
189: ok 21368
189: ok 21369
189: ok 21370
189: ok 21371
189: ok 21372
189: ok 21373
189: ok 21374
189: ok 21375
189: ok 21376
189: ok 21377
189: ok 21378
189: ok 21379
189: ok 21380
189: ok 21381
189: ok 21382
189: ok 21383
189: ok 21384
189: ok 21385
189: ok 21386
189: ok 21387
189: ok 21388
189: ok 21389
189: ok 21390
189: ok 21391
189: ok 21392
189: ok 21393
189: ok 21394
189: ok 21395
189: ok 21396
189: ok 21397
189: ok 21398
189: ok 21399
189: ok 21400
189: ok 21401
189: ok 21402
189: ok 21403
189: ok 21404
189: ok 21405
189: ok 21406
189: ok 21407
189: ok 21408
189: ok 21409
189: ok 21410
189: ok 21411
189: ok 21412
189: ok 21413
189: ok 21414
189: ok 21415
189: ok 21416
189: ok 21417
189: ok 21418
189: ok 21419
189: ok 21420
189: ok 21421
189: ok 21422
189: ok 21423
189: ok 21424
189: ok 21425
189: ok 21426
189: ok 21427
189: ok 21428
189: ok 21429
189: ok 21430
189: ok 21431
189: ok 21432
189: ok 21433
189: ok 21434
189: ok 21435
189: ok 21436
189: ok 21437
189: ok 21438
189: ok 21439
189: ok 21440
189: ok 21441
189: ok 21442
189: ok 21443
189: ok 21444
189: ok 21445
189: ok 21446
189: ok 21447
189: ok 21448
189: ok 21449
189: ok 21450
189: ok 21451
189: ok 21452
189: ok 21453
189: ok 21454
189: ok 21455
189: ok 21456
189: ok 21457
189: ok 21458
189: ok 21459
189: ok 21460
189: ok 21461
189: ok 21462
189: ok 21463
189: ok 21464
189: ok 21465
189: ok 21466
189: ok 21467
189: ok 21468
189: ok 21469
189: ok 21470
189: ok 21471
189: ok 21472
189: ok 21473
189: ok 21474
189: ok 21475
189: ok 21476
189: ok 21477
189: ok 21478
189: ok 21479
189: ok 21480
189: ok 21481
189: ok 21482
189: ok 21483
189: ok 21484
189: ok 21485
189: ok 21486
189: ok 21487
189: ok 21488
189: ok 21489
189: ok 21490
189: ok 21491
189: ok 21492
189: ok 21493
189: ok 21494
189: ok 21495
189: ok 21496
189: ok 21497
189: ok 21498
189: ok 21499
189: ok 21500
189: ok 21501
189: ok 21502
189: ok 21503
189: ok 21504
189: ok 21505
189: ok 21506
189: ok 21507
189: ok 21508
189: ok 21509
189: ok 21510
189: ok 21511
189: ok 21512
189: ok 21513
189: ok 21514
189: ok 21515
189: ok 21516
189: ok 21517
189: ok 21518
189: ok 21519
189: ok 21520
189: ok 21521
189: ok 21522
189: ok 21523
189: ok 21524
189: ok 21525
189: ok 21526
189: ok 21527
189: ok 21528
189: ok 21529
189: ok 21530
189: ok 21531
189: ok 21532
189: ok 21533
189: ok 21534
189: ok 21535
189: ok 21536
189: ok 21537
189: ok 21538
189: ok 21539
189: ok 21540
189: ok 21541
189: ok 21542
189: ok 21543
189: ok 21544
189: ok 21545
189: ok 21546
189: ok 21547
189: ok 21548
189: ok 21549
189: ok 21550
189: ok 21551
189: ok 21552
189: ok 21553
189: ok 21554
189: ok 21555
189: ok 21556
189: ok 21557
189: ok 21558
189: ok 21559
189: ok 21560
189: ok 21561
189: ok 21562
189: ok 21563
189: ok 21564
189: ok 21565
189: ok 21566
189: ok 21567
189: ok 21568
189: ok 21569
189: ok 21570
189: ok 21571
189: ok 21572
189: ok 21573
189: ok 21574
189: ok 21575
189: ok 21576
189: ok 21577
189: ok 21578
189: ok 21579
189: ok 21580
189: ok 21581
189: ok 21582
189: ok 21583
189: ok 21584
189: ok 21585
189: ok 21586
189: ok 21587
189: ok 21588
189: ok 21589
189: ok 21590
189: ok 21591
189: ok 21592
189: ok 21593
189: ok 21594
189: ok 21595
189: ok 21596
189: ok 21597
189: ok 21598
189: ok 21599
189: ok 21600
189: ok 21601
189: ok 21602
189: ok 21603
189: ok 21604
189: ok 21605
189: ok 21606
189: ok 21607
189: ok 21608
189: ok 21609
189: ok 21610
189: ok 21611
189: ok 21612
189: ok 21613
189: ok 21614
189: ok 21615
189: ok 21616
189: ok 21617
189: ok 21618
189: ok 21619
189: ok 21620
189: ok 21621
189: ok 21622
189: ok 21623
189: ok 21624
189: ok 21625
189: ok 21626
189: ok 21627
189: ok 21628
189: ok 21629
189: ok 21630
189: ok 21631
189: ok 21632
189: ok 21633
189: ok 21634
189: ok 21635
189: ok 21636
189: ok 21637
189: ok 21638
189: ok 21639
189: ok 21640
189: ok 21641
189: ok 21642
189: ok 21643
189: ok 21644
189: ok 21645
189: ok 21646
189: ok 21647
189: ok 21648
189: ok 21649
189: ok 21650
189: ok 21651
189: ok 21652
189: ok 21653
189: ok 21654
189: ok 21655
189: ok 21656
189: ok 21657
189: ok 21658
189: ok 21659
189: ok 21660
189: ok 21661
189: ok 21662
189: ok 21663
189: ok 21664
189: ok 21665
189: ok 21666
189: ok 21667
189: ok 21668
189: ok 21669
189: ok 21670
189: ok 21671
189: ok 21672
189: ok 21673
189: ok 21674
189: ok 21675
189: ok 21676
189: ok 21677
189: ok 21678
189: ok 21679
189: ok 21680
189: ok 21681
189: ok 21682
189: ok 21683
189: ok 21684
189: ok 21685
189: ok 21686
189: ok 21687
189: ok 21688
189: ok 21689
189: ok 21690
189: ok 21691
189: ok 21692
189: ok 21693
189: ok 21694
189: ok 21695
189: ok 21696
189: ok 21697
189: ok 21698
189: ok 21699
189: ok 21700
189: ok 21701
189: ok 21702
189: ok 21703
189: ok 21704
189: ok 21705
189: ok 21706
189: ok 21707
189: ok 21708
189: ok 21709
189: ok 21710
189: ok 21711
189: ok 21712
189: ok 21713
189: ok 21714
189: ok 21715
189: ok 21716
189: ok 21717
189: ok 21718
189: ok 21719
189: ok 21720
189: ok 21721
189: ok 21722
189: ok 21723
189: ok 21724
189: ok 21725
189: ok 21726
189: ok 21727
189: ok 21728
189: ok 21729
189: ok 21730
189: ok 21731
189: ok 21732
189: ok 21733
189: ok 21734
189: ok 21735
189: ok 21736
189: ok 21737
189: ok 21738
189: ok 21739
189: ok 21740
189: ok 21741
189: ok 21742
189: ok 21743
189: ok 21744
189: ok 21745
189: ok 21746
189: ok 21747
189: ok 21748
189: ok 21749
189: ok 21750
189: ok 21751
189: ok 21752
189: ok 21753
189: ok 21754
189: ok 21755
189: ok 21756
189: ok 21757
189: ok 21758
189: ok 21759
189: ok 21760
189: ok 21761
189: ok 21762
189: ok 21763
189: ok 21764
189: ok 21765
189: ok 21766
189: ok 21767
189: ok 21768
189: ok 21769
189: ok 21770
189: ok 21771
189: ok 21772
189: ok 21773
189: ok 21774
189: ok 21775
189: ok 21776
189: ok 21777
189: ok 21778
189: ok 21779
189: ok 21780
189: ok 21781
189: ok 21782
189: ok 21783
189: ok 21784
189: ok 21785
189: ok 21786
189: ok 21787
189: ok 21788
189: ok 21789
189: ok 21790
189: ok 21791
189: ok 21792
189: ok 21793
189: ok 21794
189: ok 21795
189: ok 21796
189: ok 21797
189: ok 21798
189: ok 21799
189: ok 21800
189: ok 21801
189: ok 21802
189: ok 21803
189: ok 21804
189: ok 21805
189: ok 21806
189: ok 21807
189: ok 21808
189: ok 21809
189: ok 21810
189: ok 21811
189: ok 21812
189: ok 21813
189: ok 21814
189: ok 21815
189: ok 21816
189: ok 21817
189: ok 21818
189: ok 21819
189: ok 21820
189: ok 21821
189: ok 21822
189: ok 21823
189: ok 21824
189: ok 21825
189: ok 21826
189: ok 21827
189: ok 21828
189: ok 21829
189: ok 21830
189: ok 21831
189: ok 21832
189: ok 21833
189: ok 21834
189: ok 21835
189: ok 21836
189: ok 21837
189: ok 21838
189: ok 21839
189: ok 21840
189: ok 21841
189: ok 21842
189: ok 21843
189: ok 21844
189: ok 21845
189: ok 21846
189: ok 21847
189: ok 21848
189: ok 21849
189: ok 21850
189: ok 21851
189: ok 21852
189: ok 21853
189: ok 21854
189: ok 21855
189: ok 21856
189: ok 21857
189: ok 21858
189: ok 21859
189: ok 21860
189: ok 21861
189: ok 21862
189: ok 21863
189: ok 21864
189: ok 21865
189: ok 21866
189: ok 21867
189: ok 21868
189: ok 21869
189: ok 21870
189: ok 21871
189: ok 21872
189: ok 21873
189: ok 21874
189: ok 21875
189: ok 21876
189: ok 21877
189: ok 21878
189: ok 21879
189: ok 21880
189: ok 21881
189: ok 21882
189: ok 21883
189: ok 21884
189: ok 21885
189: ok 21886
189: ok 21887
189: ok 21888
189: ok 21889
189: ok 21890
189: ok 21891
189: ok 21892
189: ok 21893
189: ok 21894
189: ok 21895
189: ok 21896
189: ok 21897
189: ok 21898
189: ok 21899
189: ok 21900
189: ok 21901
189: ok 21902
189: ok 21903
189: ok 21904
189: ok 21905
189: ok 21906
189: ok 21907
189: ok 21908
189: ok 21909
189: ok 21910
189: ok 21911
189: ok 21912
189: ok 21913
189: ok 21914
189: ok 21915
189: ok 21916
189: ok 21917
189: ok 21918
189: ok 21919
189: ok 21920
189: ok 21921
189: ok 21922
189: ok 21923
189: ok 21924
189: ok 21925
189: ok 21926
189: ok 21927
189: ok 21928
189: ok 21929
189: ok 21930
189: ok 21931
189: ok 21932
189: ok 21933
189: ok 21934
189: ok 21935
189: ok 21936
189: ok 21937
189: ok 21938
189: ok 21939
189: ok 21940
189: ok 21941
189: ok 21942
189: ok 21943
189: ok 21944
189: ok 21945
189: ok 21946
189: ok 21947
189: ok 21948
189: ok 21949
189: ok 21950
189: ok 21951
189: ok 21952
189: ok 21953
189: ok 21954
189: ok 21955
189: ok 21956
189: ok 21957
189: ok 21958
189: ok 21959
189: ok 21960
189: ok 21961
189: ok 21962
189: ok 21963
189: ok 21964
189: ok 21965
189: ok 21966
189: ok 21967
189: ok 21968
189: ok 21969
189: ok 21970
189: ok 21971
189: ok 21972
189: ok 21973
189: ok 21974
189: ok 21975
189: ok 21976
189: ok 21977
189: ok 21978
189: ok 21979
189: ok 21980
189: ok 21981
189: ok 21982
189: ok 21983
189: ok 21984
189: ok 21985
189: ok 21986
189: ok 21987
189: ok 21988
189: ok 21989
189: ok 21990
189: ok 21991
189: ok 21992
189: ok 21993
189: ok 21994
189: ok 21995
189: ok 21996
189: ok 21997
189: ok 21998
189: ok 21999
189: ok 22000
189: ok 22001
189: ok 22002
189: ok 22003
189: ok 22004
189: ok 22005
189: ok 22006
189: ok 22007
189: ok 22008
189: ok 22009
189: ok 22010
189: ok 22011
189: ok 22012
189: ok 22013
189: ok 22014
189: ok 22015
189: ok 22016
189: ok 22017
189: ok 22018
189: ok 22019
189: ok 22020
189: ok 22021
189: ok 22022
189: ok 22023
189: ok 22024
189: ok 22025
189: ok 22026
189: ok 22027
189: ok 22028
189: ok 22029
189: ok 22030
189: ok 22031
189: ok 22032
189: ok 22033
189: ok 22034
189: ok 22035
189: ok 22036
189: ok 22037
189: ok 22038
189: ok 22039
189: ok 22040
189: ok 22041
189: ok 22042
189: ok 22043
189: ok 22044
189: ok 22045
189: ok 22046
189: ok 22047
189: ok 22048
189: ok 22049
189: ok 22050
189: ok 22051
189: ok 22052
189: ok 22053
189: ok 22054
189: ok 22055
189: ok 22056
189: ok 22057
189: ok 22058
189: ok 22059
189: ok 22060
189: ok 22061
189: ok 22062
189: ok 22063
189: ok 22064
189: ok 22065
189: ok 22066
189: ok 22067
189: ok 22068
189: ok 22069
189: ok 22070
189: ok 22071
189: ok 22072
189: ok 22073
189: ok 22074
189: ok 22075
189: ok 22076
189: ok 22077
189: ok 22078
189: ok 22079
189: ok 22080
189: ok 22081
189: ok 22082
189: ok 22083
189: ok 22084
189: ok 22085
189: ok 22086
189: ok 22087
189: ok 22088
189: ok 22089
189: ok 22090
189: ok 22091
189: ok 22092
189: ok 22093
189: ok 22094
189: ok 22095
189: ok 22096
189: ok 22097
189: ok 22098
189: ok 22099
189: ok 22100
189: ok 22101
189: ok 22102
189: ok 22103
189: ok 22104
189: ok 22105
189: ok 22106
189: ok 22107
189: ok 22108
189: ok 22109
189: ok 22110
189: ok 22111
189: ok 22112
189: ok 22113
189: ok 22114
189: ok 22115
189: ok 22116
189: ok 22117
189: ok 22118
189: ok 22119
189: ok 22120
189: ok 22121
189: ok 22122
189: ok 22123
189: ok 22124
189: ok 22125
189: ok 22126
189: ok 22127
189: ok 22128
189: ok 22129
189: ok 22130
189: ok 22131
189: ok 22132
189: ok 22133
189: ok 22134
189: ok 22135
189: ok 22136
189: ok 22137
189: ok 22138
189: ok 22139
189: ok 22140
189: ok 22141
189: ok 22142
189: ok 22143
189: ok 22144
189: ok 22145
189: ok 22146
189: ok 22147
189: ok 22148
189: ok 22149
189: ok 22150
189: ok 22151
189: ok 22152
189: ok 22153
189: ok 22154
189: ok 22155
189: ok 22156
189: ok 22157
189: ok 22158
189: ok 22159
189: ok 22160
189: ok 22161
189: ok 22162
189: ok 22163
189: ok 22164
189: ok 22165
189: ok 22166
189: ok 22167
189: ok 22168
189: ok 22169
189: ok 22170
189: ok 22171
189: ok 22172
189: ok 22173
189: ok 22174
189: ok 22175
189: ok 22176
189: ok 22177
189: ok 22178
189: ok 22179
189: ok 22180
189: ok 22181
189: ok 22182
189: ok 22183
189: ok 22184
189: ok 22185
189: ok 22186
189: ok 22187
189: ok 22188
189: ok 22189
189: ok 22190
189: ok 22191
189: ok 22192
189: ok 22193
189: ok 22194
189: ok 22195
189: ok 22196
189: ok 22197
189: ok 22198
189: ok 22199
189: ok 22200
189: ok 22201
189: ok 22202
189: ok 22203
189: ok 22204
189: ok 22205
189: ok 22206
189: ok 22207
189: ok 22208
189: ok 22209
189: ok 22210
189: ok 22211
189: ok 22212
189: ok 22213
189: ok 22214
189: ok 22215
189: ok 22216
189: ok 22217
189: ok 22218
189: ok 22219
189: ok 22220
189: ok 22221
189: ok 22222
189: ok 22223
189: ok 22224
189: ok 22225
189: ok 22226
189: ok 22227
189: ok 22228
189: ok 22229
189: ok 22230
189: ok 22231
189: ok 22232
189: ok 22233
189: ok 22234
189: ok 22235
189: ok 22236
189: ok 22237
189: ok 22238
189: ok 22239
189: ok 22240
189: ok 22241
189: ok 22242
189: ok 22243
189: ok 22244
189: ok 22245
189: ok 22246
189: ok 22247
189: ok 22248
189: ok 22249
189: ok 22250
189: ok 22251
189: ok 22252
189: ok 22253
189: ok 22254
189: ok 22255
189: ok 22256
189: ok 22257
189: ok 22258
189: ok 22259
189: ok 22260
189: ok 22261
189: ok 22262
189: ok 22263
189: ok 22264
189: ok 22265
189: ok 22266
189: ok 22267
189: ok 22268
189: ok 22269
189: ok 22270
189: ok 22271
189: ok 22272
189: ok 22273
189: ok 22274
189: ok 22275
189: ok 22276
189: ok 22277
189: ok 22278
189: ok 22279
189: ok 22280
189: ok 22281
189: ok 22282
189: ok 22283
189: ok 22284
189: ok 22285
189: ok 22286
189: ok 22287
189: ok 22288
189: ok 22289
189: ok 22290
189: ok 22291
189: ok 22292
189: ok 22293
189: ok 22294
189: ok 22295
189: ok 22296
189: ok 22297
189: ok 22298
189: ok 22299
189: ok 22300
189: ok 22301
189: ok 22302
189: ok 22303
189: ok 22304
189: ok 22305
189: ok 22306
189: ok 22307
189: ok 22308
189: ok 22309
189: ok 22310
189: ok 22311
189: ok 22312
189: ok 22313
189: ok 22314
189: ok 22315
189: ok 22316
189: ok 22317
189: ok 22318
189: ok 22319
189: ok 22320
189: ok 22321
189: ok 22322
189: ok 22323
189: ok 22324
189: ok 22325
189: ok 22326
189: ok 22327
189: ok 22328
189: ok 22329
189: ok 22330
189: ok 22331
189: ok 22332
189: ok 22333
189: ok 22334
189: ok 22335
189: ok 22336
189: ok 22337
189: ok 22338
189: ok 22339
189: ok 22340
189: ok 22341
189: ok 22342
189: ok 22343
189: ok 22344
189: ok 22345
189: ok 22346
189: ok 22347
189: ok 22348
189: ok 22349
189: ok 22350
189: ok 22351
189: ok 22352
189: ok 22353
189: ok 22354
189: ok 22355
189: ok 22356
189: ok 22357
189: ok 22358
189: ok 22359
189: ok 22360
189: ok 22361
189: ok 22362
189: ok 22363
189: ok 22364
189: ok 22365
189: ok 22366
189: ok 22367
189: ok 22368
189: ok 22369
189: ok 22370
189: ok 22371
189: ok 22372
189: ok 22373
189: ok 22374
189: ok 22375
189: ok 22376
189: ok 22377
189: ok 22378
189: ok 22379
189: ok 22380
189: ok 22381
189: ok 22382
189: ok 22383
189: ok 22384
189: ok 22385
189: ok 22386
189: ok 22387
189: ok 22388
189: ok 22389
189: ok 22390
189: ok 22391
189: ok 22392
189: ok 22393
189: ok 22394
189: ok 22395
189: ok 22396
189: ok 22397
189: ok 22398
189: ok 22399
189: ok 22400
189: ok 22401
189: ok 22402
189: ok 22403
189: ok 22404
189: ok 22405
189: ok 22406
189: ok 22407
189: ok 22408
189: ok 22409
189: ok 22410
189: ok 22411
189: ok 22412
189: ok 22413
189: ok 22414
189: ok 22415
189: ok 22416
189: ok 22417
189: ok 22418
189: ok 22419
189: ok 22420
189: ok 22421
189: ok 22422
189: ok 22423
189: ok 22424
189: ok 22425
189: ok 22426
189: ok 22427
189: ok 22428
189: ok 22429
189: ok 22430
189: ok 22431
189: ok 22432
189: ok 22433
189: ok 22434
189: ok 22435
189: ok 22436
189: ok 22437
189: ok 22438
189: ok 22439
189: ok 22440
189: ok 22441
189: ok 22442
189: ok 22443
189: ok 22444
189: ok 22445
189: ok 22446
189: ok 22447
189: ok 22448
189: ok 22449
189: ok 22450
189: ok 22451
189: ok 22452
189: ok 22453
189: ok 22454
189: ok 22455
189: ok 22456
189: ok 22457
189: ok 22458
189: ok 22459
189: ok 22460
189: ok 22461
189: ok 22462
189: ok 22463
189: ok 22464
189: ok 22465
189: ok 22466
189: ok 22467
189: ok 22468
189: ok 22469
189: ok 22470
189: ok 22471
189: ok 22472
189: ok 22473
189: ok 22474
189: ok 22475
189: ok 22476
189: ok 22477
189: ok 22478
189: ok 22479
189: ok 22480
189: ok 22481
189: ok 22482
189: ok 22483
189: ok 22484
189: ok 22485
189: ok 22486
189: ok 22487
189: ok 22488
189: ok 22489
189: ok 22490
189: ok 22491
189: ok 22492
189: ok 22493
189: ok 22494
189: ok 22495
189: ok 22496
189: ok 22497
189: ok 22498
189: ok 22499
189: ok 22500
189: ok 22501
189: ok 22502
189: ok 22503
189: ok 22504
189: ok 22505
189: ok 22506
189: ok 22507
189: ok 22508
189: ok 22509
189: ok 22510
189: ok 22511
189: ok 22512
189: ok 22513
189: ok 22514
189: ok 22515
189: ok 22516
189: ok 22517
189: ok 22518
189: ok 22519
189: ok 22520
189: ok 22521
189: ok 22522
189: ok 22523
189: ok 22524
189: ok 22525
189: ok 22526
189: ok 22527
189: ok 22528
189: ok 22529
189: ok 22530
189: ok 22531
189: ok 22532
189: ok 22533
189: ok 22534
189: ok 22535
189: ok 22536
189: ok 22537
189: ok 22538
189: ok 22539
189: ok 22540
189: ok 22541
189: ok 22542
189: ok 22543
189: ok 22544
189: ok 22545
189: ok 22546
189: ok 22547
189: ok 22548
189: ok 22549
189: ok 22550
189: ok 22551
189: ok 22552
189: ok 22553
189: ok 22554
189: ok 22555
189: ok 22556
189: ok 22557
189: ok 22558
189: ok 22559
189: ok 22560
189: ok 22561
189: ok 22562
189: ok 22563
189: ok 22564
189: ok 22565
189: ok 22566
189: ok 22567
189: ok 22568
189: ok 22569
189: ok 22570
189: ok 22571
189: ok 22572
189: ok 22573
189: ok 22574
189: ok 22575
189: ok 22576
189: ok 22577
189: ok 22578
189: ok 22579
189: ok 22580
189: ok 22581
189: ok 22582
189: ok 22583
189: ok 22584
189: ok 22585
189: ok 22586
189: ok 22587
189: ok 22588
189: ok 22589
189: ok 22590
189: ok 22591
189: ok 22592
189: ok 22593
189: ok 22594
189: ok 22595
189: ok 22596
189: ok 22597
189: ok 22598
189: ok 22599
189: ok 22600
189: ok 22601
189: ok 22602
189: ok 22603
189: ok 22604
189: ok 22605
189: ok 22606
189: ok 22607
189: ok 22608
189: ok 22609
189: ok 22610
189: ok 22611
189: ok 22612
189: ok 22613
189: ok 22614
189: ok 22615
189: ok 22616
189: ok 22617
189: ok 22618
189: ok 22619
189: ok 22620
189: ok 22621
189: ok 22622
189: ok 22623
189: ok 22624
189: ok 22625
189: ok 22626
189: ok 22627
189: ok 22628
189: ok 22629
189: ok 22630
189: ok 22631
189: ok 22632
189: ok 22633
189: ok 22634
189: ok 22635
189: ok 22636
189: ok 22637
189: ok 22638
189: ok 22639
189: ok 22640
189: ok 22641
189: ok 22642
189: ok 22643
189: ok 22644
189: ok 22645
189: ok 22646
189: ok 22647
189: ok 22648
189: ok 22649
189: ok 22650
189: ok 22651
189: ok 22652
189: ok 22653
189: ok 22654
189: ok 22655
189: ok 22656
189: ok 22657
189: ok 22658
189: ok 22659
189: ok 22660
189: ok 22661
189: ok 22662
189: ok 22663
189: ok 22664
189: ok 22665
189: ok 22666
189: ok 22667
189: ok 22668
189: ok 22669
189: ok 22670
189: ok 22671
189: ok 22672
189: ok 22673
189: ok 22674
189: ok 22675
189: ok 22676
189: ok 22677
189: ok 22678
189: ok 22679
189: ok 22680
189: ok 22681
189: ok 22682
189: ok 22683
189: ok 22684
189: ok 22685
189: ok 22686
189: ok 22687
189: ok 22688
189: ok 22689
189: ok 22690
189: ok 22691
189: ok 22692
189: ok 22693
189: ok 22694
189: ok 22695
189: ok 22696
189: ok 22697
189: ok 22698
189: ok 22699
189: ok 22700
189: ok 22701
189: ok 22702
189: ok 22703
189: ok 22704
189: ok 22705
189: ok 22706
189: ok 22707
189: ok 22708
189: ok 22709
189: ok 22710
189: ok 22711
189: ok 22712
189: ok 22713
189: ok 22714
189: ok 22715
189: ok 22716
189: ok 22717
189: ok 22718
189: ok 22719
189: ok 22720
189: ok 22721
189: ok 22722
189: ok 22723
189: ok 22724
189: ok 22725
189: ok 22726
189: ok 22727
189: ok 22728
189: ok 22729
189: ok 22730
189: ok 22731
189: ok 22732
189: ok 22733
189: ok 22734
189: ok 22735
189: ok 22736
189: ok 22737
189: ok 22738
189: ok 22739
189: ok 22740
189: ok 22741
189: ok 22742
189: ok 22743
189: ok 22744
189: ok 22745
189: ok 22746
189: ok 22747
189: ok 22748
189: ok 22749
189: ok 22750
189: ok 22751
189: ok 22752
189: ok 22753
189: ok 22754
189: ok 22755
189: ok 22756
189: ok 22757
189: ok 22758
189: ok 22759
189: ok 22760
189: ok 22761
189: ok 22762
189: ok 22763
189: ok 22764
189: ok 22765
189: ok 22766
189: ok 22767
189: ok 22768
189: ok 22769
189: ok 22770
189: ok 22771
189: ok 22772
189: ok 22773
189: ok 22774
189: ok 22775
189: ok 22776
189: ok 22777
189: ok 22778
189: ok 22779
189: ok 22780
189: ok 22781
189: ok 22782
189: ok 22783
189: ok 22784
189: ok 22785
189: ok 22786
189: ok 22787
189: ok 22788
189: ok 22789
189: ok 22790
189: ok 22791
189: ok 22792
189: ok 22793
189: ok 22794
189: ok 22795
189: ok 22796
189: ok 22797
189: ok 22798
189: ok 22799
189: ok 22800
189: ok 22801
189: ok 22802
189: ok 22803
189: ok 22804
189: ok 22805
189: ok 22806
189: ok 22807
189: ok 22808
189: ok 22809
189: ok 22810
189: ok 22811
189: ok 22812
189: ok 22813
189: ok 22814
189: ok 22815
189: ok 22816
189: ok 22817
189: ok 22818
189: ok 22819
189: ok 22820
189: ok 22821
189: ok 22822
189: ok 22823
189: ok 22824
189: ok 22825
189: ok 22826
189: ok 22827
189: ok 22828
189: ok 22829
189: ok 22830
189: ok 22831
189: ok 22832
189: ok 22833
189: ok 22834
189: ok 22835
189: ok 22836
189: ok 22837
189: ok 22838
189: ok 22839
189: ok 22840
189: ok 22841
189: ok 22842
189: ok 22843
189: ok 22844
189: ok 22845
189: ok 22846
189: ok 22847
189: ok 22848
189: ok 22849
189: ok 22850
189: ok 22851
189: ok 22852
189: ok 22853
189: ok 22854
189: ok 22855
189: ok 22856
189: ok 22857
189: ok 22858
189: ok 22859
189: ok 22860
189: ok 22861
189: ok 22862
189: ok 22863
189: ok 22864
189: ok 22865
189: ok 22866
189: ok 22867
189: ok 22868
189: ok 22869
189: ok 22870
189: ok 22871
189: ok 22872
189: ok 22873
189: ok 22874
189: ok 22875
189: ok 22876
189: ok 22877
189: ok 22878
189: ok 22879
189: ok 22880
189: ok 22881
189: ok 22882
189: ok 22883
189: ok 22884
189: ok 22885
189: ok 22886
189: ok 22887
189: ok 22888
189: ok 22889
189: ok 22890
189: ok 22891
189: ok 22892
189: ok 22893
189: ok 22894
189: ok 22895
189: ok 22896
189: ok 22897
189: ok 22898
189: ok 22899
189: ok 22900
189: ok 22901
189: ok 22902
189: ok 22903
189: ok 22904
189: ok 22905
189: ok 22906
189: ok 22907
189: ok 22908
189: ok 22909
189: ok 22910
189: ok 22911
189: ok 22912
189: ok 22913
189: ok 22914
189: ok 22915
189: ok 22916
189: ok 22917
189: ok 22918
189: ok 22919
189: ok 22920
189: ok 22921
189: ok 22922
189: ok 22923
189: ok 22924
189: ok 22925
189: ok 22926
189: ok 22927
189: ok 22928
189: ok 22929
189: ok 22930
189: ok 22931
189: ok 22932
189: ok 22933
189: ok 22934
189: ok 22935
189: ok 22936
189: ok 22937
189: ok 22938
189: ok 22939
189: ok 22940
189: ok 22941
189: ok 22942
189: ok 22943
189: ok 22944
189: ok 22945
189: ok 22946
189: ok 22947
189: ok 22948
189: ok 22949
189: ok 22950
189: ok 22951
189: ok 22952
189: ok 22953
189: ok 22954
189: ok 22955
189: ok 22956
189: ok 22957
189: ok 22958
189: ok 22959
189: ok 22960
189: ok 22961
189: ok 22962
189: ok 22963
189: ok 22964
189: ok 22965
189: ok 22966
189: ok 22967
189: ok 22968
189: ok 22969
189: ok 22970
189: ok 22971
189: ok 22972
189: ok 22973
189: ok 22974
189: ok 22975
189: ok 22976
189: ok 22977
189: ok 22978
189: ok 22979
189: ok 22980
189: ok 22981
189: ok 22982
189: ok 22983
189: ok 22984
189: ok 22985
189: ok 22986
189: ok 22987
189: ok 22988
189: ok 22989
189: ok 22990
189: ok 22991
189: ok 22992
189: ok 22993
189: ok 22994
189: ok 22995
189: ok 22996
189: ok 22997
189: ok 22998
189: ok 22999
189: ok 23000
189: # math: passed testDistancesAnglesOrthogonality
189: 1..23000
189: # math: all tests are successful
190/219 Test #191: test_math_4 ......................   Passed  120.81 sec
199: ok 1966 # ring membership passed
199: ok 1967 # correct SSSR count
199: ok 1968 # ring membership passed
199: ok 1969 # correct SSSR count
199: ok 1970 # ring membership passed
199: ok 1971 # correct ring bond data
199: ok 1972 # correct ring bond data
199: ok 1973 # correct ring bond data
199: ok 1974 # correct ring bond data
199: ok 1975 # correct ring bond data
199: ok 1976 # correct ring bond data
199: ok 1977 # correct ring bond data
199: ok 1978 # correct ring bond data
199: ok 1979 # correct ring bond data
199: ok 1980 # correct ring bond data
199: ok 1981 # correct ring bond data
199: ok 1982 # correct ring bond data
199: ok 1983 # correct ring bond data
199: ok 1984 # correct ring bond data
199: ok 1985 # correct ring bond data
199: ok 1986 # correct ring bond data
199: ok 1987 # correct ring bond data
199: ok 1988 # correct ring bond data
199: ok 1989 # correct ring bond data
199: ok 1990 # SSSR size matches reference
199: ok 1991 # correct SSSR count
199: ok 1992 # ring membership passed
199: ok 1993 # correct SSSR count
199: ok 1994 # ring membership passed
199: ok 1995 # correct SSSR count
199: ok 1996 # ring membership passed
199: ok 1997 # correct SSSR count
199: ok 1998 # ring membership passed
199: ok 1999 # correct SSSR count
199: ok 2000 # ring membership passed
199: ok 2001 # correct SSSR count
199: ok 2002 # ring membership passed
199: ok 2003 # correct SSSR count
199: ok 2004 # ring membership passed
199: ok 2005 # correct SSSR count
199: ok 2006 # ring membership passed
199: ok 2007 # correct SSSR count
199: ok 2008 # ring membership passed
199: ok 2009 # correct SSSR count
199: ok 2010 # ring membership passed
199: ok 2011 # correct SSSR count
199: ok 2012 # ring membership passed
199: ok 2013 # correct SSSR count
199: ok 2014 # ring membership passed
199: ok 2015 # correct SSSR count
199: ok 2016 # ring membership passed
199: ok 2017 # correct SSSR count
199: ok 2018 # ring membership passed
199: ok 2019 # correct SSSR count
199: ok 2020 # ring membership passed
199: ok 2021 # correct SSSR count
199: ok 2022 # ring membership passed
199: ok 2023 # correct SSSR count
199: ok 2024 # ring membership passed
199: ok 2025 # correct SSSR count
199: ok 2026 # ring membership passed
199: ok 2027 # correct ring bond data
199: ok 2028 # correct ring bond data
199: ok 2029 # correct ring bond data
199: ok 2030 # correct ring bond data
199: ok 2031 # correct ring bond data
199: ok 2032 # correct ring bond data
199: ok 2033 # correct ring bond data
199: ok 2034 # correct ring bond data
199: ok 2035 # correct ring bond data
199: ok 2036 # correct ring bond data
199: ok 2037 # correct ring bond data
199: ok 2038 # correct ring bond data
199: ok 2039 # correct ring bond data
199: ok 2040 # correct ring bond data
199: ok 2041 # correct ring bond data
199: ok 2042 # correct ring bond data
199: ok 2043 # correct ring bond data
199: ok 2044 # correct ring bond data
199: ok 2045 # correct ring bond data
199: ok 2046 # SSSR size matches reference
199: ok 2047 # correct SSSR count
199: ok 2048 # ring membership passed
199: ok 2049 # correct SSSR count
199: ok 2050 # ring membership passed
199: ok 2051 # correct SSSR count
199: ok 2052 # ring membership passed
199: ok 2053 # correct SSSR count
199: ok 2054 # ring membership passed
199: ok 2055 # correct SSSR count
199: ok 2056 # ring membership passed
199: ok 2057 # correct SSSR count
199: ok 2058 # ring membership passed
199: ok 2059 # correct SSSR count
199: ok 2060 # ring membership passed
199: ok 2061 # correct SSSR count
199: ok 2062 # ring membership passed
199: ok 2063 # correct SSSR count
199: ok 2064 # ring membership passed
199: ok 2065 # correct SSSR count
199: ok 2066 # ring membership passed
199: ok 2067 # correct SSSR count
199: ok 2068 # ring membership passed
199: ok 2069 # correct SSSR count
199: ok 2070 # ring membership passed
199: ok 2071 # correct SSSR count
199: ok 2072 # ring membership passed
199: ok 2073 # correct SSSR count
199: ok 2074 # ring membership passed
199: ok 2075 # correct SSSR count
199: ok 2076 # ring membership passed
199: ok 2077 # correct SSSR count
199: ok 2078 # ring membership passed
199: ok 2079 # correct SSSR count
199: ok 2080 # ring membership passed
199: ok 2081 # correct ring bond data
199: ok 2082 # correct ring bond data
199: ok 2083 # correct ring bond data
199: ok 2084 # correct ring bond data
199: ok 2085 # correct ring bond data
199: ok 2086 # correct ring bond data
199: ok 2087 # correct ring bond data
199: ok 2088 # correct ring bond data
199: ok 2089 # correct ring bond data
199: ok 2090 # correct ring bond data
199: ok 2091 # correct ring bond data
199: ok 2092 # correct ring bond data
199: ok 2093 # correct ring bond data
199: ok 2094 # correct ring bond data
199: ok 2095 # correct ring bond data
199: ok 2096 # correct ring bond data
199: ok 2097 # correct ring bond data
199: ok 2098 # correct ring bond data
199: ok 2099 # correct ring bond data
199: ok 2100 # correct ring bond data
199: ok 2101 # correct ring bond data
199: ok 2102 # correct ring bond data
199: ok 2103 # correct ring bond data
199: ok 2104 # correct ring bond data
199: ok 2105 # correct ring bond data
199: ok 2106 # correct ring bond data
199: ok 2107 # correct ring bond data
199: ok 2108 # SSSR size matches reference
199: ok 2109 # correct SSSR count
199: ok 2110 # ring membership passed
199: ok 2111 # correct SSSR count
199: ok 2112 # ring membership passed
199: ok 2113 # correct SSSR count
199: ok 2114 # ring membership passed
199: ok 2115 # correct SSSR count
199: ok 2116 # ring membership passed
199: ok 2117 # correct SSSR count
199: ok 2118 # ring membership passed
199: ok 2119 # correct SSSR count
199: ok 2120 # ring membership passed
199: ok 2121 # correct SSSR count
199: ok 2122 # ring membership passed
199: ok 2123 # correct SSSR count
199: ok 2124 # ring membership passed
199: ok 2125 # correct SSSR count
199: ok 2126 # ring membership passed
199: ok 2127 # correct SSSR count
199: ok 2128 # ring membership passed
199: ok 2129 # correct SSSR count
199: ok 2130 # ring membership passed
199: ok 2131 # correct SSSR count
199: ok 2132 # ring membership passed
199: ok 2133 # correct SSSR count
199: ok 2134 # ring membership passed
199: ok 2135 # correct SSSR count
199: ok 2136 # ring membership passed
199: ok 2137 # correct SSSR count
199: ok 2138 # ring membership passed
199: ok 2139 # correct SSSR count
199: ok 2140 # ring membership passed
199: ok 2141 # correct SSSR count
199: ok 2142 # ring membership passed
199: ok 2143 # correct SSSR count
199: ok 2144 # ring membership passed
199: ok 2145 # correct SSSR count
199: ok 2146 # ring membership passed
199: ok 2147 # correct SSSR count
199: ok 2148 # ring membership passed
199: ok 2149 # correct SSSR count
199: ok 2150 # ring membership passed
199: ok 2151 # correct SSSR count
199: ok 2152 # ring membership passed
199: ok 2153 # correct SSSR count
199: ok 2154 # ring membership passed
199: ok 2155 # correct SSSR count
199: ok 2156 # ring membership passed
199: ok 2157 # correct SSSR count
199: ok 2158 # ring membership passed
199: ok 2159 # correct SSSR count
199: ok 2160 # ring membership passed
199: ok 2161 # correct ring bond data
199: ok 2162 # correct ring bond data
199: ok 2163 # correct ring bond data
199: ok 2164 # correct ring bond data
199: ok 2165 # correct ring bond data
199: ok 2166 # correct ring bond data
199: ok 2167 # correct ring bond data
199: ok 2168 # correct ring bond data
199: ok 2169 # correct ring bond data
199: ok 2170 # correct ring bond data
199: ok 2171 # correct ring bond data
199: ok 2172 # correct ring bond data
199: ok 2173 # correct ring bond data
199: ok 2174 # correct ring bond data
199: ok 2175 # correct ring bond data
199: ok 2176 # correct ring bond data
199: ok 2177 # correct ring bond data
199: ok 2178 # correct ring bond data
199: ok 2179 # correct ring bond data
199: ok 2180 # correct ring bond data
199: ok 2181 # SSSR size matches reference
199: ok 2182 # correct SSSR count
199: ok 2183 # ring membership passed
199: ok 2184 # correct SSSR count
199: ok 2185 # ring membership passed
199: ok 2186 # correct SSSR count
199: ok 2187 # ring membership passed
199: ok 2188 # correct SSSR count
199: ok 2189 # ring membership passed
199: ok 2190 # correct SSSR count
199: ok 2191 # ring membership passed
199: ok 2192 # correct SSSR count
199: ok 2193 # ring membership passed
199: ok 2194 # correct SSSR count
199: ok 2195 # ring membership passed
199: ok 2196 # correct SSSR count
199: ok 2197 # ring membership passed
199: ok 2198 # correct SSSR count
199: ok 2199 # ring membership passed
199: ok 2200 # correct SSSR count
199: ok 2201 # ring membership passed
199: ok 2202 # correct SSSR count
199: ok 2203 # ring membership passed
199: ok 2204 # correct SSSR count
199: ok 2205 # ring membership passed
199: ok 2206 # correct SSSR count
199: ok 2207 # ring membership passed
199: ok 2208 # correct SSSR count
199: ok 2209 # ring membership passed
199: ok 2210 # correct SSSR count
199: ok 2211 # ring membership passed
199: ok 2212 # correct SSSR count
199: ok 2213 # ring membership passed
199: ok 2214 # correct SSSR count
199: ok 2215 # ring membership passed
199: ok 2216 # correct SSSR count
199: ok 2217 # ring membership passed
199: ok 2218 # correct SSSR count
199: ok 2219 # ring membership passed
199: ok 2220 # correct ring bond data
199: ok 2221 # correct ring bond data
199: ok 2222 # correct ring bond data
199: ok 2223 # correct ring bond data
199: ok 2224 # correct ring bond data
199: ok 2225 # correct ring bond data
199: ok 2226 # correct ring bond data
199: ok 2227 # correct ring bond data
199: ok 2228 # correct ring bond data
199: ok 2229 # correct ring bond data
199: ok 2230 # correct ring bond data
199: ok 2231 # correct ring bond data
199: ok 2232 # correct ring bond data
199: ok 2233 # correct ring bond data
199: ok 2234 # correct ring bond data
199: ok 2235 # correct ring bond data
199: ok 2236 # correct ring bond data
199: ok 2237 # correct ring bond data
199: ok 2238 # correct ring bond data
199: ok 2239 # correct ring bond data
199: ok 2240 # SSSR size matches reference
199: ok 2241 # correct SSSR count
199: ok 2242 # ring membership passed
199: ok 2243 # correct SSSR count
199: ok 2244 # ring membership passed
199: ok 2245 # correct SSSR count
199: ok 2246 # ring membership passed
199: ok 2247 # correct SSSR count
199: ok 2248 # ring membership passed
199: ok 2249 # correct SSSR count
199: ok 2250 # ring membership passed
199: ok 2251 # correct SSSR count
199: ok 2252 # ring membership passed
199: ok 2253 # correct SSSR count
199: ok 2254 # ring membership passed
199: ok 2255 # correct SSSR count
199: ok 2256 # ring membership passed
199: ok 2257 # correct SSSR count
199: ok 2258 # ring membership passed
199: ok 2259 # correct SSSR count
199: ok 2260 # ring membership passed
199: ok 2261 # correct SSSR count
199: ok 2262 # ring membership passed
199: ok 2263 # correct SSSR count
199: ok 2264 # ring membership passed
199: ok 2265 # correct SSSR count
199: ok 2266 # ring membership passed
199: ok 2267 # correct SSSR count
199: ok 2268 # ring membership passed
199: ok 2269 # correct SSSR count
199: ok 2270 # ring membership passed
199: ok 2271 # correct SSSR count
199: ok 2272 # ring membership passed
199: ok 2273 # correct SSSR count
199: ok 2274 # ring membership passed
199: ok 2275 # correct SSSR count
199: ok 2276 # ring membership passed
199: ok 2277 # correct SSSR count
199: ok 2278 # ring membership passed
199: ok 2279 # correct ring bond data
199: ok 2280 # correct ring bond data
199: ok 2281 # correct ring bond data
199: ok 2282 # correct ring bond data
199: ok 2283 # correct ring bond data
199: ok 2284 # correct ring bond data
199: ok 2285 # correct ring bond data
199: ok 2286 # correct ring bond data
199: ok 2287 # correct ring bond data
199: ok 2288 # correct ring bond data
199: ok 2289 # correct ring bond data
199: ok 2290 # correct ring bond data
199: ok 2291 # correct ring bond data
199: ok 2292 # correct ring bond data
199: ok 2293 # correct ring bond data
199: ok 2294 # correct ring bond data
199: ok 2295 # correct ring bond data
199: ok 2296 # correct ring bond data
199: ok 2297 # correct ring bond data
199: ok 2298 # SSSR size matches reference
199: ok 2299 # correct SSSR count
199: ok 2300 # ring membership passed
199: ok 2301 # correct SSSR count
199: ok 2302 # ring membership passed
199: ok 2303 # correct SSSR count
199: ok 2304 # ring membership passed
199: ok 2305 # correct SSSR count
199: ok 2306 # ring membership passed
199: ok 2307 # correct SSSR count
199: ok 2308 # ring membership passed
199: ok 2309 # correct SSSR count
199: ok 2310 # ring membership passed
199: ok 2311 # correct SSSR count
199: ok 2312 # ring membership passed
199: ok 2313 # correct SSSR count
199: ok 2314 # ring membership passed
199: ok 2315 # correct SSSR count
199: ok 2316 # ring membership passed
199: ok 2317 # correct SSSR count
199: ok 2318 # ring membership passed
199: ok 2319 # correct SSSR count
199: ok 2320 # ring membership passed
199: ok 2321 # correct SSSR count
199: ok 2322 # ring membership passed
199: ok 2323 # correct SSSR count
199: ok 2324 # ring membership passed
199: ok 2325 # correct SSSR count
199: ok 2326 # ring membership passed
199: ok 2327 # correct SSSR count
199: ok 2328 # ring membership passed
199: ok 2329 # correct SSSR count
199: ok 2330 # ring membership passed
199: ok 2331 # correct SSSR count
199: ok 2332 # ring membership passed
199: ok 2333 # correct SSSR count
199: ok 2334 # ring membership passed
199: ok 2335 # correct ring bond data
199: ok 2336 # correct ring bond data
199: ok 2337 # correct ring bond data
199: ok 2338 # correct ring bond data
199: ok 2339 # correct ring bond data
199: ok 2340 # correct ring bond data
199: ok 2341 # correct ring bond data
199: ok 2342 # correct ring bond data
199: ok 2343 # correct ring bond data
199: ok 2344 # correct ring bond data
199: ok 2345 # correct ring bond data
199: ok 2346 # correct ring bond data
199: ok 2347 # correct ring bond data
199: ok 2348 # correct ring bond data
199: ok 2349 # correct ring bond data
199: ok 2350 # correct ring bond data
199: ok 2351 # SSSR size matches reference
199: ok 2352 # correct SSSR count
199: ok 2353 # ring membership passed
199: ok 2354 # correct SSSR count
199: ok 2355 # ring membership passed
199: ok 2356 # correct SSSR count
199: ok 2357 # ring membership passed
199: ok 2358 # correct SSSR count
199: ok 2359 # ring membership passed
199: ok 2360 # correct SSSR count
199: ok 2361 # ring membership passed
199: ok 2362 # correct SSSR count
199: ok 2363 # ring membership passed
199: ok 2364 # correct SSSR count
199: ok 2365 # ring membership passed
199: ok 2366 # correct SSSR count
199: ok 2367 # ring membership passed
199: ok 2368 # correct SSSR count
199: ok 2369 # ring membership passed
199: ok 2370 # correct SSSR count
199: ok 2371 # ring membership passed
199: ok 2372 # correct SSSR count
199: ok 2373 # ring membership passed
199: ok 2374 # correct SSSR count
199: ok 2375 # ring membership passed
199: ok 2376 # correct SSSR count
199: ok 2377 # ring membership passed
199: ok 2378 # correct SSSR count
199: ok 2379 # ring membership passed
199: ok 2380 # correct SSSR count
199: ok 2381 # ring membership passed
199: ok 2382 # correct ring bond data
199: ok 2383 # correct ring bond data
199: ok 2384 # correct ring bond data
199: ok 2385 # correct ring bond data
199: ok 2386 # correct ring bond data
199: ok 2387 # correct ring bond data
199: ok 2388 # correct ring bond data
199: ok 2389 # correct ring bond data
199: ok 2390 # correct ring bond data
199: ok 2391 # correct ring bond data
199: ok 2392 # correct ring bond data
199: ok 2393 # correct ring bond data
199: ok 2394 # correct ring bond data
199: ok 2395 # correct ring bond data
199: ok 2396 # correct ring bond data
199: ok 2397 # correct ring bond data
199: ok 2398 # SSSR size matches reference
199: ok 2399 # correct SSSR count
199: ok 2400 # ring membership passed
199: ok 2401 # correct SSSR count
199: ok 2402 # ring membership passed
199: ok 2403 # correct SSSR count
199: ok 2404 # ring membership passed
199: ok 2405 # correct SSSR count
199: ok 2406 # ring membership passed
199: ok 2407 # correct SSSR count
199: ok 2408 # ring membership passed
199: ok 2409 # correct SSSR count
199: ok 2410 # ring membership passed
199: ok 2411 # correct SSSR count
199: ok 2412 # ring membership passed
199: ok 2413 # correct SSSR count
199: ok 2414 # ring membership passed
199: ok 2415 # correct SSSR count
199: ok 2416 # ring membership passed
199: ok 2417 # correct SSSR count
199: ok 2418 # ring membership passed
199: ok 2419 # correct SSSR count
199: ok 2420 # ring membership passed
199: ok 2421 # correct SSSR count
199: ok 2422 # ring membership passed
199: ok 2423 # correct SSSR count
199: ok 2424 # ring membership passed
199: ok 2425 # correct SSSR count
199: ok 2426 # ring membership passed
199: ok 2427 # correct SSSR count
199: ok 2428 # ring membership passed
199: ok 2429 # correct ring bond data
199: ok 2430 # correct ring bond data
199: ok 2431 # correct ring bond data
199: ok 2432 # correct ring bond data
199: ok 2433 # correct ring bond data
199: ok 2434 # correct ring bond data
199: ok 2435 # correct ring bond data
199: ok 2436 # correct ring bond data
199: ok 2437 # correct ring bond data
199: ok 2438 # correct ring bond data
199: ok 2439 # correct ring bond data
199: ok 2440 # correct ring bond data
199: ok 2441 # correct ring bond data
199: ok 2442 # correct ring bond data
199: ok 2443 # correct ring bond data
199: ok 2444 # correct ring bond data
199: ok 2445 # correct ring bond data
199: ok 2446 # correct ring bond data
199: ok 2447 # correct ring bond data
199: ok 2448 # SSSR size matches reference
199: ok 2449 # correct SSSR count
199: ok 2450 # ring membership passed
199: ok 2451 # correct SSSR count
199: ok 2452 # ring membership passed
199: ok 2453 # correct SSSR count
199: ok 2454 # ring membership passed
199: ok 2455 # correct SSSR count
199: ok 2456 # ring membership passed
199: ok 2457 # correct SSSR count
199: ok 2458 # ring membership passed
199: ok 2459 # correct SSSR count
199: ok 2460 # ring membership passed
199: ok 2461 # correct SSSR count
199: ok 2462 # ring membership passed
199: ok 2463 # correct SSSR count
199: ok 2464 # ring membership passed
199: ok 2465 # correct SSSR count
199: ok 2466 # ring membership passed
199: ok 2467 # correct SSSR count
199: ok 2468 # ring membership passed
199: ok 2469 # correct SSSR count
199: ok 2470 # ring membership passed
199: ok 2471 # correct SSSR count
199: ok 2472 # ring membership passed
199: ok 2473 # correct SSSR count
199: ok 2474 # ring membership passed
199: ok 2475 # correct SSSR count
199: ok 2476 # ring membership passed
199: ok 2477 # correct SSSR count
199: ok 2478 # ring membership passed
199: ok 2479 # correct SSSR count
199: ok 2480 # ring membership passed
199: ok 2481 # correct SSSR count
199: ok 2482 # ring membership passed
199: ok 2483 # correct SSSR count
199: ok 2484 # ring membership passed
199: ok 2485 # correct ring bond data
199: ok 2486 # correct ring bond data
199: ok 2487 # correct ring bond data
199: ok 2488 # correct ring bond data
199: ok 2489 # correct ring bond data
199: ok 2490 # correct ring bond data
199: ok 2491 # correct ring bond data
199: ok 2492 # correct ring bond data
199: ok 2493 # correct ring bond data
199: ok 2494 # correct ring bond data
199: ok 2495 # correct ring bond data
199: ok 2496 # correct ring bond data
199: ok 2497 # correct ring bond data
199: ok 2498 # correct ring bond data
199: ok 2499 # correct ring bond data
199: ok 2500 # correct ring bond data
199: ok 2501 # correct ring bond data
199: ok 2502 # correct ring bond data
199: ok 2503 # correct ring bond data
199: ok 2504 # correct ring bond data
199: ok 2505 # SSSR size matches reference
199: ok 2506 # correct SSSR count
199: ok 2507 # ring membership passed
199: ok 2508 # correct SSSR count
199: ok 2509 # ring membership passed
199: ok 2510 # correct SSSR count
199: ok 2511 # ring membership passed
199: ok 2512 # correct SSSR count
199: ok 2513 # ring membership passed
199: ok 2514 # correct SSSR count
199: ok 2515 # ring membership passed
199: ok 2516 # correct SSSR count
199: ok 2517 # ring membership passed
199: ok 2518 # correct SSSR count
199: ok 2519 # ring membership passed
199: ok 2520 # correct SSSR count
199: ok 2521 # ring membership passed
199: ok 2522 # correct SSSR count
199: ok 2523 # ring membership passed
199: ok 2524 # correct SSSR count
199: ok 2525 # ring membership passed
199: ok 2526 # correct SSSR count
199: ok 2527 # ring membership passed
199: ok 2528 # correct SSSR count
199: ok 2529 # ring membership passed
199: ok 2530 # correct SSSR count
199: ok 2531 # ring membership passed
199: ok 2532 # correct SSSR count
199: ok 2533 # ring membership passed
199: ok 2534 # correct SSSR count
199: ok 2535 # ring membership passed
199: ok 2536 # correct SSSR count
199: ok 2537 # ring membership passed
199: ok 2538 # correct SSSR count
199: ok 2539 # ring membership passed
199: ok 2540 # correct SSSR count
199: ok 2541 # ring membership passed
199: ok 2542 # correct SSSR count
199: ok 2543 # ring membership passed
199: ok 2544 # correct SSSR count
199: ok 2545 # ring membership passed
199: ok 2546 # correct ring bond data
199: ok 2547 # correct ring bond data
199: ok 2548 # correct ring bond data
199: ok 2549 # correct ring bond data
199: ok 2550 # correct ring bond data
199: ok 2551 # correct ring bond data
199: ok 2552 # correct ring bond data
199: ok 2553 # correct ring bond data
199: ok 2554 # correct ring bond data
199: ok 2555 # correct ring bond data
199: ok 2556 # correct ring bond data
199: ok 2557 # correct ring bond data
199: ok 2558 # correct ring bond data
199: ok 2559 # correct ring bond data
199: ok 2560 # correct ring bond data
199: ok 2561 # SSSR size matches reference
199: ok 2562 # correct SSSR count
199: ok 2563 # ring membership passed
199: ok 2564 # correct SSSR count
199: ok 2565 # ring membership passed
199: ok 2566 # correct SSSR count
199: ok 2567 # ring membership passed
199: ok 2568 # correct SSSR count
199: ok 2569 # ring membership passed
199: ok 2570 # correct SSSR count
199: ok 2571 # ring membership passed
199: ok 2572 # correct SSSR count
199: ok 2573 # ring membership passed
199: ok 2574 # correct SSSR count
199: ok 2575 # ring membership passed
199: ok 2576 # correct SSSR count
199: ok 2577 # ring membership passed
199: ok 2578 # correct SSSR count
199: ok 2579 # ring membership passed
199: ok 2580 # correct SSSR count
199: ok 2581 # ring membership passed
199: ok 2582 # correct SSSR count
199: ok 2583 # ring membership passed
199: ok 2584 # correct SSSR count
199: ok 2585 # ring membership passed
199: ok 2586 # correct SSSR count
199: ok 2587 # ring membership passed
199: ok 2588 # correct SSSR count
199: ok 2589 # ring membership passed
199: ok 2590 # correct ring bond data
199: ok 2591 # correct ring bond data
199: ok 2592 # correct ring bond data
199: ok 2593 # correct ring bond data
199: ok 2594 # correct ring bond data
199: ok 2595 # correct ring bond data
199: ok 2596 # correct ring bond data
199: ok 2597 # correct ring bond data
199: ok 2598 # correct ring bond data
199: ok 2599 # correct ring bond data
199: ok 2600 # correct ring bond data
199: ok 2601 # correct ring bond data
199: ok 2602 # correct ring bond data
199: ok 2603 # correct ring bond data
199: ok 2604 # correct ring bond data
199: ok 2605 # correct ring bond data
199: ok 2606 # correct ring bond data
199: ok 2607 # correct ring bond data
199: ok 2608 # correct ring bond data
199: ok 2609 # correct ring bond data
199: ok 2610 # correct ring bond data
199: ok 2611 # correct ring bond data
199: ok 2612 # SSSR size matches reference
199: ok 2613 # correct SSSR count
199: ok 2614 # ring membership passed
199: ok 2615 # correct SSSR count
199: ok 2616 # ring membership passed
199: ok 2617 # correct SSSR count
199: ok 2618 # ring membership passed
199: ok 2619 # correct SSSR count
199: ok 2620 # ring membership passed
199: ok 2621 # correct SSSR count
199: ok 2622 # ring membership passed
199: ok 2623 # correct SSSR count
199: ok 2624 # ring membership passed
199: ok 2625 # correct SSSR count
199: ok 2626 # ring membership passed
199: ok 2627 # correct SSSR count
199: ok 2628 # ring membership passed
199: ok 2629 # correct SSSR count
199: ok 2630 # ring membership passed
199: ok 2631 # correct SSSR count
199: ok 2632 # ring membership passed
199: ok 2633 # correct SSSR count
199: ok 2634 # ring membership passed
199: ok 2635 # correct SSSR count
199: ok 2636 # ring membership passed
199: ok 2637 # correct SSSR count
199: ok 2638 # ring membership passed
199: ok 2639 # correct SSSR count
199: ok 2640 # ring membership passed
199: ok 2641 # correct SSSR count
199: ok 2642 # ring membership passed
199: ok 2643 # correct SSSR count
199: ok 2644 # ring membership passed
199: ok 2645 # correct SSSR count
199: ok 2646 # ring membership passed
199: ok 2647 # correct SSSR count
199: ok 2648 # ring membership passed
199: ok 2649 # correct SSSR count
199: ok 2650 # ring membership passed
199: ok 2651 # correct SSSR count
199: ok 2652 # ring membership passed
199: ok 2653 # correct ring bond data
199: ok 2654 # correct ring bond data
199: ok 2655 # correct ring bond data
199: ok 2656 # correct ring bond data
199: ok 2657 # correct ring bond data
199: ok 2658 # correct ring bond data
199: ok 2659 # correct ring bond data
199: ok 2660 # correct ring bond data
199: ok 2661 # correct ring bond data
199: ok 2662 # correct ring bond data
199: ok 2663 # correct ring bond data
199: ok 2664 # correct ring bond data
199: ok 2665 # correct ring bond data
199: ok 2666 # correct ring bond data
199: ok 2667 # correct ring bond data
199: ok 2668 # correct ring bond data
199: ok 2669 # correct ring bond data
199: ok 2670 # correct ring bond data
199: ok 2671 # correct ring bond data
199: ok 2672 # correct ring bond data
199: ok 2673 # correct ring bond data
199: ok 2674 # correct ring bond data
199: ok 2675 # SSSR size matches reference
199: ok 2676 # correct SSSR count
199: ok 2677 # ring membership passed
199: ok 2678 # correct SSSR count
199: ok 2679 # ring membership passed
199: ok 2680 # correct SSSR count
199: ok 2681 # ring membership passed
199: ok 2682 # correct SSSR count
199: ok 2683 # ring membership passed
199: ok 2684 # correct SSSR count
199: ok 2685 # ring membership passed
199: ok 2686 # correct SSSR count
199: ok 2687 # ring membership passed
199: ok 2688 # correct SSSR count
199: ok 2689 # ring membership passed
199: ok 2690 # correct SSSR count
199: ok 2691 # ring membership passed
199: ok 2692 # correct SSSR count
199: ok 2693 # ring membership passed
199: ok 2694 # correct SSSR count
199: ok 2695 # ring membership passed
199: ok 2696 # correct SSSR count
199: ok 2697 # ring membership passed
199: ok 2698 # correct SSSR count
199: ok 2699 # ring membership passed
199: ok 2700 # correct SSSR count
199: ok 2701 # ring membership passed
199: ok 2702 # correct SSSR count
199: ok 2703 # ring membership passed
199: ok 2704 # correct SSSR count
199: ok 2705 # ring membership passed
199: ok 2706 # correct SSSR count
199: ok 2707 # ring membership passed
199: ok 2708 # correct SSSR count
199: ok 2709 # ring membership passed
199: ok 2710 # correct SSSR count
199: ok 2711 # ring membership passed
199: ok 2712 # correct SSSR count
199: ok 2713 # ring membership passed
199: ok 2714 # correct SSSR count
199: ok 2715 # ring membership passed
199: ok 2716 # correct ring bond data
199: ok 2717 # correct ring bond data
199: ok 2718 # correct ring bond data
199: ok 2719 # correct ring bond data
199: ok 2720 # correct ring bond data
199: ok 2721 # correct ring bond data
199: ok 2722 # correct ring bond data
199: ok 2723 # correct ring bond data
199: ok 2724 # correct ring bond data
199: ok 2725 # correct ring bond data
199: ok 2726 # correct ring bond data
199: ok 2727 # correct ring bond data
199: ok 2728 # correct ring bond data
199: ok 2729 # correct ring bond data
199: ok 2730 # correct ring bond data
199: ok 2731 # correct ring bond data
199: ok 2732 # SSSR size matches reference
199: ok 2733 # correct SSSR count
199: ok 2734 # ring membership passed
199: ok 2735 # correct SSSR count
199: ok 2736 # ring membership passed
199: ok 2737 # correct SSSR count
199: ok 2738 # ring membership passed
199: ok 2739 # correct SSSR count
199: ok 2740 # ring membership passed
199: ok 2741 # correct SSSR count
199: ok 2742 # ring membership passed
199: ok 2743 # correct SSSR count
199: ok 2744 # ring membership passed
199: ok 2745 # correct SSSR count
199: ok 2746 # ring membership passed
199: ok 2747 # correct SSSR count
199: ok 2748 # ring membership passed
199: ok 2749 # correct SSSR count
199: ok 2750 # ring membership passed
199: ok 2751 # correct SSSR count
199: ok 2752 # ring membership passed
199: ok 2753 # correct SSSR count
199: ok 2754 # ring membership passed
199: ok 2755 # correct SSSR count
199: ok 2756 # ring membership passed
199: ok 2757 # correct SSSR count
199: ok 2758 # ring membership passed
199: ok 2759 # correct SSSR count
199: ok 2760 # ring membership passed
199: ok 2761 # correct SSSR count
199: ok 2762 # ring membership passed
199: ok 2763 # correct ring bond data
199: ok 2764 # correct ring bond data
199: ok 2765 # correct ring bond data
199: ok 2766 # correct ring bond data
199: ok 2767 # correct ring bond data
199: ok 2768 # correct ring bond data
199: ok 2769 # correct ring bond data
199: ok 2770 # correct ring bond data
199: ok 2771 # correct ring bond data
199: ok 2772 # correct ring bond data
199: ok 2773 # correct ring bond data
199: ok 2774 # correct ring bond data
199: ok 2775 # correct ring bond data
199: ok 2776 # correct ring bond data
199: ok 2777 # correct ring bond data
199: ok 2778 # correct ring bond data
199: ok 2779 # correct ring bond data
199: ok 2780 # correct ring bond data
199: ok 2781 # correct ring bond data
199: ok 2782 # correct ring bond data
199: ok 2783 # SSSR size matches reference
199: ok 2784 # correct SSSR count
199: ok 2785 # ring membership passed
199: ok 2786 # correct SSSR count
199: ok 2787 # ring membership passed
199: ok 2788 # correct SSSR count
199: ok 2789 # ring membership passed
199: ok 2790 # correct SSSR count
199: ok 2791 # ring membership passed
199: ok 2792 # correct SSSR count
199: ok 2793 # ring membership passed
199: ok 2794 # correct SSSR count
199: ok 2795 # ring membership passed
199: ok 2796 # correct SSSR count
199: ok 2797 # ring membership passed
199: ok 2798 # correct SSSR count
199: ok 2799 # ring membership passed
199: ok 2800 # correct SSSR count
199: ok 2801 # ring membership passed
199: ok 2802 # correct SSSR count
199: ok 2803 # ring membership passed
199: ok 2804 # correct SSSR count
199: ok 2805 # ring membership passed
199: ok 2806 # correct SSSR count
199: ok 2807 # ring membership passed
199: ok 2808 # correct SSSR count
199: ok 2809 # ring membership passed
199: ok 2810 # correct SSSR count
199: ok 2811 # ring membership passed
199: ok 2812 # correct SSSR count
199: ok 2813 # ring membership passed
199: ok 2814 # correct SSSR count
199: ok 2815 # ring membership passed
199: ok 2816 # correct SSSR count
199: ok 2817 # ring membership passed
199: ok 2818 # correct SSSR count
199: ok 2819 # ring membership passed
199: ok 2820 # correct SSSR count
199: ok 2821 # ring membership passed
199: ok 2822 # correct SSSR count
199: ok 2823 # ring membership passed
199: ok 2824 # correct ring bond data
199: ok 2825 # correct ring bond data
199: ok 2826 # correct ring bond data
199: ok 2827 # correct ring bond data
199: ok 2828 # correct ring bond data
199: ok 2829 # correct ring bond data
199: ok 2830 # correct ring bond data
199: ok 2831 # correct ring bond data
199: ok 2832 # correct ring bond data
199: ok 2833 # correct ring bond data
199: ok 2834 # correct ring bond data
199: ok 2835 # correct ring bond data
199: ok 2836 # correct ring bond data
199: ok 2837 # correct ring bond data
199: ok 2838 # correct ring bond data
199: ok 2839 # correct ring bond data
199: ok 2840 # correct ring bond data
199: ok 2841 # correct ring bond data
199: ok 2842 # correct ring bond data
199: ok 2843 # correct ring bond data
199: ok 2844 # correct ring bond data
199: ok 2845 # correct ring bond data
199: ok 2846 # correct ring bond data
199: ok 2847 # correct ring bond data
199: ok 2848 # SSSR size matches reference
199: ok 2849 # correct SSSR count
199: ok 2850 # ring membership passed
199: ok 2851 # correct SSSR count
199: ok 2852 # ring membership passed
199: ok 2853 # correct SSSR count
199: ok 2854 # ring membership passed
199: ok 2855 # correct SSSR count
199: ok 2856 # ring membership passed
199: ok 2857 # correct SSSR count
199: ok 2858 # ring membership passed
199: ok 2859 # correct SSSR count
199: ok 2860 # ring membership passed
199: ok 2861 # correct SSSR count
199: ok 2862 # ring membership passed
199: ok 2863 # correct SSSR count
199: ok 2864 # ring membership passed
199: ok 2865 # correct SSSR count
199: ok 2866 # ring membership passed
199: ok 2867 # correct SSSR count
199: ok 2868 # ring membership passed
199: ok 2869 # correct SSSR count
199: ok 2870 # ring membership passed
199: ok 2871 # correct SSSR count
199: ok 2872 # ring membership passed
199: ok 2873 # correct SSSR count
199: ok 2874 # ring membership passed
199: ok 2875 # correct SSSR count
199: ok 2876 # ring membership passed
199: ok 2877 # correct SSSR count
199: ok 2878 # ring membership passed
199: ok 2879 # correct SSSR count
199: ok 2880 # ring membership passed
199: ok 2881 # correct SSSR count
199: ok 2882 # ring membership passed
199: ok 2883 # correct SSSR count
199: ok 2884 # ring membership passed
199: ok 2885 # correct SSSR count
199: ok 2886 # ring membership passed
199: ok 2887 # correct SSSR count
199: ok 2888 # ring membership passed
199: ok 2889 # correct SSSR count
199: ok 2890 # ring membership passed
199: ok 2891 # correct ring bond data
199: ok 2892 # correct ring bond data
199: ok 2893 # correct ring bond data
199: ok 2894 # correct ring bond data
199: ok 2895 # correct ring bond data
199: ok 2896 # correct ring bond data
199: ok 2897 # correct ring bond data
199: ok 2898 # correct ring bond data
199: ok 2899 # correct ring bond data
199: ok 2900 # correct ring bond data
199: ok 2901 # correct ring bond data
199: ok 2902 # correct ring bond data
199: ok 2903 # correct ring bond data
199: ok 2904 # correct ring bond data
199: ok 2905 # correct ring bond data
199: ok 2906 # correct ring bond data
199: ok 2907 # correct ring bond data
199: ok 2908 # correct ring bond data
199: ok 2909 # correct ring bond data
199: ok 2910 # correct ring bond data
199: ok 2911 # correct ring bond data
199: ok 2912 # correct ring bond data
199: ok 2913 # correct ring bond data
199: ok 2914 # correct ring bond data
199: ok 2915 # correct ring bond data
199: ok 2916 # correct ring bond data
199: ok 2917 # correct ring bond data
199: ok 2918 # correct ring bond data
199: ok 2919 # correct ring bond data
199: ok 2920 # correct ring bond data
199: ok 2921 # correct ring bond data
199: ok 2922 # SSSR size matches reference
199: ok 2923 # correct SSSR count
199: ok 2924 # ring membership passed
199: ok 2925 # correct SSSR count
199: ok 2926 # ring membership passed
199: ok 2927 # correct SSSR count
199: ok 2928 # ring membership passed
199: ok 2929 # correct SSSR count
199: ok 2930 # ring membership passed
199: ok 2931 # correct SSSR count
199: ok 2932 # ring membership passed
199: ok 2933 # correct SSSR count
199: ok 2934 # ring membership passed
199: ok 2935 # correct SSSR count
199: ok 2936 # ring membership passed
199: ok 2937 # correct SSSR count
199: ok 2938 # ring membership passed
199: ok 2939 # correct SSSR count
199: ok 2940 # ring membership passed
199: ok 2941 # correct SSSR count
199: ok 2942 # ring membership passed
199: ok 2943 # correct SSSR count
199: ok 2944 # ring membership passed
199: ok 2945 # correct SSSR count
199: ok 2946 # ring membership passed
199: ok 2947 # correct SSSR count
199: ok 2948 # ring membership passed
199: ok 2949 # correct SSSR count
199: ok 2950 # ring membership passed
199: ok 2951 # correct SSSR count
199: ok 2952 # ring membership passed
199: ok 2953 # correct SSSR count
199: ok 2954 # ring membership passed
199: ok 2955 # correct SSSR count
199: ok 2956 # ring membership passed
199: ok 2957 # correct SSSR count
199: ok 2958 # ring membership passed
199: ok 2959 # correct SSSR count
199: ok 2960 # ring membership passed
199: ok 2961 # correct SSSR count
199: ok 2962 # ring membership passed
199: ok 2963 # correct SSSR count
199: ok 2964 # ring membership passed
199: ok 2965 # correct SSSR count
199: ok 2966 # ring membership passed
199: ok 2967 # correct SSSR count
199: ok 2968 # ring membership passed
199: ok 2969 # correct SSSR count
199: ok 2970 # ring membership passed
199: ok 2971 # correct SSSR count
199: ok 2972 # ring membership passed
199: ok 2973 # correct SSSR count
199: ok 2974 # ring membership passed
199: ok 2975 # correct SSSR count
199: ok 2976 # ring membership passed
199: ok 2977 # correct ring bond data
199: ok 2978 # correct ring bond data
199: ok 2979 # correct ring bond data
199: ok 2980 # correct ring bond data
199: ok 2981 # correct ring bond data
199: ok 2982 # correct ring bond data
199: ok 2983 # correct ring bond data
199: ok 2984 # correct ring bond data
199: ok 2985 # correct ring bond data
199: ok 2986 # correct ring bond data
199: ok 2987 # correct ring bond data
199: ok 2988 # correct ring bond data
199: ok 2989 # correct ring bond data
199: ok 2990 # correct ring bond data
199: ok 2991 # correct ring bond data
199: ok 2992 # SSSR size matches reference
199: ok 2993 # correct SSSR count
199: ok 2994 # ring membership passed
199: ok 2995 # correct SSSR count
199: ok 2996 # ring membership passed
199: ok 2997 # correct SSSR count
199: ok 2998 # ring membership passed
199: ok 2999 # correct SSSR count
199: ok 3000 # ring membership passed
199: ok 3001 # correct SSSR count
199: ok 3002 # ring membership passed
199: ok 3003 # correct SSSR count
199: ok 3004 # ring membership passed
199: ok 3005 # correct SSSR count
199: ok 3006 # ring membership passed
199: ok 3007 # correct SSSR count
199: ok 3008 # ring membership passed
199: ok 3009 # correct SSSR count
199: ok 3010 # ring membership passed
199: ok 3011 # correct SSSR count
199: ok 3012 # ring membership passed
199: ok 3013 # correct SSSR count
199: ok 3014 # ring membership passed
199: ok 3015 # correct SSSR count
199: ok 3016 # ring membership passed
199: ok 3017 # correct SSSR count
199: ok 3018 # ring membership passed
199: ok 3019 # correct SSSR count
199: ok 3020 # ring membership passed
199: ok 3021 # correct ring bond data
199: ok 3022 # correct ring bond data
199: ok 3023 # correct ring bond data
199: ok 3024 # correct ring bond data
199: ok 3025 # correct ring bond data
199: ok 3026 # correct ring bond data
199: ok 3027 # correct ring bond data
199: ok 3028 # correct ring bond data
199: ok 3029 # correct ring bond data
199: ok 3030 # correct ring bond data
199: ok 3031 # correct ring bond data
199: ok 3032 # correct ring bond data
199: ok 3033 # correct ring bond data
199: ok 3034 # correct ring bond data
199: ok 3035 # correct ring bond data
199: ok 3036 # correct ring bond data
199: ok 3037 # correct ring bond data
199: ok 3038 # correct ring bond data
199: ok 3039 # correct ring bond data
199: ok 3040 # correct ring bond data
199: ok 3041 # SSSR size matches reference
199: ok 3042 # correct SSSR count
199: ok 3043 # ring membership passed
199: ok 3044 # correct SSSR count
199: ok 3045 # ring membership passed
199: ok 3046 # correct SSSR count
199: ok 3047 # ring membership passed
199: ok 3048 # correct SSSR count
199: ok 3049 # ring membership passed
199: ok 3050 # correct SSSR count
199: ok 3051 # ring membership passed
199: ok 3052 # correct SSSR count
199: ok 3053 # ring membership passed
199: ok 3054 # correct SSSR count
199: ok 3055 # ring membership passed
199: ok 3056 # correct SSSR count
199: ok 3057 # ring membership passed
199: ok 3058 # correct SSSR count
199: ok 3059 # ring membership passed
199: ok 3060 # correct SSSR count
199: ok 3061 # ring membership passed
199: ok 3062 # correct SSSR count
199: ok 3063 # ring membership passed
199: ok 3064 # correct SSSR count
199: ok 3065 # ring membership passed
199: ok 3066 # correct SSSR count
199: ok 3067 # ring membership passed
199: ok 3068 # correct SSSR count
199: ok 3069 # ring membership passed
199: ok 3070 # correct SSSR count
199: ok 3071 # ring membership passed
199: ok 3072 # correct SSSR count
199: ok 3073 # ring membership passed
199: ok 3074 # correct SSSR count
199: ok 3075 # ring membership passed
199: ok 3076 # correct SSSR count
199: ok 3077 # ring membership passed
199: ok 3078 # correct SSSR count
199: ok 3079 # ring membership passed
199: ok 3080 # correct ring bond data
199: ok 3081 # correct ring bond data
199: ok 3082 # correct ring bond data
199: ok 3083 # correct ring bond data
199: ok 3084 # correct ring bond data
199: ok 3085 # correct ring bond data
199: ok 3086 # correct ring bond data
199: ok 3087 # correct ring bond data
199: ok 3088 # correct ring bond data
199: ok 3089 # correct ring bond data
199: ok 3090 # correct ring bond data
199: ok 3091 # correct ring bond data
199: ok 3092 # correct ring bond data
199: ok 3093 # correct ring bond data
199: ok 3094 # correct ring bond data
199: ok 3095 # correct ring bond data
199: ok 3096 # correct ring bond data
199: ok 3097 # correct ring bond data
199: ok 3098 # correct ring bond data
199: ok 3099 # correct ring bond data
199: ok 3100 # correct ring bond data
199: ok 3101 # SSSR size matches reference
199: ok 3102 # correct SSSR count
199: ok 3103 # ring membership passed
199: ok 3104 # correct SSSR count
199: ok 3105 # ring membership passed
199: ok 3106 # correct SSSR count
199: ok 3107 # ring membership passed
199: ok 3108 # correct SSSR count
199: ok 3109 # ring membership passed
199: ok 3110 # correct SSSR count
199: ok 3111 # ring membership passed
199: ok 3112 # correct SSSR count
199: ok 3113 # ring membership passed
199: ok 3114 # correct SSSR count
199: ok 3115 # ring membership passed
199: ok 3116 # correct SSSR count
199: ok 3117 # ring membership passed
199: ok 3118 # correct SSSR count
199: ok 3119 # ring membership passed
199: ok 3120 # correct SSSR count
199: ok 3121 # ring membership passed
199: ok 3122 # correct SSSR count
199: ok 3123 # ring membership passed
199: ok 3124 # correct SSSR count
199: ok 3125 # ring membership passed
199: ok 3126 # correct SSSR count
199: ok 3127 # ring membership passed
199: ok 3128 # correct SSSR count
199: ok 3129 # ring membership passed
199: ok 3130 # correct SSSR count
199: ok 3131 # ring membership passed
199: ok 3132 # correct SSSR count
199: ok 3133 # ring membership passed
199: ok 3134 # correct SSSR count
199: ok 3135 # ring membership passed
199: ok 3136 # correct SSSR count
199: ok 3137 # ring membership passed
199: ok 3138 # correct SSSR count
199: ok 3139 # ring membership passed
199: ok 3140 # correct SSSR count
199: ok 3141 # ring membership passed
199: ok 3142 # correct ring bond data
199: ok 3143 # correct ring bond data
199: ok 3144 # correct ring bond data
199: ok 3145 # correct ring bond data
199: ok 3146 # correct ring bond data
199: ok 3147 # correct ring bond data
199: ok 3148 # correct ring bond data
199: ok 3149 # correct ring bond data
199: ok 3150 # correct ring bond data
199: ok 3151 # correct ring bond data
199: ok 3152 # correct ring bond data
199: ok 3153 # correct ring bond data
199: ok 3154 # correct ring bond data
199: ok 3155 # correct ring bond data
199: ok 3156 # correct ring bond data
199: ok 3157 # correct ring bond data
199: ok 3158 # correct ring bond data
199: ok 3159 # correct ring bond data
199: ok 3160 # correct ring bond data
199: ok 3161 # correct ring bond data
199: ok 3162 # correct ring bond data
199: ok 3163 # correct ring bond data
199: ok 3164 # SSSR size matches reference
199: ok 3165 # correct SSSR count
199: ok 3166 # ring membership passed
199: ok 3167 # correct SSSR count
199: ok 3168 # ring membership passed
199: ok 3169 # correct SSSR count
199: ok 3170 # ring membership passed
199: ok 3171 # correct SSSR count
199: ok 3172 # ring membership passed
199: ok 3173 # correct SSSR count
199: ok 3174 # ring membership passed
199: ok 3175 # correct SSSR count
199: ok 3176 # ring membership passed
199: ok 3177 # correct SSSR count
199: ok 3178 # ring membership passed
199: ok 3179 # correct SSSR count
199: ok 3180 # ring membership passed
199: ok 3181 # correct SSSR count
199: ok 3182 # ring membership passed
199: ok 3183 # correct SSSR count
199: ok 3184 # ring membership passed
199: ok 3185 # correct SSSR count
199: ok 3186 # ring membership passed
199: ok 3187 # correct SSSR count
199: ok 3188 # ring membership passed
199: ok 3189 # correct SSSR count
199: ok 3190 # ring membership passed
199: ok 3191 # correct SSSR count
199: ok 3192 # ring membership passed
199: ok 3193 # correct SSSR count
199: ok 3194 # ring membership passed
199: ok 3195 # correct SSSR count
199: ok 3196 # ring membership passed
199: ok 3197 # correct SSSR count
199: ok 3198 # ring membership passed
199: ok 3199 # correct SSSR count
199: ok 3200 # ring membership passed
199: ok 3201 # correct SSSR count
199: ok 3202 # ring membership passed
199: ok 3203 # correct SSSR count
199: ok 3204 # ring membership passed
199: ok 3205 # correct SSSR count
199: ok 3206 # ring membership passed
199: ok 3207 # correct SSSR count
199: ok 3208 # ring membership passed
199: ok 3209 # correct ring bond data
199: ok 3210 # correct ring bond data
199: ok 3211 # correct ring bond data
199: ok 3212 # correct ring bond data
199: ok 3213 # correct ring bond data
199: ok 3214 # correct ring bond data
199: ok 3215 # correct ring bond data
199: ok 3216 # correct ring bond data
199: ok 3217 # correct ring bond data
199: ok 3218 # correct ring bond data
199: ok 3219 # correct ring bond data
199: ok 3220 # correct ring bond data
199: ok 3221 # correct ring bond data
199: ok 3222 # correct ring bond data
199: ok 3223 # correct ring bond data
199: ok 3224 # correct ring bond data
199: ok 3225 # correct ring bond data
199: ok 3226 # correct ring bond data
199: ok 3227 # correct ring bond data
199: ok 3228 # correct ring bond data
199: ok 3229 # SSSR size matches reference
199: ok 3230 # correct SSSR count
199: ok 3231 # ring membership passed
199: ok 3232 # correct SSSR count
199: ok 3233 # ring membership passed
199: ok 3234 # correct SSSR count
199: ok 3235 # ring membership passed
199: ok 3236 # correct SSSR count
199: ok 3237 # ring membership passed
199: ok 3238 # correct SSSR count
199: ok 3239 # ring membership passed
199: ok 3240 # correct SSSR count
199: ok 3241 # ring membership passed
199: ok 3242 # correct SSSR count
199: ok 3243 # ring membership passed
199: ok 3244 # correct SSSR count
199: ok 3245 # ring membership passed
199: ok 3246 # correct SSSR count
199: ok 3247 # ring membership passed
199: ok 3248 # correct SSSR count
199: ok 3249 # ring membership passed
199: ok 3250 # correct SSSR count
199: ok 3251 # ring membership passed
199: ok 3252 # correct SSSR count
199: ok 3253 # ring membership passed
199: ok 3254 # correct SSSR count
199: ok 3255 # ring membership passed
199: ok 3256 # correct SSSR count
199: ok 3257 # ring membership passed
199: ok 3258 # correct SSSR count
199: ok 3259 # ring membership passed
199: ok 3260 # correct SSSR count
199: ok 3261 # ring membership passed
199: ok 3262 # correct SSSR count
199: ok 3263 # ring membership passed
199: ok 3264 # correct SSSR count
199: ok 3265 # ring membership passed
199: ok 3266 # correct SSSR count
199: ok 3267 # ring membership passed
199: ok 3268 # correct ring bond data
199: ok 3269 # correct ring bond data
199: ok 3270 # correct ring bond data
199: ok 3271 # correct ring bond data
199: ok 3272 # correct ring bond data
199: ok 3273 # correct ring bond data
199: ok 3274 # correct ring bond data
199: ok 3275 # correct ring bond data
199: ok 3276 # correct ring bond data
199: ok 3277 # correct ring bond data
199: ok 3278 # correct ring bond data
199: ok 3279 # correct ring bond data
199: ok 3280 # correct ring bond data
199: ok 3281 # correct ring bond data
199: ok 3282 # correct ring bond data
199: ok 3283 # correct ring bond data
199: ok 3284 # correct ring bond data
199: ok 3285 # correct ring bond data
199: ok 3286 # correct ring bond data
199: ok 3287 # correct ring bond data
199: ok 3288 # correct ring bond data
199: ok 3289 # correct ring bond data
199: ok 3290 # SSSR size matches reference
199: ok 3291 # correct SSSR count
199: ok 3292 # ring membership passed
199: ok 3293 # correct SSSR count
199: ok 3294 # ring membership passed
199: ok 3295 # correct SSSR count
199: ok 3296 # ring membership passed
199: ok 3297 # correct SSSR count
199: ok 3298 # ring membership passed
199: ok 3299 # correct SSSR count
199: ok 3300 # ring membership passed
199: ok 3301 # correct SSSR count
199: ok 3302 # ring membership passed
199: ok 3303 # correct SSSR count
199: ok 3304 # ring membership passed
199: ok 3305 # correct SSSR count
199: ok 3306 # ring membership passed
199: ok 3307 # correct SSSR count
199: ok 3308 # ring membership passed
199: ok 3309 # correct SSSR count
199: ok 3310 # ring membership passed
199: ok 3311 # correct SSSR count
199: ok 3312 # ring membership passed
199: ok 3313 # correct SSSR count
199: ok 3314 # ring membership passed
199: ok 3315 # correct SSSR count
199: ok 3316 # ring membership passed
199: ok 3317 # correct SSSR count
199: ok 3318 # ring membership passed
199: ok 3319 # correct SSSR count
199: ok 3320 # ring membership passed
199: ok 3321 # correct SSSR count
199: ok 3322 # ring membership passed
199: ok 3323 # correct SSSR count
199: ok 3324 # ring membership passed
199: ok 3325 # correct SSSR count
199: ok 3326 # ring membership passed
199: ok 3327 # correct SSSR count
199: ok 3328 # ring membership passed
199: ok 3329 # correct SSSR count
199: ok 3330 # ring membership passed
199: ok 3331 # correct SSSR count
199: ok 3332 # ring membership passed
199: ok 3333 # correct ring bond data
199: ok 3334 # correct ring bond data
199: ok 3335 # correct ring bond data
199: ok 3336 # correct ring bond data
199: ok 3337 # correct ring bond data
199: ok 3338 # correct ring bond data
199: ok 3339 # correct ring bond data
199: ok 3340 # correct ring bond data
199: ok 3341 # correct ring bond data
199: ok 3342 # correct ring bond data
199: ok 3343 # correct ring bond data
199: ok 3344 # correct ring bond data
199: ok 3345 # correct ring bond data
199: ok 3346 # correct ring bond data
199: ok 3347 # correct ring bond data
199: ok 3348 # correct ring bond data
199: ok 3349 # correct ring bond data
199: ok 3350 # correct ring bond data
199: ok 3351 # correct ring bond data
199: ok 3352 # correct ring bond data
199: ok 3353 # correct ring bond data
199: ok 3354 # SSSR size matches reference
199: ok 3355 # correct SSSR count
199: ok 3356 # ring membership passed
199: ok 3357 # correct SSSR count
199: ok 3358 # ring membership passed
199: ok 3359 # correct SSSR count
199: ok 3360 # ring membership passed
199: ok 3361 # correct SSSR count
199: ok 3362 # ring membership passed
199: ok 3363 # correct SSSR count
199: ok 3364 # ring membership passed
199: ok 3365 # correct SSSR count
199: ok 3366 # ring membership passed
199: ok 3367 # correct SSSR count
199: ok 3368 # ring membership passed
199: ok 3369 # correct SSSR count
199: ok 3370 # ring membership passed
199: ok 3371 # correct SSSR count
199: ok 3372 # ring membership passed
199: ok 3373 # correct SSSR count
199: ok 3374 # ring membership passed
199: ok 3375 # correct SSSR count
199: ok 3376 # ring membership passed
199: ok 3377 # correct SSSR count
199: ok 3378 # ring membership passed
199: ok 3379 # correct SSSR count
199: ok 3380 # ring membership passed
199: ok 3381 # correct SSSR count
199: ok 3382 # ring membership passed
199: ok 3383 # correct SSSR count
199: ok 3384 # ring membership passed
199: ok 3385 # correct SSSR count
199: ok 3386 # ring membership passed
199: ok 3387 # correct SSSR count
199: ok 3388 # ring membership passed
199: ok 3389 # correct SSSR count
199: ok 3390 # ring membership passed
199: ok 3391 # correct SSSR count
199: ok 3392 # ring membership passed
199: ok 3393 # correct SSSR count
199: ok 3394 # ring membership passed
199: ok 3395 # correct ring bond data
199: ok 3396 # correct ring bond data
199: ok 3397 # correct ring bond data
199: ok 3398 # correct ring bond data
199: ok 3399 # correct ring bond data
199: ok 3400 # correct ring bond data
199: ok 3401 # correct ring bond data
199: ok 3402 # correct ring bond data
199: ok 3403 # correct ring bond data
199: ok 3404 # correct ring bond data
199: ok 3405 # correct ring bond data
199: ok 3406 # correct ring bond data
199: ok 3407 # correct ring bond data
199: ok 3408 # correct ring bond data
199: ok 3409 # correct ring bond data
199: ok 3410 # correct ring bond data
199: ok 3411 # correct ring bond data
199: ok 3412 # correct ring bond data
199: ok 3413 # correct ring bond data
199: ok 3414 # correct ring bond data
199: ok 3415 # SSSR size matches reference
199: ok 3416 # correct SSSR count
199: ok 3417 # ring membership passed
199: ok 3418 # correct SSSR count
199: ok 3419 # ring membership passed
199: ok 3420 # correct SSSR count
199: ok 3421 # ring membership passed
199: ok 3422 # correct SSSR count
199: ok 3423 # ring membership passed
199: ok 3424 # correct SSSR count
199: ok 3425 # ring membership passed
199: ok 3426 # correct SSSR count
199: ok 3427 # ring membership passed
199: ok 3428 # correct SSSR count
199: ok 3429 # ring membership passed
199: ok 3430 # correct SSSR count
199: ok 3431 # ring membership passed
199: ok 3432 # correct SSSR count
199: ok 3433 # ring membership passed
199: ok 3434 # correct SSSR count
199: ok 3435 # ring membership passed
199: ok 3436 # correct SSSR count
199: ok 3437 # ring membership passed
199: ok 3438 # correct SSSR count
199: ok 3439 # ring membership passed
199: ok 3440 # correct SSSR count
199: ok 3441 # ring membership passed
199: ok 3442 # correct SSSR count
199: ok 3443 # ring membership passed
199: ok 3444 # correct SSSR count
199: ok 3445 # ring membership passed
199: ok 3446 # correct SSSR count
199: ok 3447 # ring membership passed
199: ok 3448 # correct SSSR count
199: ok 3449 # ring membership passed
199: ok 3450 # correct SSSR count
199: ok 3451 # ring membership passed
199: ok 3452 # correct SSSR count
199: ok 3453 # ring membership passed
199: ok 3454 # correct SSSR count
199: ok 3455 # ring membership passed
199: ok 3456 # correct ring bond data
199: ok 3457 # correct ring bond data
199: ok 3458 # correct ring bond data
199: ok 3459 # correct ring bond data
199: ok 3460 # correct ring bond data
199: ok 3461 # correct ring bond data
199: ok 3462 # correct ring bond data
199: ok 3463 # correct ring bond data
199: ok 3464 # correct ring bond data
199: ok 3465 # correct ring bond data
199: ok 3466 # correct ring bond data
199: ok 3467 # correct ring bond data
199: ok 3468 # correct ring bond data
199: ok 3469 # correct ring bond data
199: ok 3470 # correct ring bond data
199: ok 3471 # correct ring bond data
199: ok 3472 # correct ring bond data
199: ok 3473 # correct ring bond data
199: ok 3474 # correct ring bond data
199: ok 3475 # correct ring bond data
199: ok 3476 # correct ring bond data
199: ok 3477 # correct ring bond data
199: ok 3478 # SSSR size matches reference
199: ok 3479 # correct SSSR count
199: ok 3480 # ring membership passed
199: ok 3481 # correct SSSR count
199: ok 3482 # ring membership passed
199: ok 3483 # correct SSSR count
199: ok 3484 # ring membership passed
199: ok 3485 # correct SSSR count
199: ok 3486 # ring membership passed
199: ok 3487 # correct SSSR count
199: ok 3488 # ring membership passed
199: ok 3489 # correct SSSR count
199: ok 3490 # ring membership passed
199: ok 3491 # correct SSSR count
199: ok 3492 # ring membership passed
199: ok 3493 # correct SSSR count
199: ok 3494 # ring membership passed
199: ok 3495 # correct SSSR count
199: ok 3496 # ring membership passed
199: ok 3497 # correct SSSR count
199: ok 3498 # ring membership passed
199: ok 3499 # correct SSSR count
199: ok 3500 # ring membership passed
199: ok 3501 # correct SSSR count
199: ok 3502 # ring membership passed
199: ok 3503 # correct SSSR count
199: ok 3504 # ring membership passed
199: ok 3505 # correct SSSR count
199: ok 3506 # ring membership passed
199: ok 3507 # correct SSSR count
199: ok 3508 # ring membership passed
199: ok 3509 # correct SSSR count
199: ok 3510 # ring membership passed
199: ok 3511 # correct SSSR count
199: ok 3512 # ring membership passed
199: ok 3513 # correct SSSR count
199: ok 3514 # ring membership passed
199: ok 3515 # correct SSSR count
199: ok 3516 # ring membership passed
199: ok 3517 # correct SSSR count
199: ok 3518 # ring membership passed
199: ok 3519 # correct SSSR count
199: ok 3520 # ring membership passed
199: ok 3521 # correct ring bond data
199: ok 3522 # correct ring bond data
199: ok 3523 # correct ring bond data
199: ok 3524 # correct ring bond data
199: ok 3525 # correct ring bond data
199: ok 3526 # correct ring bond data
199: ok 3527 # correct ring bond data
199: ok 3528 # correct ring bond data
199: ok 3529 # correct ring bond data
199: ok 3530 # correct ring bond data
199: ok 3531 # correct ring bond data
199: ok 3532 # correct ring bond data
199: ok 3533 # correct ring bond data
199: ok 3534 # correct ring bond data
199: ok 3535 # correct ring bond data
199: ok 3536 # correct ring bond data
199: ok 3537 # correct ring bond data
199: ok 3538 # correct ring bond data
199: ok 3539 # correct ring bond data
199: ok 3540 # correct ring bond data
199: ok 3541 # correct ring bond data
199: ok 3542 # correct ring bond data
199: ok 3543 # correct ring bond data
199: ok 3544 # correct ring bond data
199: ok 3545 # correct ring bond data
199: ok 3546 # correct ring bond data
199: ok 3547 # correct ring bond data
199: ok 3548 # SSSR size matches reference
199: ok 3549 # correct SSSR count
199: ok 3550 # ring membership passed
199: ok 3551 # correct SSSR count
199: ok 3552 # ring membership passed
199: ok 3553 # correct SSSR count
199: ok 3554 # ring membership passed
199: ok 3555 # correct SSSR count
199: ok 3556 # ring membership passed
199: ok 3557 # correct SSSR count
199: ok 3558 # ring membership passed
199: ok 3559 # correct SSSR count
199: ok 3560 # ring membership passed
199: ok 3561 # correct SSSR count
199: ok 3562 # ring membership passed
199: ok 3563 # correct SSSR count
199: ok 3564 # ring membership passed
199: ok 3565 # correct SSSR count
199: ok 3566 # ring membership passed
199: ok 3567 # correct SSSR count
199: ok 3568 # ring membership passed
199: ok 3569 # correct SSSR count
199: ok 3570 # ring membership passed
199: ok 3571 # correct SSSR count
199: ok 3572 # ring membership passed
199: ok 3573 # correct SSSR count
199: ok 3574 # ring membership passed
199: ok 3575 # correct SSSR count
199: ok 3576 # ring membership passed
199: ok 3577 # correct SSSR count
199: ok 3578 # ring membership passed
199: ok 3579 # correct SSSR count
199: ok 3580 # ring membership passed
199: ok 3581 # correct SSSR count
199: ok 3582 # ring membership passed
199: ok 3583 # correct SSSR count
199: ok 3584 # ring membership passed
199: ok 3585 # correct SSSR count
199: ok 3586 # ring membership passed
199: ok 3587 # correct SSSR count
199: ok 3588 # ring membership passed
199: ok 3589 # correct SSSR count
199: ok 3590 # ring membership passed
199: ok 3591 # correct SSSR count
199: ok 3592 # ring membership passed
199: ok 3593 # correct SSSR count
199: ok 3594 # ring membership passed
199: ok 3595 # correct SSSR count
199: ok 3596 # ring membership passed
199: ok 3597 # correct SSSR count
199: ok 3598 # ring membership passed
199: ok 3599 # correct ring bond data
199: ok 3600 # correct ring bond data
199: ok 3601 # correct ring bond data
199: ok 3602 # correct ring bond data
199: ok 3603 # correct ring bond data
199: ok 3604 # correct ring bond data
199: ok 3605 # correct ring bond data
199: ok 3606 # correct ring bond data
199: ok 3607 # correct ring bond data
199: ok 3608 # correct ring bond data
199: ok 3609 # correct ring bond data
199: ok 3610 # correct ring bond data
199: ok 3611 # correct ring bond data
199: ok 3612 # correct ring bond data
199: ok 3613 # SSSR size matches reference
199: ok 3614 # correct SSSR count
199: ok 3615 # ring membership passed
199: ok 3616 # correct SSSR count
199: ok 3617 # ring membership passed
199: ok 3618 # correct SSSR count
199: ok 3619 # ring membership passed
199: ok 3620 # correct SSSR count
199: ok 3621 # ring membership passed
199: ok 3622 # correct SSSR count
199: ok 3623 # ring membership passed
199: ok 3624 # correct SSSR count
199: ok 3625 # ring membership passed
199: ok 3626 # correct SSSR count
199: ok 3627 # ring membership passed
199: ok 3628 # correct SSSR count
199: ok 3629 # ring membership passed
199: ok 3630 # correct SSSR count
199: ok 3631 # ring membership passed
199: ok 3632 # correct SSSR count
199: ok 3633 # ring membership passed
199: ok 3634 # correct SSSR count
199: ok 3635 # ring membership passed
199: ok 3636 # correct SSSR count
199: ok 3637 # ring membership passed
199: ok 3638 # correct SSSR count
199: ok 3639 # ring membership passed
199: ok 3640 # correct SSSR count
199: ok 3641 # ring membership passed
199: ok 3642 # correct ring bond data
199: ok 3643 # correct ring bond data
199: ok 3644 # correct ring bond data
199: ok 3645 # correct ring bond data
199: ok 3646 # correct ring bond data
199: ok 3647 # correct ring bond data
199: ok 3648 # correct ring bond data
199: ok 3649 # correct ring bond data
199: ok 3650 # correct ring bond data
199: ok 3651 # correct ring bond data
199: ok 3652 # correct ring bond data
199: ok 3653 # correct ring bond data
199: ok 3654 # correct ring bond data
199: ok 3655 # correct ring bond data
199: ok 3656 # correct ring bond data
199: ok 3657 # correct ring bond data
199: ok 3658 # correct ring bond data
199: ok 3659 # correct ring bond data
199: ok 3660 # correct ring bond data
199: ok 3661 # correct ring bond data
199: ok 3662 # correct ring bond data
199: ok 3663 # correct ring bond data
199: ok 3664 # SSSR size matches reference
199: ok 3665 # correct SSSR count
199: ok 3666 # ring membership passed
199: ok 3667 # correct SSSR count
199: ok 3668 # ring membership passed
199: ok 3669 # correct SSSR count
199: ok 3670 # ring membership passed
199: ok 3671 # correct SSSR count
199: ok 3672 # ring membership passed
199: ok 3673 # correct SSSR count
199: ok 3674 # ring membership passed
199: ok 3675 # correct SSSR count
199: ok 3676 # ring membership passed
199: ok 3677 # correct SSSR count
199: ok 3678 # ring membership passed
199: ok 3679 # correct SSSR count
199: ok 3680 # ring membership passed
199: ok 3681 # correct SSSR count
199: ok 3682 # ring membership passed
199: ok 3683 # correct SSSR count
199: ok 3684 # ring membership passed
199: ok 3685 # correct SSSR count
199: ok 3686 # ring membership passed
199: ok 3687 # correct SSSR count
199: ok 3688 # ring membership passed
199: ok 3689 # correct SSSR count
199: ok 3690 # ring membership passed
199: ok 3691 # correct SSSR count
199: ok 3692 # ring membership passed
199: ok 3693 # correct SSSR count
199: ok 3694 # ring membership passed
199: ok 3695 # correct SSSR count
199: ok 3696 # ring membership passed
199: ok 3697 # correct SSSR count
199: ok 3698 # ring membership passed
199: ok 3699 # correct SSSR count
199: ok 3700 # ring membership passed
199: ok 3701 # correct SSSR count
199: ok 3702 # ring membership passed
199: ok 3703 # correct SSSR count
199: ok 3704 # ring membership passed
199: ok 3705 # correct SSSR count
199: ok 3706 # ring membership passed
199: ok 3707 # correct SSSR count
199: ok 3708 # ring membership passed
199: ok 3709 # correct ring bond data
199: ok 3710 # correct ring bond data
199: ok 3711 # correct ring bond data
199: ok 3712 # correct ring bond data
199: ok 3713 # correct ring bond data
199: ok 3714 # correct ring bond data
199: ok 3715 # correct ring bond data
199: ok 3716 # correct ring bond data
199: ok 3717 # correct ring bond data
199: ok 3718 # correct ring bond data
199: ok 3719 # correct ring bond data
199: ok 3720 # correct ring bond data
199: ok 3721 # correct ring bond data
199: ok 3722 # SSSR size matches reference
199: ok 3723 # correct SSSR count
199: ok 3724 # ring membership passed
199: ok 3725 # correct SSSR count
199: ok 3726 # ring membership passed
199: ok 3727 # correct SSSR count
199: ok 3728 # ring membership passed
199: ok 3729 # correct SSSR count
199: ok 3730 # ring membership passed
199: ok 3731 # correct SSSR count
199: ok 3732 # ring membership passed
199: ok 3733 # correct SSSR count
199: ok 3734 # ring membership passed
199: ok 3735 # correct SSSR count
199: ok 3736 # ring membership passed
199: ok 3737 # correct SSSR count
199: ok 3738 # ring membership passed
199: ok 3739 # correct SSSR count
199: ok 3740 # ring membership passed
199: ok 3741 # correct SSSR count
199: ok 3742 # ring membership passed
199: ok 3743 # correct SSSR count
199: ok 3744 # ring membership passed
199: ok 3745 # correct SSSR count
199: ok 3746 # ring membership passed
199: ok 3747 # correct SSSR count
199: ok 3748 # ring membership passed
199: ok 3749 # correct SSSR count
199: ok 3750 # ring membership passed
199: ok 3751 # correct ring bond data
199: ok 3752 # correct ring bond data
199: ok 3753 # correct ring bond data
199: ok 3754 # correct ring bond data
199: ok 3755 # correct ring bond data
199: ok 3756 # correct ring bond data
199: ok 3757 # correct ring bond data
199: ok 3758 # correct ring bond data
199: ok 3759 # correct ring bond data
199: ok 3760 # correct ring bond data
199: ok 3761 # correct ring bond data
199: ok 3762 # correct ring bond data
199: ok 3763 # correct ring bond data
199: ok 3764 # correct ring bond data
199: ok 3765 # correct ring bond data
199: ok 3766 # correct ring bond data
199: ok 3767 # correct ring bond data
199: ok 3768 # correct ring bond data
199: ok 3769 # correct ring bond data
199: ok 3770 # correct ring bond data
199: ok 3771 # correct ring bond data
199: ok 3772 # correct ring bond data
199: ok 3773 # correct ring bond data
199: ok 3774 # correct ring bond data
199: ok 3775 # correct ring bond data
199: ok 3776 # correct ring bond data
199: ok 3777 # correct ring bond data
199: ok 3778 # correct ring bond data
199: ok 3779 # correct ring bond data
199: ok 3780 # correct ring bond data
199: ok 3781 # correct ring bond data
199: ok 3782 # SSSR size matches reference
199: ok 3783 # correct SSSR count
199: ok 3784 # ring membership passed
199: ok 3785 # correct SSSR count
199: ok 3786 # ring membership passed
199: ok 3787 # correct SSSR count
199: ok 3788 # ring membership passed
199: ok 3789 # correct SSSR count
199: ok 3790 # ring membership passed
199: ok 3791 # correct SSSR count
199: ok 3792 # ring membership passed
199: ok 3793 # correct SSSR count
199: ok 3794 # ring membership passed
199: ok 3795 # correct SSSR count
199: ok 3796 # ring membership passed
199: ok 3797 # correct SSSR count
199: ok 3798 # ring membership passed
199: ok 3799 # correct SSSR count
199: ok 3800 # ring membership passed
199: ok 3801 # correct SSSR count
199: ok 3802 # ring membership passed
199: ok 3803 # correct SSSR count
199: ok 3804 # ring membership passed
199: ok 3805 # correct SSSR count
199: ok 3806 # ring membership passed
199: ok 3807 # correct SSSR count
199: ok 3808 # ring membership passed
199: ok 3809 # correct SSSR count
199: ok 3810 # ring membership passed
199: ok 3811 # correct SSSR count
199: ok 3812 # ring membership passed
199: ok 3813 # correct SSSR count
199: ok 3814 # ring membership passed
199: ok 3815 # correct SSSR count
199: ok 3816 # ring membership passed
199: ok 3817 # correct SSSR count
199: ok 3818 # ring membership passed
199: ok 3819 # correct SSSR count
199: ok 3820 # ring membership passed
199: ok 3821 # correct SSSR count
199: ok 3822 # ring membership passed
199: ok 3823 # correct SSSR count
199: ok 3824 # ring membership passed
199: ok 3825 # correct SSSR count
199: ok 3826 # ring membership passed
199: ok 3827 # correct SSSR count
199: ok 3828 # ring membership passed
199: ok 3829 # correct SSSR count
199: ok 3830 # ring membership passed
199: ok 3831 # correct SSSR count
199: ok 3832 # ring membership passed
199: ok 3833 # correct SSSR count
199: ok 3834 # ring membership passed
199: ok 3835 # correct SSSR count
199: ok 3836 # ring membership passed
199: ok 3837 # correct SSSR count
199: ok 3838 # ring membership passed
199: ok 3839 # correct ring bond data
199: ok 3840 # correct ring bond data
199: ok 3841 # correct ring bond data
199: ok 3842 # correct ring bond data
199: ok 3843 # correct ring bond data
199: ok 3844 # correct ring bond data
199: ok 3845 # correct ring bond data
199: ok 3846 # correct ring bond data
199: ok 3847 # correct ring bond data
199: ok 3848 # correct ring bond data
199: ok 3849 # correct ring bond data
199: ok 3850 # correct ring bond data
199: ok 3851 # correct ring bond data
199: ok 3852 # correct ring bond data
199: ok 3853 # correct ring bond data
199: ok 3854 # correct ring bond data
199: ok 3855 # correct ring bond data
199: ok 3856 # correct ring bond data
199: ok 3857 # correct ring bond data
199: ok 3858 # correct ring bond data
199: ok 3859 # correct ring bond data
199: ok 3860 # correct ring bond data
199: ok 3861 # correct ring bond data
199: ok 3862 # correct ring bond data
199: ok 3863 # SSSR size matches reference
199: ok 3864 # correct SSSR count
199: ok 3865 # ring membership passed
199: ok 3866 # correct SSSR count
199: ok 3867 # ring membership passed
199: ok 3868 # correct SSSR count
199: ok 3869 # ring membership passed
199: ok 3870 # correct SSSR count
199: ok 3871 # ring membership passed
199: ok 3872 # correct SSSR count
199: ok 3873 # ring membership passed
199: ok 3874 # correct SSSR count
199: ok 3875 # ring membership passed
199: ok 3876 # correct SSSR count
199: ok 3877 # ring membership passed
199: ok 3878 # correct SSSR count
199: ok 3879 # ring membership passed
199: ok 3880 # correct SSSR count
199: ok 3881 # ring membership passed
199: ok 3882 # correct SSSR count
199: ok 3883 # ring membership passed
199: ok 3884 # correct SSSR count
199: ok 3885 # ring membership passed
199: ok 3886 # correct SSSR count
199: ok 3887 # ring membership passed
199: ok 3888 # correct SSSR count
199: ok 3889 # ring membership passed
199: ok 3890 # correct SSSR count
199: ok 3891 # ring membership passed
199: ok 3892 # correct SSSR count
199: ok 3893 # ring membership passed
199: ok 3894 # correct SSSR count
199: ok 3895 # ring membership passed
199: ok 3896 # correct SSSR count
199: ok 3897 # ring membership passed
199: ok 3898 # correct SSSR count
199: ok 3899 # ring membership passed
199: ok 3900 # correct SSSR count
199: ok 3901 # ring membership passed
199: ok 3902 # correct SSSR count
199: ok 3903 # ring membership passed
199: ok 3904 # correct SSSR count
199: ok 3905 # ring membership passed
199: ok 3906 # correct SSSR count
199: ok 3907 # ring membership passed
199: ok 3908 # correct ring bond data
199: ok 3909 # correct ring bond data
199: ok 3910 # correct ring bond data
199: ok 3911 # correct ring bond data
199: ok 3912 # correct ring bond data
199: ok 3913 # correct ring bond data
199: ok 3914 # correct ring bond data
199: ok 3915 # correct ring bond data
199: ok 3916 # correct ring bond data
199: ok 3917 # correct ring bond data
199: ok 3918 # correct ring bond data
199: ok 3919 # correct ring bond data
199: ok 3920 # correct ring bond data
199: ok 3921 # correct ring bond data
199: ok 3922 # correct ring bond data
199: ok 3923 # correct ring bond data
199: ok 3924 # correct ring bond data
199: ok 3925 # correct ring bond data
199: ok 3926 # correct ring bond data
199: ok 3927 # correct ring bond data
199: ok 3928 # correct ring bond data
199: ok 3929 # correct ring bond data
199: ok 3930 # correct ring bond data
199: ok 3931 # SSSR size matches reference
199: ok 3932 # correct SSSR count
199: ok 3933 # ring membership passed
199: ok 3934 # correct SSSR count
199: ok 3935 # ring membership passed
199: ok 3936 # correct SSSR count
199: ok 3937 # ring membership passed
199: ok 3938 # correct SSSR count
199: ok 3939 # ring membership passed
199: ok 3940 # correct SSSR count
199: ok 3941 # ring membership passed
199: ok 3942 # correct SSSR count
199: ok 3943 # ring membership passed
199: ok 3944 # correct SSSR count
199: ok 3945 # ring membership passed
199: ok 3946 # correct SSSR count
199: ok 3947 # ring membership passed
199: ok 3948 # correct SSSR count
199: ok 3949 # ring membership passed
199: ok 3950 # correct SSSR count
199: ok 3951 # ring membership passed
199: ok 3952 # correct SSSR count
199: ok 3953 # ring membership passed
199: ok 3954 # correct SSSR count
199: ok 3955 # ring membership passed
199: ok 3956 # correct SSSR count
199: ok 3957 # ring membership passed
199: ok 3958 # correct SSSR count
199: ok 3959 # ring membership passed
199: ok 3960 # correct SSSR count
199: ok 3961 # ring membership passed
199: ok 3962 # correct SSSR count
199: ok 3963 # ring membership passed
199: ok 3964 # correct SSSR count
199: ok 3965 # ring membership passed
199: ok 3966 # correct SSSR count
199: ok 3967 # ring membership passed
199: ok 3968 # correct SSSR count
199: ok 3969 # ring membership passed
199: ok 3970 # correct SSSR count
199: ok 3971 # ring membership passed
199: ok 3972 # correct SSSR count
199: ok 3973 # ring membership passed
199: ok 3974 # correct ring bond data
199: ok 3975 # correct ring bond data
199: ok 3976 # correct ring bond data
199: ok 3977 # correct ring bond data
199: ok 3978 # correct ring bond data
199: ok 3979 # correct ring bond data
199: ok 3980 # correct ring bond data
199: ok 3981 # correct ring bond data
199: ok 3982 # correct ring bond data
199: ok 3983 # correct ring bond data
199: ok 3984 # correct ring bond data
199: ok 3985 # correct ring bond data
199: ok 3986 # correct ring bond data
199: ok 3987 # SSSR size matches reference
199: ok 3988 # correct SSSR count
199: ok 3989 # ring membership passed
199: ok 3990 # correct SSSR count
199: ok 3991 # ring membership passed
199: ok 3992 # correct SSSR count
199: ok 3993 # ring membership passed
199: ok 3994 # correct SSSR count
199: ok 3995 # ring membership passed
199: ok 3996 # correct SSSR count
199: ok 3997 # ring membership passed
199: ok 3998 # correct SSSR count
199: ok 3999 # ring membership passed
199: ok 4000 # correct SSSR count
199: ok 4001 # ring membership passed
199: ok 4002 # correct SSSR count
199: ok 4003 # ring membership passed
199: ok 4004 # correct SSSR count
199: ok 4005 # ring membership passed
199: ok 4006 # correct SSSR count
199: ok 4007 # ring membership passed
199: ok 4008 # correct SSSR count
199: ok 4009 # ring membership passed
199: ok 4010 # correct SSSR count
199: ok 4011 # ring membership passed
199: ok 4012 # correct SSSR count
199: ok 4013 # ring membership passed
199: ok 4014 # correct ring bond data
199: ok 4015 # correct ring bond data
199: ok 4016 # correct ring bond data
199: ok 4017 # correct ring bond data
199: ok 4018 # correct ring bond data
199: ok 4019 # correct ring bond data
199: ok 4020 # correct ring bond data
199: ok 4021 # correct ring bond data
199: ok 4022 # correct ring bond data
199: ok 4023 # correct ring bond data
199: ok 4024 # correct ring bond data
199: ok 4025 # correct ring bond data
199: ok 4026 # correct ring bond data
199: ok 4027 # correct ring bond data
199: ok 4028 # correct ring bond data
199: ok 4029 # correct ring bond data
199: ok 4030 # correct ring bond data
199: ok 4031 # correct ring bond data
199: ok 4032 # correct ring bond data
199: ok 4033 # correct ring bond data
199: ok 4034 # correct ring bond data
199: ok 4035 # correct ring bond data
199: ok 4036 # correct ring bond data
199: ok 4037 # SSSR size matches reference
199: ok 4038 # correct SSSR count
199: ok 4039 # ring membership passed
199: ok 4040 # correct SSSR count
199: ok 4041 # ring membership passed
199: ok 4042 # correct SSSR count
199: ok 4043 # ring membership passed
199: ok 4044 # correct SSSR count
199: ok 4045 # ring membership passed
199: ok 4046 # correct SSSR count
199: ok 4047 # ring membership passed
199: ok 4048 # correct SSSR count
199: ok 4049 # ring membership passed
199: ok 4050 # correct SSSR count
199: ok 4051 # ring membership passed
199: ok 4052 # correct SSSR count
199: ok 4053 # ring membership passed
199: ok 4054 # correct SSSR count
199: ok 4055 # ring membership passed
199: ok 4056 # correct SSSR count
199: ok 4057 # ring membership passed
199: ok 4058 # correct SSSR count
199: ok 4059 # ring membership passed
199: ok 4060 # correct SSSR count
199: ok 4061 # ring membership passed
199: ok 4062 # correct SSSR count
199: ok 4063 # ring membership passed
199: ok 4064 # correct SSSR count
199: ok 4065 # ring membership passed
199: ok 4066 # correct SSSR count
199: ok 4067 # ring membership passed
199: ok 4068 # correct SSSR count
199: ok 4069 # ring membership passed
199: ok 4070 # correct SSSR count
199: ok 4071 # ring membership passed
199: ok 4072 # correct SSSR count
199: ok 4073 # ring membership passed
199: ok 4074 # correct SSSR count
199: ok 4075 # ring membership passed
199: ok 4076 # correct SSSR count
199: ok 4077 # ring membership passed
199: ok 4078 # correct SSSR count
199: ok 4079 # ring membership passed
199: ok 4080 # correct ring bond data
199: ok 4081 # correct ring bond data
199: ok 4082 # correct ring bond data
199: ok 4083 # correct ring bond data
199: ok 4084 # correct ring bond data
199: ok 4085 # correct ring bond data
199: ok 4086 # correct ring bond data
199: ok 4087 # correct ring bond data
199: ok 4088 # correct ring bond data
199: ok 4089 # correct ring bond data
199: ok 4090 # correct ring bond data
199: ok 4091 # correct ring bond data
199: ok 4092 # correct ring bond data
199: ok 4093 # correct ring bond data
199: ok 4094 # correct ring bond data
199: ok 4095 # correct ring bond data
199: ok 4096 # correct ring bond data
199: ok 4097 # SSSR size matches reference
199: ok 4098 # correct SSSR count
199: ok 4099 # ring membership passed
199: ok 4100 # correct SSSR count
199: ok 4101 # ring membership passed
199: ok 4102 # correct SSSR count
199: ok 4103 # ring membership passed
199: ok 4104 # correct SSSR count
199: ok 4105 # ring membership passed
199: ok 4106 # correct SSSR count
199: ok 4107 # ring membership passed
199: ok 4108 # correct SSSR count
199: ok 4109 # ring membership passed
199: ok 4110 # correct SSSR count
199: ok 4111 # ring membership passed
199: ok 4112 # correct SSSR count
199: ok 4113 # ring membership passed
199: ok 4114 # correct SSSR count
199: ok 4115 # ring membership passed
199: ok 4116 # correct SSSR count
199: ok 4117 # ring membership passed
199: ok 4118 # correct SSSR count
199: ok 4119 # ring membership passed
199: ok 4120 # correct SSSR count
199: ok 4121 # ring membership passed
199: ok 4122 # correct SSSR count
199: ok 4123 # ring membership passed
199: ok 4124 # correct SSSR count
199: ok 4125 # ring membership passed
199: ok 4126 # correct SSSR count
199: ok 4127 # ring membership passed
199: ok 4128 # correct SSSR count
199: ok 4129 # ring membership passed
199: ok 4130 # correct ring bond data
199: ok 4131 # correct ring bond data
199: ok 4132 # correct ring bond data
199: ok 4133 # correct ring bond data
199: ok 4134 # correct ring bond data
199: ok 4135 # correct ring bond data
199: ok 4136 # correct ring bond data
199: ok 4137 # correct ring bond data
199: ok 4138 # correct ring bond data
199: ok 4139 # correct ring bond data
199: ok 4140 # correct ring bond data
199: ok 4141 # correct ring bond data
199: ok 4142 # correct ring bond data
199: ok 4143 # correct ring bond data
199: ok 4144 # correct ring bond data
199: ok 4145 # correct ring bond data
199: ok 4146 # correct ring bond data
199: ok 4147 # correct ring bond data
199: ok 4148 # correct ring bond data
199: ok 4149 # correct ring bond data
199: ok 4150 # correct ring bond data
199: ok 4151 # correct ring bond data
199: ok 4152 # correct ring bond data
199: ok 4153 # correct ring bond data
199: ok 4154 # SSSR size matches reference
199: ok 4155 # correct SSSR count
199: ok 4156 # ring membership passed
199: ok 4157 # correct SSSR count
199: ok 4158 # ring membership passed
199: ok 4159 # correct SSSR count
199: ok 4160 # ring membership passed
199: ok 4161 # correct SSSR count
199: ok 4162 # ring membership passed
199: ok 4163 # correct SSSR count
199: ok 4164 # ring membership passed
199: ok 4165 # correct SSSR count
199: ok 4166 # ring membership passed
199: ok 4167 # correct SSSR count
199: ok 4168 # ring membership passed
199: ok 4169 # correct SSSR count
199: ok 4170 # ring membership passed
199: ok 4171 # correct SSSR count
199: ok 4172 # ring membership passed
199: ok 4173 # correct SSSR count
199: ok 4174 # ring membership passed
199: ok 4175 # correct SSSR count
199: ok 4176 # ring membership passed
199: ok 4177 # correct SSSR count
199: ok 4178 # ring membership passed
199: ok 4179 # correct SSSR count
199: ok 4180 # ring membership passed
199: ok 4181 # correct SSSR count
199: ok 4182 # ring membership passed
199: ok 4183 # correct SSSR count
199: ok 4184 # ring membership passed
199: ok 4185 # correct SSSR count
199: ok 4186 # ring membership passed
199: ok 4187 # correct SSSR count
199: ok 4188 # ring membership passed
199: ok 4189 # correct SSSR count
199: ok 4190 # ring membership passed
199: ok 4191 # correct SSSR count
199: ok 4192 # ring membership passed
199: ok 4193 # correct SSSR count
199: ok 4194 # ring membership passed
199: ok 4195 # correct SSSR count
199: ok 4196 # ring membership passed
199: ok 4197 # correct SSSR count
199: ok 4198 # ring membership passed
199: ok 4199 # correct ring bond data
199: ok 4200 # correct ring bond data
199: ok 4201 # correct ring bond data
199: ok 4202 # correct ring bond data
199: ok 4203 # correct ring bond data
199: ok 4204 # correct ring bond data
199: ok 4205 # correct ring bond data
199: ok 4206 # correct ring bond data
199: ok 4207 # correct ring bond data
199: ok 4208 # correct ring bond data
199: ok 4209 # correct ring bond data
199: ok 4210 # correct ring bond data
199: ok 4211 # correct ring bond data
199: ok 4212 # correct ring bond data
199: ok 4213 # correct ring bond data
199: ok 4214 # correct ring bond data
199: ok 4215 # correct ring bond data
199: ok 4216 # SSSR size matches reference
199: ok 4217 # correct SSSR count
199: ok 4218 # ring membership passed
199: ok 4219 # correct SSSR count
199: ok 4220 # ring membership passed
199: ok 4221 # correct SSSR count
199: ok 4222 # ring membership passed
199: ok 4223 # correct SSSR count
199: ok 4224 # ring membership passed
199: ok 4225 # correct SSSR count
199: ok 4226 # ring membership passed
199: ok 4227 # correct SSSR count
199: ok 4228 # ring membership passed
199: ok 4229 # correct SSSR count
199: ok 4230 # ring membership passed
199: ok 4231 # correct SSSR count
199: ok 4232 # ring membership passed
199: ok 4233 # correct SSSR count
199: ok 4234 # ring membership passed
199: ok 4235 # correct SSSR count
199: ok 4236 # ring membership passed
199: ok 4237 # correct SSSR count
199: ok 4238 # ring membership passed
199: ok 4239 # correct SSSR count
199: ok 4240 # ring membership passed
199: ok 4241 # correct SSSR count
199: ok 4242 # ring membership passed
199: ok 4243 # correct SSSR count
199: ok 4244 # ring membership passed
199: ok 4245 # correct SSSR count
199: ok 4246 # ring membership passed
199: ok 4247 # correct SSSR count
199: ok 4248 # ring membership passed
199: ok 4249 # correct ring bond data
199: ok 4250 # correct ring bond data
199: ok 4251 # correct ring bond data
199: ok 4252 # correct ring bond data
199: ok 4253 # correct ring bond data
199: ok 4254 # correct ring bond data
199: ok 4255 # correct ring bond data
199: ok 4256 # correct ring bond data
199: ok 4257 # correct ring bond data
199: ok 4258 # correct ring bond data
199: ok 4259 # correct ring bond data
199: ok 4260 # correct ring bond data
199: ok 4261 # correct ring bond data
199: ok 4262 # correct ring bond data
199: ok 4263 # correct ring bond data
199: ok 4264 # correct ring bond data
199: ok 4265 # correct ring bond data
199: ok 4266 # correct ring bond data
199: ok 4267 # SSSR size matches reference
199: ok 4268 # correct SSSR count
199: ok 4269 # ring membership passed
199: ok 4270 # correct SSSR count
199: ok 4271 # ring membership passed
199: ok 4272 # correct SSSR count
199: ok 4273 # ring membership passed
199: ok 4274 # correct SSSR count
199: ok 4275 # ring membership passed
199: ok 4276 # correct SSSR count
199: ok 4277 # ring membership passed
199: ok 4278 # correct SSSR count
199: ok 4279 # ring membership passed
199: ok 4280 # correct SSSR count
199: ok 4281 # ring membership passed
199: ok 4282 # correct SSSR count
199: ok 4283 # ring membership passed
199: ok 4284 # correct SSSR count
199: ok 4285 # ring membership passed
199: ok 4286 # correct SSSR count
199: ok 4287 # ring membership passed
199: ok 4288 # correct SSSR count
199: ok 4289 # ring membership passed
199: ok 4290 # correct SSSR count
199: ok 4291 # ring membership passed
199: ok 4292 # correct SSSR count
199: ok 4293 # ring membership passed
199: ok 4294 # correct SSSR count
199: ok 4295 # ring membership passed
199: ok 4296 # correct SSSR count
199: ok 4297 # ring membership passed
199: ok 4298 # correct SSSR count
199: ok 4299 # ring membership passed
199: ok 4300 # correct SSSR count
199: ok 4301 # ring membership passed
199: ok 4302 # correct ring bond data
199: ok 4303 # correct ring bond data
199: ok 4304 # correct ring bond data
199: ok 4305 # correct ring bond data
199: ok 4306 # correct ring bond data
199: ok 4307 # correct ring bond data
199: ok 4308 # correct ring bond data
199: ok 4309 # correct ring bond data
199: ok 4310 # correct ring bond data
199: ok 4311 # correct ring bond data
199: ok 4312 # correct ring bond data
199: ok 4313 # correct ring bond data
199: ok 4314 # correct ring bond data
199: ok 4315 # correct ring bond data
199: ok 4316 # correct ring bond data
199: ok 4317 # correct ring bond data
199: ok 4318 # correct ring bond data
199: ok 4319 # correct ring bond data
199: ok 4320 # correct ring bond data
199: ok 4321 # SSSR size matches reference
199: ok 4322 # correct SSSR count
199: ok 4323 # ring membership passed
199: ok 4324 # correct SSSR count
199: ok 4325 # ring membership passed
199: ok 4326 # correct SSSR count
199: ok 4327 # ring membership passed
199: ok 4328 # correct SSSR count
199: ok 4329 # ring membership passed
199: ok 4330 # correct SSSR count
199: ok 4331 # ring membership passed
199: ok 4332 # correct SSSR count
199: ok 4333 # ring membership passed
199: ok 4334 # correct SSSR count
199: ok 4335 # ring membership passed
199: ok 4336 # correct SSSR count
199: ok 4337 # ring membership passed
199: ok 4338 # correct SSSR count
199: ok 4339 # ring membership passed
199: ok 4340 # correct SSSR count
199: ok 4341 # ring membership passed
199: ok 4342 # correct SSSR count
199: ok 4343 # ring membership passed
199: ok 4344 # correct SSSR count
199: ok 4345 # ring membership passed
199: ok 4346 # correct SSSR count
199: ok 4347 # ring membership passed
199: ok 4348 # correct SSSR count
199: ok 4349 # ring membership passed
199: ok 4350 # correct SSSR count
199: ok 4351 # ring membership passed
199: ok 4352 # correct SSSR count
199: ok 4353 # ring membership passed
199: ok 4354 # correct SSSR count
199: ok 4355 # ring membership passed
199: ok 4356 # correct SSSR count
199: ok 4357 # ring membership passed
199: ok 4358 # correct ring bond data
199: ok 4359 # correct ring bond data
199: ok 4360 # correct ring bond data
199: ok 4361 # correct ring bond data
199: ok 4362 # correct ring bond data
199: ok 4363 # correct ring bond data
199: ok 4364 # correct ring bond data
199: ok 4365 # correct ring bond data
199: ok 4366 # correct ring bond data
199: ok 4367 # correct ring bond data
199: ok 4368 # correct ring bond data
199: ok 4369 # correct ring bond data
199: ok 4370 # correct ring bond data
199: ok 4371 # correct ring bond data
199: ok 4372 # correct ring bond data
199: ok 4373 # correct ring bond data
199: ok 4374 # correct ring bond data
199: ok 4375 # correct ring bond data
199: ok 4376 # correct ring bond data
199: ok 4377 # correct ring bond data
199: ok 4378 # SSSR size matches reference
199: ok 4379 # correct SSSR count
199: ok 4380 # ring membership passed
199: ok 4381 # correct SSSR count
199: ok 4382 # ring membership passed
199: ok 4383 # correct SSSR count
199: ok 4384 # ring membership passed
199: ok 4385 # correct SSSR count
199: ok 4386 # ring membership passed
199: ok 4387 # correct SSSR count
199: ok 4388 # ring membership passed
199: ok 4389 # correct SSSR count
199: ok 4390 # ring membership passed
199: ok 4391 # correct SSSR count
199: ok 4392 # ring membership passed
199: ok 4393 # correct SSSR count
199: ok 4394 # ring membership passed
199: ok 4395 # correct SSSR count
199: ok 4396 # ring membership passed
199: ok 4397 # correct SSSR count
199: ok 4398 # ring membership passed
199: ok 4399 # correct SSSR count
199: ok 4400 # ring membership passed
199: ok 4401 # correct SSSR count
199: ok 4402 # ring membership passed
199: ok 4403 # correct SSSR count
199: ok 4404 # ring membership passed
199: ok 4405 # correct SSSR count
199: ok 4406 # ring membership passed
199: ok 4407 # correct SSSR count
199: ok 4408 # ring membership passed
199: ok 4409 # correct SSSR count
199: ok 4410 # ring membership passed
199: ok 4411 # correct SSSR count
199: ok 4412 # ring membership passed
199: ok 4413 # correct SSSR count
199: ok 4414 # ring membership passed
199: ok 4415 # correct SSSR count
199: ok 4416 # ring membership passed
199: ok 4417 # correct ring bond data
199: ok 4418 # correct ring bond data
199: ok 4419 # correct ring bond data
199: ok 4420 # correct ring bond data
199: ok 4421 # correct ring bond data
199: ok 4422 # correct ring bond data
199: ok 4423 # correct ring bond data
199: ok 4424 # correct ring bond data
199: ok 4425 # correct ring bond data
199: ok 4426 # correct ring bond data
199: ok 4427 # correct ring bond data
199: ok 4428 # correct ring bond data
199: ok 4429 # correct ring bond data
199: ok 4430 # correct ring bond data
199: ok 4431 # correct ring bond data
199: ok 4432 # correct ring bond data
199: ok 4433 # correct ring bond data
199: ok 4434 # correct ring bond data
199: ok 4435 # correct ring bond data
199: ok 4436 # correct ring bond data
199: ok 4437 # SSSR size matches reference
199: ok 4438 # correct SSSR count
199: ok 4439 # ring membership passed
199: ok 4440 # correct SSSR count
199: ok 4441 # ring membership passed
199: ok 4442 # correct SSSR count
199: ok 4443 # ring membership passed
199: ok 4444 # correct SSSR count
199: ok 4445 # ring membership passed
199: ok 4446 # correct SSSR count
199: ok 4447 # ring membership passed
199: ok 4448 # correct SSSR count
199: ok 4449 # ring membership passed
199: ok 4450 # correct SSSR count
199: ok 4451 # ring membership passed
199: ok 4452 # correct SSSR count
199: ok 4453 # ring membership passed
199: ok 4454 # correct SSSR count
199: ok 4455 # ring membership passed
199: ok 4456 # correct SSSR count
199: ok 4457 # ring membership passed
199: ok 4458 # correct SSSR count
199: ok 4459 # ring membership passed
199: ok 4460 # correct SSSR count
199: ok 4461 # ring membership passed
199: ok 4462 # correct SSSR count
199: ok 4463 # ring membership passed
199: ok 4464 # correct SSSR count
199: ok 4465 # ring membership passed
199: ok 4466 # correct SSSR count
199: ok 4467 # ring membership passed
199: ok 4468 # correct SSSR count
199: ok 4469 # ring membership passed
199: ok 4470 # correct SSSR count
199: ok 4471 # ring membership passed
199: ok 4472 # correct SSSR count
199: ok 4473 # ring membership passed
199: ok 4474 # correct SSSR count
199: ok 4475 # ring membership passed
199: ok 4476 # correct ring bond data
199: ok 4477 # correct ring bond data
199: ok 4478 # correct ring bond data
199: ok 4479 # correct ring bond data
199: ok 4480 # correct ring bond data
199: ok 4481 # correct ring bond data
199: ok 4482 # correct ring bond data
199: ok 4483 # correct ring bond data
199: ok 4484 # correct ring bond data
199: ok 4485 # correct ring bond data
199: ok 4486 # correct ring bond data
199: ok 4487 # correct ring bond data
199: ok 4488 # correct ring bond data
199: ok 4489 # correct ring bond data
199: ok 4490 # correct ring bond data
199: ok 4491 # correct ring bond data
199: ok 4492 # correct ring bond data
199: ok 4493 # correct ring bond data
199: ok 4494 # correct ring bond data
199: ok 4495 # correct ring bond data
199: ok 4496 # correct ring bond data
199: ok 4497 # SSSR size matches reference
199: ok 4498 # correct SSSR count
199: ok 4499 # ring membership passed
199: ok 4500 # correct SSSR count
199: ok 4501 # ring membership passed
199: ok 4502 # correct SSSR count
199: ok 4503 # ring membership passed
199: ok 4504 # correct SSSR count
199: ok 4505 # ring membership passed
199: ok 4506 # correct SSSR count
199: ok 4507 # ring membership passed
199: ok 4508 # correct SSSR count
199: ok 4509 # ring membership passed
199: ok 4510 # correct SSSR count
199: ok 4511 # ring membership passed
199: ok 4512 # correct SSSR count
199: ok 4513 # ring membership passed
199: ok 4514 # correct SSSR count
199: ok 4515 # ring membership passed
199: ok 4516 # correct SSSR count
199: ok 4517 # ring membership passed
199: ok 4518 # correct SSSR count
199: ok 4519 # ring membership passed
199: ok 4520 # correct SSSR count
199: ok 4521 # ring membership passed
199: ok 4522 # correct SSSR count
199: ok 4523 # ring membership passed
199: ok 4524 # correct SSSR count
199: ok 4525 # ring membership passed
199: ok 4526 # correct SSSR count
199: ok 4527 # ring membership passed
199: ok 4528 # correct SSSR count
199: ok 4529 # ring membership passed
199: ok 4530 # correct SSSR count
199: ok 4531 # ring membership passed
199: ok 4532 # correct SSSR count
199: ok 4533 # ring membership passed
199: ok 4534 # correct SSSR count
199: ok 4535 # ring membership passed
199: ok 4536 # correct SSSR count
199: ok 4537 # ring membership passed
199: ok 4538 # correct ring bond data
199: ok 4539 # correct ring bond data
199: ok 4540 # correct ring bond data
199: ok 4541 # correct ring bond data
199: ok 4542 # correct ring bond data
199: ok 4543 # correct ring bond data
199: ok 4544 # correct ring bond data
199: ok 4545 # correct ring bond data
199: ok 4546 # correct ring bond data
199: ok 4547 # correct ring bond data
199: ok 4548 # correct ring bond data
199: ok 4549 # correct ring bond data
199: ok 4550 # correct ring bond data
199: ok 4551 # correct ring bond data
199: ok 4552 # correct ring bond data
199: ok 4553 # correct ring bond data
199: ok 4554 # correct ring bond data
199: ok 4555 # correct ring bond data
199: ok 4556 # correct ring bond data
199: ok 4557 # correct ring bond data
199: ok 4558 # correct ring bond data
199: ok 4559 # SSSR size matches reference
199: ok 4560 # correct SSSR count
199: ok 4561 # ring membership passed
199: ok 4562 # correct SSSR count
199: ok 4563 # ring membership passed
199: ok 4564 # correct SSSR count
199: ok 4565 # ring membership passed
199: ok 4566 # correct SSSR count
199: ok 4567 # ring membership passed
199: ok 4568 # correct SSSR count
199: ok 4569 # ring membership passed
199: ok 4570 # correct SSSR count
199: ok 4571 # ring membership passed
199: ok 4572 # correct SSSR count
199: ok 4573 # ring membership passed
199: ok 4574 # correct SSSR count
199: ok 4575 # ring membership passed
199: ok 4576 # correct SSSR count
199: ok 4577 # ring membership passed
199: ok 4578 # correct SSSR count
199: ok 4579 # ring membership passed
199: ok 4580 # correct SSSR count
199: ok 4581 # ring membership passed
199: ok 4582 # correct SSSR count
199: ok 4583 # ring membership passed
199: ok 4584 # correct SSSR count
199: ok 4585 # ring membership passed
199: ok 4586 # correct SSSR count
199: ok 4587 # ring membership passed
199: ok 4588 # correct SSSR count
199: ok 4589 # ring membership passed
199: ok 4590 # correct SSSR count
199: ok 4591 # ring membership passed
199: ok 4592 # correct SSSR count
199: ok 4593 # ring membership passed
199: ok 4594 # correct SSSR count
199: ok 4595 # ring membership passed
199: ok 4596 # correct SSSR count
199: ok 4597 # ring membership passed
199: ok 4598 # correct SSSR count
199: ok 4599 # ring membership passed
199: ok 4600 # correct ring bond data
199: ok 4601 # correct ring bond data
199: ok 4602 # correct ring bond data
199: ok 4603 # correct ring bond data
199: ok 4604 # correct ring bond data
199: ok 4605 # correct ring bond data
199: ok 4606 # correct ring bond data
199: ok 4607 # correct ring bond data
199: ok 4608 # correct ring bond data
199: ok 4609 # correct ring bond data
199: ok 4610 # correct ring bond data
199: ok 4611 # correct ring bond data
199: ok 4612 # correct ring bond data
199: ok 4613 # correct ring bond data
199: ok 4614 # correct ring bond data
199: ok 4615 # correct ring bond data
199: ok 4616 # correct ring bond data
199: ok 4617 # correct ring bond data
199: ok 4618 # correct ring bond data
199: ok 4619 # correct ring bond data
199: ok 4620 # correct ring bond data
199: ok 4621 # SSSR size matches reference
199: ok 4622 # correct SSSR count
199: ok 4623 # ring membership passed
199: ok 4624 # correct SSSR count
199: ok 4625 # ring membership passed
199: ok 4626 # correct SSSR count
199: ok 4627 # ring membership passed
199: ok 4628 # correct SSSR count
199: ok 4629 # ring membership passed
199: ok 4630 # correct SSSR count
199: ok 4631 # ring membership passed
199: ok 4632 # correct SSSR count
199: ok 4633 # ring membership passed
199: ok 4634 # correct SSSR count
199: ok 4635 # ring membership passed
199: ok 4636 # correct SSSR count
199: ok 4637 # ring membership passed
199: ok 4638 # correct SSSR count
199: ok 4639 # ring membership passed
199: ok 4640 # correct SSSR count
199: ok 4641 # ring membership passed
199: ok 4642 # correct SSSR count
199: ok 4643 # ring membership passed
199: ok 4644 # correct SSSR count
199: ok 4645 # ring membership passed
199: ok 4646 # correct SSSR count
199: ok 4647 # ring membership passed
199: ok 4648 # correct SSSR count
199: ok 4649 # ring membership passed
199: ok 4650 # correct SSSR count
199: ok 4651 # ring membership passed
199: ok 4652 # correct SSSR count
199: ok 4653 # ring membership passed
199: ok 4654 # correct SSSR count
199: ok 4655 # ring membership passed
199: ok 4656 # correct SSSR count
199: ok 4657 # ring membership passed
199: ok 4658 # correct SSSR count
199: ok 4659 # ring membership passed
199: ok 4660 # correct SSSR count
199: ok 4661 # ring membership passed
199: ok 4662 # correct ring bond data
199: ok 4663 # correct ring bond data
199: ok 4664 # correct ring bond data
199: ok 4665 # correct ring bond data
199: ok 4666 # correct ring bond data
199: ok 4667 # correct ring bond data
199: ok 4668 # correct ring bond data
199: ok 4669 # correct ring bond data
199: ok 4670 # correct ring bond data
199: ok 4671 # correct ring bond data
199: ok 4672 # correct ring bond data
199: ok 4673 # correct ring bond data
199: ok 4674 # correct ring bond data
199: ok 4675 # correct ring bond data
199: ok 4676 # correct ring bond data
199: ok 4677 # SSSR size matches reference
199: ok 4678 # correct SSSR count
199: ok 4679 # ring membership passed
199: ok 4680 # correct SSSR count
199: ok 4681 # ring membership passed
199: ok 4682 # correct SSSR count
199: ok 4683 # ring membership passed
199: ok 4684 # correct SSSR count
199: ok 4685 # ring membership passed
199: ok 4686 # correct SSSR count
199: ok 4687 # ring membership passed
199: ok 4688 # correct SSSR count
199: ok 4689 # ring membership passed
199: ok 4690 # correct SSSR count
199: ok 4691 # ring membership passed
199: ok 4692 # correct SSSR count
199: ok 4693 # ring membership passed
199: ok 4694 # correct SSSR count
199: ok 4695 # ring membership passed
199: ok 4696 # correct SSSR count
199: ok 4697 # ring membership passed
199: ok 4698 # correct SSSR count
199: ok 4699 # ring membership passed
199: ok 4700 # correct SSSR count
199: ok 4701 # ring membership passed
199: ok 4702 # correct SSSR count
199: ok 4703 # ring membership passed
199: ok 4704 # correct SSSR count
199: ok 4705 # ring membership passed
199: ok 4706 # correct ring bond data
199: ok 4707 # correct ring bond data
199: ok 4708 # correct ring bond data
199: ok 4709 # correct ring bond data
199: ok 4710 # correct ring bond data
199: ok 4711 # correct ring bond data
199: ok 4712 # correct ring bond data
199: ok 4713 # correct ring bond data
199: ok 4714 # correct ring bond data
199: ok 4715 # correct ring bond data
199: ok 4716 # correct ring bond data
199: ok 4717 # correct ring bond data
199: ok 4718 # correct ring bond data
199: ok 4719 # correct ring bond data
199: ok 4720 # correct ring bond data
199: ok 4721 # correct ring bond data
199: ok 4722 # correct ring bond data
199: ok 4723 # correct ring bond data
199: ok 4724 # SSSR size matches reference
199: ok 4725 # correct SSSR count
199: ok 4726 # ring membership passed
199: ok 4727 # correct SSSR count
199: ok 4728 # ring membership passed
199: ok 4729 # correct SSSR count
199: ok 4730 # ring membership passed
199: ok 4731 # correct SSSR count
199: ok 4732 # ring membership passed
199: ok 4733 # correct SSSR count
199: ok 4734 # ring membership passed
199: ok 4735 # correct SSSR count
199: ok 4736 # ring membership passed
199: ok 4737 # correct SSSR count
199: ok 4738 # ring membership passed
199: ok 4739 # correct SSSR count
199: ok 4740 # ring membership passed
199: ok 4741 # correct SSSR count
199: ok 4742 # ring membership passed
199: ok 4743 # correct SSSR count
199: ok 4744 # ring membership passed
199: ok 4745 # correct SSSR count
199: ok 4746 # ring membership passed
199: ok 4747 # correct SSSR count
199: ok 4748 # ring membership passed
199: ok 4749 # correct SSSR count
199: ok 4750 # ring membership passed
199: ok 4751 # correct SSSR count
199: ok 4752 # ring membership passed
199: ok 4753 # correct SSSR count
199: ok 4754 # ring membership passed
199: ok 4755 # correct SSSR count
199: ok 4756 # ring membership passed
199: ok 4757 # correct SSSR count
199: ok 4758 # ring membership passed
199: ok 4759 # correct ring bond data
199: ok 4760 # correct ring bond data
199: ok 4761 # correct ring bond data
199: ok 4762 # correct ring bond data
199: ok 4763 # correct ring bond data
199: ok 4764 # correct ring bond data
199: ok 4765 # correct ring bond data
199: ok 4766 # correct ring bond data
199: ok 4767 # correct ring bond data
199: ok 4768 # correct ring bond data
199: ok 4769 # correct ring bond data
199: ok 4770 # correct ring bond data
199: ok 4771 # correct ring bond data
199: ok 4772 # correct ring bond data
199: ok 4773 # correct ring bond data
199: ok 4774 # correct ring bond data
199: ok 4775 # correct ring bond data
199: ok 4776 # correct ring bond data
199: ok 4777 # SSSR size matches reference
199: ok 4778 # correct SSSR count
199: ok 4779 # ring membership passed
199: ok 4780 # correct SSSR count
199: ok 4781 # ring membership passed
199: ok 4782 # correct SSSR count
199: ok 4783 # ring membership passed
199: ok 4784 # correct SSSR count
199: ok 4785 # ring membership passed
199: ok 4786 # correct SSSR count
199: ok 4787 # ring membership passed
199: ok 4788 # correct SSSR count
199: ok 4789 # ring membership passed
199: ok 4790 # correct SSSR count
199: ok 4791 # ring membership passed
199: ok 4792 # correct SSSR count
199: ok 4793 # ring membership passed
199: ok 4794 # correct SSSR count
199: ok 4795 # ring membership passed
199: ok 4796 # correct SSSR count
199: ok 4797 # ring membership passed
199: ok 4798 # correct SSSR count
199: ok 4799 # ring membership passed
199: ok 4800 # correct SSSR count
199: ok 4801 # ring membership passed
199: ok 4802 # correct SSSR count
199: ok 4803 # ring membership passed
199: ok 4804 # correct SSSR count
199: ok 4805 # ring membership passed
199: ok 4806 # correct SSSR count
199: ok 4807 # ring membership passed
199: ok 4808 # correct SSSR count
199: ok 4809 # ring membership passed
199: ok 4810 # correct SSSR count
199: ok 4811 # ring membership passed
199: ok 4812 # correct ring bond data
199: ok 4813 # correct ring bond data
199: ok 4814 # correct ring bond data
199: ok 4815 # correct ring bond data
199: ok 4816 # correct ring bond data
199: ok 4817 # correct ring bond data
199: ok 4818 # correct ring bond data
199: ok 4819 # correct ring bond data
199: ok 4820 # correct ring bond data
199: ok 4821 # correct ring bond data
199: ok 4822 # correct ring bond data
199: ok 4823 # correct ring bond data
199: ok 4824 # correct ring bond data
199: ok 4825 # correct ring bond data
199: ok 4826 # correct ring bond data
199: ok 4827 # correct ring bond data
199: ok 4828 # correct ring bond data
199: ok 4829 # correct ring bond data
199: ok 4830 # correct ring bond data
199: ok 4831 # correct ring bond data
199: ok 4832 # SSSR size matches reference
199: ok 4833 # correct SSSR count
199: ok 4834 # ring membership passed
199: ok 4835 # correct SSSR count
199: ok 4836 # ring membership passed
199: ok 4837 # correct SSSR count
199: ok 4838 # ring membership passed
199: ok 4839 # correct SSSR count
199: ok 4840 # ring membership passed
199: ok 4841 # correct SSSR count
199: ok 4842 # ring membership passed
199: ok 4843 # correct SSSR count
199: ok 4844 # ring membership passed
199: ok 4845 # correct SSSR count
199: ok 4846 # ring membership passed
199: ok 4847 # correct SSSR count
199: ok 4848 # ring membership passed
199: ok 4849 # correct SSSR count
199: ok 4850 # ring membership passed
199: ok 4851 # correct SSSR count
199: ok 4852 # ring membership passed
199: ok 4853 # correct SSSR count
199: ok 4854 # ring membership passed
199: ok 4855 # correct SSSR count
199: ok 4856 # ring membership passed
199: ok 4857 # correct SSSR count
199: ok 4858 # ring membership passed
199: ok 4859 # correct SSSR count
199: ok 4860 # ring membership passed
199: ok 4861 # correct SSSR count
199: ok 4862 # ring membership passed
199: ok 4863 # correct SSSR count
199: ok 4864 # ring membership passed
199: ok 4865 # correct SSSR count
199: ok 4866 # ring membership passed
199: ok 4867 # correct SSSR count
199: ok 4868 # ring membership passed
199: ok 4869 # correct SSSR count
199: ok 4870 # ring membership passed
199: ok 4871 # correct ring bond data
199: ok 4872 # correct ring bond data
199: ok 4873 # correct ring bond data
199: ok 4874 # correct ring bond data
199: ok 4875 # correct ring bond data
199: ok 4876 # correct ring bond data
199: ok 4877 # correct ring bond data
199: ok 4878 # correct ring bond data
199: ok 4879 # correct ring bond data
199: ok 4880 # correct ring bond data
199: ok 4881 # correct ring bond data
199: ok 4882 # correct ring bond data
199: ok 4883 # correct ring bond data
199: ok 4884 # correct ring bond data
199: ok 4885 # correct ring bond data
199: ok 4886 # correct ring bond data
199: ok 4887 # correct ring bond data
199: ok 4888 # correct ring bond data
199: ok 4889 # correct ring bond data
199: ok 4890 # correct ring bond data
199: ok 4891 # correct ring bond data
199: ok 4892 # SSSR size matches reference
199: ok 4893 # correct SSSR count
199: ok 4894 # ring membership passed
199: ok 4895 # correct SSSR count
199: ok 4896 # ring membership passed
199: ok 4897 # correct SSSR count
199: ok 4898 # ring membership passed
199: ok 4899 # correct SSSR count
199: ok 4900 # ring membership passed
199: ok 4901 # correct SSSR count
199: ok 4902 # ring membership passed
199: ok 4903 # correct SSSR count
199: ok 4904 # ring membership passed
199: ok 4905 # correct SSSR count
199: ok 4906 # ring membership passed
199: ok 4907 # correct SSSR count
199: ok 4908 # ring membership passed
199: ok 4909 # correct SSSR count
199: ok 4910 # ring membership passed
199: ok 4911 # correct SSSR count
199: ok 4912 # ring membership passed
199: ok 4913 # correct SSSR count
199: ok 4914 # ring membership passed
199: ok 4915 # correct SSSR count
199: ok 4916 # ring membership passed
199: ok 4917 # correct SSSR count
199: ok 4918 # ring membership passed
199: ok 4919 # correct SSSR count
199: ok 4920 # ring membership passed
199: ok 4921 # correct SSSR count
199: ok 4922 # ring membership passed
199: ok 4923 # correct SSSR count
199: ok 4924 # ring membership passed
199: ok 4925 # correct SSSR count
199: ok 4926 # ring membership passed
199: ok 4927 # correct SSSR count
199: ok 4928 # ring membership passed
199: ok 4929 # correct SSSR count
199: ok 4930 # ring membership passed
199: ok 4931 # correct SSSR count
199: ok 4932 # ring membership passed
199: ok 4933 # correct ring bond data
199: ok 4934 # correct ring bond data
199: ok 4935 # correct ring bond data
199: ok 4936 # correct ring bond data
199: ok 4937 # correct ring bond data
199: ok 4938 # correct ring bond data
199: ok 4939 # correct ring bond data
199: ok 4940 # correct ring bond data
199: ok 4941 # correct ring bond data
199: ok 4942 # correct ring bond data
199: ok 4943 # correct ring bond data
199: ok 4944 # correct ring bond data
199: ok 4945 # correct ring bond data
199: ok 4946 # correct ring bond data
199: ok 4947 # correct ring bond data
199: ok 4948 # correct ring bond data
199: ok 4949 # correct ring bond data
199: ok 4950 # correct ring bond data
199: ok 4951 # correct ring bond data
199: ok 4952 # SSSR size matches reference
199: ok 4953 # correct SSSR count
199: ok 4954 # ring membership passed
199: ok 4955 # correct SSSR count
199: ok 4956 # ring membership passed
199: ok 4957 # correct SSSR count
199: ok 4958 # ring membership passed
199: ok 4959 # correct SSSR count
199: ok 4960 # ring membership passed
199: ok 4961 # correct SSSR count
199: ok 4962 # ring membership passed
199: ok 4963 # correct SSSR count
199: ok 4964 # ring membership passed
199: ok 4965 # correct SSSR count
199: ok 4966 # ring membership passed
199: ok 4967 # correct SSSR count
199: ok 4968 # ring membership passed
199: ok 4969 # correct SSSR count
199: ok 4970 # ring membership passed
199: ok 4971 # correct SSSR count
199: ok 4972 # ring membership passed
199: ok 4973 # correct SSSR count
199: ok 4974 # ring membership passed
199: ok 4975 # correct SSSR count
199: ok 4976 # ring membership passed
199: ok 4977 # correct SSSR count
199: ok 4978 # ring membership passed
199: ok 4979 # correct SSSR count
199: ok 4980 # ring membership passed
199: ok 4981 # correct SSSR count
199: ok 4982 # ring membership passed
199: ok 4983 # correct SSSR count
199: ok 4984 # ring membership passed
199: ok 4985 # correct SSSR count
199: ok 4986 # ring membership passed
199: ok 4987 # correct SSSR count
199: ok 4988 # ring membership passed
199: ok 4989 # correct ring bond data
199: ok 4990 # correct ring bond data
199: ok 4991 # correct ring bond data
199: ok 4992 # correct ring bond data
199: ok 4993 # correct ring bond data
199: ok 4994 # correct ring bond data
199: ok 4995 # correct ring bond data
199: ok 4996 # correct ring bond data
199: ok 4997 # correct ring bond data
199: ok 4998 # correct ring bond data
199: ok 4999 # correct ring bond data
199: ok 5000 # correct ring bond data
199: ok 5001 # correct ring bond data
199: ok 5002 # correct ring bond data
199: ok 5003 # correct ring bond data
199: ok 5004 # correct ring bond data
199: ok 5005 # correct ring bond data
199: ok 5006 # correct ring bond data
199: ok 5007 # correct ring bond data
199: ok 5008 # SSSR size matches reference
199: ok 5009 # correct SSSR count
199: ok 5010 # ring membership passed
199: ok 5011 # correct SSSR count
199: ok 5012 # ring membership passed
199: ok 5013 # correct SSSR count
199: ok 5014 # ring membership passed
199: ok 5015 # correct SSSR count
199: ok 5016 # ring membership passed
199: ok 5017 # correct SSSR count
199: ok 5018 # ring membership passed
199: ok 5019 # correct SSSR count
199: ok 5020 # ring membership passed
199: ok 5021 # correct SSSR count
199: ok 5022 # ring membership passed
199: ok 5023 # correct SSSR count
199: ok 5024 # ring membership passed
199: ok 5025 # correct SSSR count
199: ok 5026 # ring membership passed
199: ok 5027 # correct SSSR count
199: ok 5028 # ring membership passed
199: ok 5029 # correct SSSR count
199: ok 5030 # ring membership passed
199: ok 5031 # correct SSSR count
199: ok 5032 # ring membership passed
199: ok 5033 # correct SSSR count
199: ok 5034 # ring membership passed
199: ok 5035 # correct SSSR count
199: ok 5036 # ring membership passed
199: ok 5037 # correct SSSR count
199: ok 5038 # ring membership passed
199: ok 5039 # correct SSSR count
199: ok 5040 # ring membership passed
199: ok 5041 # correct SSSR count
199: ok 5042 # ring membership passed
199: ok 5043 # correct SSSR count
199: ok 5044 # ring membership passed
199: ok 5045 # correct ring bond data
199: ok 5046 # correct ring bond data
199: ok 5047 # correct ring bond data
199: ok 5048 # correct ring bond data
199: ok 5049 # correct ring bond data
199: ok 5050 # correct ring bond data
199: ok 5051 # correct ring bond data
199: ok 5052 # correct ring bond data
199: ok 5053 # correct ring bond data
199: ok 5054 # correct ring bond data
199: ok 5055 # correct ring bond data
199: ok 5056 # correct ring bond data
199: ok 5057 # correct ring bond data
199: ok 5058 # correct ring bond data
199: ok 5059 # correct ring bond data
199: ok 5060 # correct ring bond data
199: ok 5061 # correct ring bond data
199: ok 5062 # correct ring bond data
199: ok 5063 # correct ring bond data
199: ok 5064 # correct ring bond data
199: ok 5065 # SSSR size matches reference
199: ok 5066 # correct SSSR count
199: ok 5067 # ring membership passed
199: ok 5068 # correct SSSR count
199: ok 5069 # ring membership passed
199: ok 5070 # correct SSSR count
199: ok 5071 # ring membership passed
199: ok 5072 # correct SSSR count
199: ok 5073 # ring membership passed
199: ok 5074 # correct SSSR count
199: ok 5075 # ring membership passed
199: ok 5076 # correct SSSR count
199: ok 5077 # ring membership passed
199: ok 5078 # correct SSSR count
199: ok 5079 # ring membership passed
199: ok 5080 # correct SSSR count
199: ok 5081 # ring membership passed
199: ok 5082 # correct SSSR count
199: ok 5083 # ring membership passed
199: ok 5084 # correct SSSR count
199: ok 5085 # ring membership passed
199: ok 5086 # correct SSSR count
199: ok 5087 # ring membership passed
199: ok 5088 # correct SSSR count
199: ok 5089 # ring membership passed
199: ok 5090 # correct SSSR count
199: ok 5091 # ring membership passed
199: ok 5092 # correct SSSR count
199: ok 5093 # ring membership passed
199: ok 5094 # correct SSSR count
199: ok 5095 # ring membership passed
199: ok 5096 # correct SSSR count
199: ok 5097 # ring membership passed
199: ok 5098 # correct SSSR count
199: ok 5099 # ring membership passed
199: ok 5100 # correct SSSR count
199: ok 5101 # ring membership passed
199: ok 5102 # correct SSSR count
199: ok 5103 # ring membership passed
199: ok 5104 # correct ring bond data
199: ok 5105 # correct ring bond data
199: ok 5106 # correct ring bond data
199: ok 5107 # correct ring bond data
199: ok 5108 # correct ring bond data
199: ok 5109 # correct ring bond data
199: ok 5110 # correct ring bond data
199: ok 5111 # correct ring bond data
199: ok 5112 # correct ring bond data
199: ok 5113 # correct ring bond data
199: ok 5114 # correct ring bond data
199: ok 5115 # correct ring bond data
199: ok 5116 # correct ring bond data
199: ok 5117 # correct ring bond data
199: ok 5118 # correct ring bond data
199: ok 5119 # correct ring bond data
199: ok 5120 # correct ring bond data
199: ok 5121 # correct ring bond data
199: ok 5122 # correct ring bond data
199: ok 5123 # SSSR size matches reference
199: ok 5124 # correct SSSR count
199: ok 5125 # ring membership passed
199: ok 5126 # correct SSSR count
199: ok 5127 # ring membership passed
199: ok 5128 # correct SSSR count
199: ok 5129 # ring membership passed
199: ok 5130 # correct SSSR count
199: ok 5131 # ring membership passed
199: ok 5132 # correct SSSR count
199: ok 5133 # ring membership passed
199: ok 5134 # correct SSSR count
199: ok 5135 # ring membership passed
199: ok 5136 # correct SSSR count
199: ok 5137 # ring membership passed
199: ok 5138 # correct SSSR count
199: ok 5139 # ring membership passed
199: ok 5140 # correct SSSR count
199: ok 5141 # ring membership passed
199: ok 5142 # correct SSSR count
199: ok 5143 # ring membership passed
199: ok 5144 # correct SSSR count
199: ok 5145 # ring membership passed
199: ok 5146 # correct SSSR count
199: ok 5147 # ring membership passed
199: ok 5148 # correct SSSR count
199: ok 5149 # ring membership passed
199: ok 5150 # correct SSSR count
199: ok 5151 # ring membership passed
199: ok 5152 # correct SSSR count
199: ok 5153 # ring membership passed
199: ok 5154 # correct SSSR count
199: ok 5155 # ring membership passed
199: ok 5156 # correct SSSR count
199: ok 5157 # ring membership passed
199: ok 5158 # correct SSSR count
199: ok 5159 # ring membership passed
199: ok 5160 # correct ring bond data
199: ok 5161 # correct ring bond data
199: ok 5162 # correct ring bond data
199: ok 5163 # correct ring bond data
199: ok 5164 # correct ring bond data
199: ok 5165 # correct ring bond data
199: ok 5166 # correct ring bond data
199: ok 5167 # correct ring bond data
199: ok 5168 # correct ring bond data
199: ok 5169 # correct ring bond data
199: ok 5170 # correct ring bond data
199: ok 5171 # correct ring bond data
199: ok 5172 # correct ring bond data
199: ok 5173 # correct ring bond data
199: ok 5174 # correct ring bond data
199: ok 5175 # correct ring bond data
199: ok 5176 # correct ring bond data
199: ok 5177 # correct ring bond data
199: ok 5178 # correct ring bond data
199: ok 5179 # correct ring bond data
199: ok 5180 # correct ring bond data
199: ok 5181 # SSSR size matches reference
199: ok 5182 # correct SSSR count
199: ok 5183 # ring membership passed
199: ok 5184 # correct SSSR count
199: ok 5185 # ring membership passed
199: ok 5186 # correct SSSR count
199: ok 5187 # ring membership passed
199: ok 5188 # correct SSSR count
199: ok 5189 # ring membership passed
199: ok 5190 # correct SSSR count
199: ok 5191 # ring membership passed
199: ok 5192 # correct SSSR count
199: ok 5193 # ring membership passed
199: ok 5194 # correct SSSR count
199: ok 5195 # ring membership passed
199: ok 5196 # correct SSSR count
199: ok 5197 # ring membership passed
199: ok 5198 # correct SSSR count
199: ok 5199 # ring membership passed
199: ok 5200 # correct SSSR count
199: ok 5201 # ring membership passed
199: ok 5202 # correct SSSR count
199: ok 5203 # ring membership passed
199: ok 5204 # correct SSSR count
199: ok 5205 # ring membership passed
199: ok 5206 # correct SSSR count
199: ok 5207 # ring membership passed
199: ok 5208 # correct SSSR count
199: ok 5209 # ring membership passed
199: ok 5210 # correct SSSR count
199: ok 5211 # ring membership passed
199: ok 5212 # correct SSSR count
199: ok 5213 # ring membership passed
199: ok 5214 # correct SSSR count
199: ok 5215 # ring membership passed
199: ok 5216 # correct SSSR count
199: ok 5217 # ring membership passed
199: ok 5218 # correct SSSR count
199: ok 5219 # ring membership passed
199: ok 5220 # correct SSSR count
199: ok 5221 # ring membership passed
199: ok 5222 # correct ring bond data
199: ok 5223 # correct ring bond data
199: ok 5224 # correct ring bond data
199: ok 5225 # correct ring bond data
199: ok 5226 # correct ring bond data
199: ok 5227 # correct ring bond data
199: ok 5228 # correct ring bond data
199: ok 5229 # correct ring bond data
199: ok 5230 # correct ring bond data
199: ok 5231 # correct ring bond data
199: ok 5232 # correct ring bond data
199: ok 5233 # correct ring bond data
199: ok 5234 # SSSR size matches reference
199: ok 5235 # correct SSSR count
199: ok 5236 # ring membership passed
199: ok 5237 # correct SSSR count
199: ok 5238 # ring membership passed
199: ok 5239 # correct SSSR count
199: ok 5240 # ring membership passed
199: ok 5241 # correct SSSR count
199: ok 5242 # ring membership passed
199: ok 5243 # correct SSSR count
199: ok 5244 # ring membership passed
199: ok 5245 # correct SSSR count
199: ok 5246 # ring membership passed
199: ok 5247 # correct SSSR count
199: ok 5248 # ring membership passed
199: ok 5249 # correct SSSR count
199: ok 5250 # ring membership passed
199: ok 5251 # correct SSSR count
199: ok 5252 # ring membership passed
199: ok 5253 # correct SSSR count
199: ok 5254 # ring membership passed
199: ok 5255 # correct SSSR count
199: ok 5256 # ring membership passed
199: ok 5257 # correct SSSR count
199: ok 5258 # ring membership passed
199: ok 5259 # correct ring bond data
199: ok 5260 # correct ring bond data
199: ok 5261 # correct ring bond data
199: ok 5262 # correct ring bond data
199: ok 5263 # correct ring bond data
199: ok 5264 # correct ring bond data
199: ok 5265 # correct ring bond data
199: ok 5266 # correct ring bond data
199: ok 5267 # correct ring bond data
199: ok 5268 # correct ring bond data
199: ok 5269 # correct ring bond data
199: ok 5270 # correct ring bond data
199: ok 5271 # SSSR size matches reference
199: ok 5272 # correct SSSR count
199: ok 5273 # ring membership passed
199: ok 5274 # correct SSSR count
199: ok 5275 # ring membership passed
199: ok 5276 # correct SSSR count
199: ok 5277 # ring membership passed
199: ok 5278 # correct SSSR count
199: ok 5279 # ring membership passed
199: ok 5280 # correct SSSR count
199: ok 5281 # ring membership passed
199: ok 5282 # correct SSSR count
199: ok 5283 # ring membership passed
199: ok 5284 # correct SSSR count
199: ok 5285 # ring membership passed
199: ok 5286 # correct SSSR count
199: ok 5287 # ring membership passed
199: ok 5288 # correct SSSR count
199: ok 5289 # ring membership passed
199: ok 5290 # correct SSSR count
199: ok 5291 # ring membership passed
199: ok 5292 # correct SSSR count
199: ok 5293 # ring membership passed
199: ok 5294 # correct SSSR count
199: ok 5295 # ring membership passed
199: ok 5296 # correct ring bond data
199: ok 5297 # correct ring bond data
199: ok 5298 # correct ring bond data
199: ok 5299 # correct ring bond data
199: ok 5300 # correct ring bond data
199: ok 5301 # correct ring bond data
199: ok 5302 # correct ring bond data
199: ok 5303 # correct ring bond data
199: ok 5304 # correct ring bond data
199: ok 5305 # correct ring bond data
199: ok 5306 # correct ring bond data
199: ok 5307 # correct ring bond data
199: ok 5308 # correct ring bond data
199: ok 5309 # correct ring bond data
199: ok 5310 # correct ring bond data
199: ok 5311 # correct ring bond data
199: ok 5312 # correct ring bond data
199: ok 5313 # correct ring bond data
199: ok 5314 # correct ring bond data
199: ok 5315 # correct ring bond data
199: ok 5316 # correct ring bond data
199: ok 5317 # SSSR size matches reference
199: ok 5318 # correct SSSR count
199: ok 5319 # ring membership passed
199: ok 5320 # correct SSSR count
199: ok 5321 # ring membership passed
199: ok 5322 # correct SSSR count
199: ok 5323 # ring membership passed
199: ok 5324 # correct SSSR count
199: ok 5325 # ring membership passed
199: ok 5326 # correct SSSR count
199: ok 5327 # ring membership passed
199: ok 5328 # correct SSSR count
199: ok 5329 # ring membership passed
199: ok 5330 # correct SSSR count
199: ok 5331 # ring membership passed
199: ok 5332 # correct SSSR count
199: ok 5333 # ring membership passed
199: ok 5334 # correct SSSR count
199: ok 5335 # ring membership passed
199: ok 5336 # correct SSSR count
199: ok 5337 # ring membership passed
199: ok 5338 # correct SSSR count
199: ok 5339 # ring membership passed
199: ok 5340 # correct SSSR count
199: ok 5341 # ring membership passed
199: ok 5342 # correct SSSR count
199: ok 5343 # ring membership passed
199: ok 5344 # correct SSSR count
199: ok 5345 # ring membership passed
199: ok 5346 # correct SSSR count
199: ok 5347 # ring membership passed
199: ok 5348 # correct SSSR count
199: ok 5349 # ring membership passed
199: ok 5350 # correct SSSR count
199: ok 5351 # ring membership passed
199: ok 5352 # correct SSSR count
199: ok 5353 # ring membership passed
199: ok 5354 # correct SSSR count
199: ok 5355 # ring membership passed
199: ok 5356 # correct SSSR count
199: ok 5357 # ring membership passed
199: ok 5358 # correct ring bond data
199: ok 5359 # correct ring bond data
199: ok 5360 # correct ring bond data
199: ok 5361 # correct ring bond data
199: ok 5362 # correct ring bond data
199: ok 5363 # correct ring bond data
199: ok 5364 # correct ring bond data
199: ok 5365 # correct ring bond data
199: ok 5366 # correct ring bond data
199: ok 5367 # correct ring bond data
199: ok 5368 # correct ring bond data
199: ok 5369 # correct ring bond data
199: ok 5370 # correct ring bond data
199: ok 5371 # correct ring bond data
199: ok 5372 # correct ring bond data
199: ok 5373 # correct ring bond data
199: ok 5374 # correct ring bond data
199: ok 5375 # correct ring bond data
199: ok 5376 # correct ring bond data
199: ok 5377 # correct ring bond data
199: ok 5378 # correct ring bond data
199: ok 5379 # SSSR size matches reference
199: ok 5380 # correct SSSR count
199: ok 5381 # ring membership passed
199: ok 5382 # correct SSSR count
199: ok 5383 # ring membership passed
199: ok 5384 # correct SSSR count
199: ok 5385 # ring membership passed
199: ok 5386 # correct SSSR count
199: ok 5387 # ring membership passed
199: ok 5388 # correct SSSR count
199: ok 5389 # ring membership passed
199: ok 5390 # correct SSSR count
199: ok 5391 # ring membership passed
199: ok 5392 # correct SSSR count
199: ok 5393 # ring membership passed
199: ok 5394 # correct SSSR count
199: ok 5395 # ring membership passed
199: ok 5396 # correct SSSR count
199: ok 5397 # ring membership passed
199: ok 5398 # correct SSSR count
199: ok 5399 # ring membership passed
199: ok 5400 # correct SSSR count
199: ok 5401 # ring membership passed
199: ok 5402 # correct SSSR count
199: ok 5403 # ring membership passed
199: ok 5404 # correct SSSR count
199: ok 5405 # ring membership passed
199: ok 5406 # correct SSSR count
199: ok 5407 # ring membership passed
199: ok 5408 # correct SSSR count
199: ok 5409 # ring membership passed
199: ok 5410 # correct SSSR count
199: ok 5411 # ring membership passed
199: ok 5412 # correct SSSR count
199: ok 5413 # ring membership passed
199: ok 5414 # correct SSSR count
199: ok 5415 # ring membership passed
199: ok 5416 # correct SSSR count
199: ok 5417 # ring membership passed
199: ok 5418 # correct SSSR count
199: ok 5419 # ring membership passed
199: ok 5420 # correct ring bond data
199: ok 5421 # correct ring bond data
199: ok 5422 # correct ring bond data
199: ok 5423 # correct ring bond data
199: ok 5424 # correct ring bond data
199: ok 5425 # correct ring bond data
199: ok 5426 # correct ring bond data
199: ok 5427 # correct ring bond data
199: ok 5428 # correct ring bond data
199: ok 5429 # correct ring bond data
199: ok 5430 # correct ring bond data
199: ok 5431 # correct ring bond data
199: ok 5432 # correct ring bond data
199: ok 5433 # correct ring bond data
199: ok 5434 # correct ring bond data
199: ok 5435 # SSSR size matches reference
199: ok 5436 # correct SSSR count
199: ok 5437 # ring membership passed
199: ok 5438 # correct SSSR count
199: ok 5439 # ring membership passed
199: ok 5440 # correct SSSR count
199: ok 5441 # ring membership passed
199: ok 5442 # correct SSSR count
199: ok 5443 # ring membership passed
199: ok 5444 # correct SSSR count
199: ok 5445 # ring membership passed
199: ok 5446 # correct SSSR count
199: ok 5447 # ring membership passed
199: ok 5448 # correct SSSR count
199: ok 5449 # ring membership passed
199: ok 5450 # correct SSSR count
199: ok 5451 # ring membership passed
199: ok 5452 # correct SSSR count
199: ok 5453 # ring membership passed
199: ok 5454 # correct SSSR count
199: ok 5455 # ring membership passed
199: ok 5456 # correct SSSR count
199: ok 5457 # ring membership passed
199: ok 5458 # correct SSSR count
199: ok 5459 # ring membership passed
199: ok 5460 # correct SSSR count
199: ok 5461 # ring membership passed
199: ok 5462 # correct SSSR count
199: ok 5463 # ring membership passed
199: ok 5464 # correct SSSR count
199: ok 5465 # ring membership passed
199: ok 5466 # correct ring bond data
199: ok 5467 # correct ring bond data
199: ok 5468 # correct ring bond data
199: ok 5469 # correct ring bond data
199: ok 5470 # correct ring bond data
199: ok 5471 # correct ring bond data
199: ok 5472 # correct ring bond data
199: ok 5473 # correct ring bond data
199: ok 5474 # correct ring bond data
199: ok 5475 # correct ring bond data
199: ok 5476 # correct ring bond data
199: ok 5477 # correct ring bond data
199: ok 5478 # correct ring bond data
199: ok 5479 # correct ring bond data
199: ok 5480 # correct ring bond data
199: ok 5481 # correct ring bond data
199: ok 5482 # correct ring bond data
199: ok 5483 # correct ring bond data
199: ok 5484 # correct ring bond data
199: ok 5485 # SSSR size matches reference
199: ok 5486 # correct SSSR count
199: ok 5487 # ring membership passed
199: ok 5488 # correct SSSR count
199: ok 5489 # ring membership passed
199: ok 5490 # correct SSSR count
199: ok 5491 # ring membership passed
199: ok 5492 # correct SSSR count
199: ok 5493 # ring membership passed
199: ok 5494 # correct SSSR count
199: ok 5495 # ring membership passed
199: ok 5496 # correct SSSR count
199: ok 5497 # ring membership passed
199: ok 5498 # correct SSSR count
199: ok 5499 # ring membership passed
199: ok 5500 # correct SSSR count
199: ok 5501 # ring membership passed
199: ok 5502 # correct SSSR count
199: ok 5503 # ring membership passed
199: ok 5504 # correct SSSR count
199: ok 5505 # ring membership passed
199: ok 5506 # correct SSSR count
199: ok 5507 # ring membership passed
199: ok 5508 # correct SSSR count
199: ok 5509 # ring membership passed
199: ok 5510 # correct SSSR count
199: ok 5511 # ring membership passed
199: ok 5512 # correct SSSR count
199: ok 5513 # ring membership passed
199: ok 5514 # correct SSSR count
199: ok 5515 # ring membership passed
199: ok 5516 # correct SSSR count
199: ok 5517 # ring membership passed
199: ok 5518 # correct SSSR count
199: ok 5519 # ring membership passed
199: ok 5520 # correct SSSR count
199: ok 5521 # ring membership passed
199: ok 5522 # correct SSSR count
199: ok 5523 # ring membership passed
199: ok 5524 # correct ring bond data
199: ok 5525 # correct ring bond data
199: ok 5526 # correct ring bond data
199: ok 5527 # correct ring bond data
199: ok 5528 # correct ring bond data
199: ok 5529 # correct ring bond data
199: ok 5530 # correct ring bond data
199: ok 5531 # correct ring bond data
199: ok 5532 # correct ring bond data
199: ok 5533 # correct ring bond data
199: ok 5534 # correct ring bond data
199: ok 5535 # correct ring bond data
199: ok 5536 # correct ring bond data
199: ok 5537 # correct ring bond data
199: ok 5538 # correct ring bond data
199: ok 5539 # correct ring bond data
199: ok 5540 # correct ring bond data
199: ok 5541 # correct ring bond data
199: ok 5542 # correct ring bond data
199: ok 5543 # correct ring bond data
199: ok 5544 # SSSR size matches reference
199: ok 5545 # correct SSSR count
199: ok 5546 # ring membership passed
199: ok 5547 # correct SSSR count
199: ok 5548 # ring membership passed
199: ok 5549 # correct SSSR count
199: ok 5550 # ring membership passed
199: ok 5551 # correct SSSR count
199: ok 5552 # ring membership passed
199: ok 5553 # correct SSSR count
199: ok 5554 # ring membership passed
199: ok 5555 # correct SSSR count
199: ok 5556 # ring membership passed
199: ok 5557 # correct SSSR count
199: ok 5558 # ring membership passed
199: ok 5559 # correct SSSR count
199: ok 5560 # ring membership passed
199: ok 5561 # correct SSSR count
199: ok 5562 # ring membership passed
199: ok 5563 # correct SSSR count
199: ok 5564 # ring membership passed
199: ok 5565 # correct SSSR count
199: ok 5566 # ring membership passed
199: ok 5567 # correct SSSR count
199: ok 5568 # ring membership passed
199: ok 5569 # correct SSSR count
199: ok 5570 # ring membership passed
199: ok 5571 # correct SSSR count
199: ok 5572 # ring membership passed
199: ok 5573 # correct SSSR count
199: ok 5574 # ring membership passed
199: ok 5575 # correct SSSR count
199: ok 5576 # ring membership passed
199: ok 5577 # correct SSSR count
199: ok 5578 # ring membership passed
199: ok 5579 # correct SSSR count
199: ok 5580 # ring membership passed
199: ok 5581 # correct SSSR count
199: ok 5582 # ring membership passed
199: ok 5583 # correct SSSR count
199: ok 5584 # ring membership passed
199: ok 5585 # correct ring bond data
199: ok 5586 # correct ring bond data
199: ok 5587 # correct ring bond data
199: ok 5588 # correct ring bond data
199: ok 5589 # correct ring bond data
199: ok 5590 # correct ring bond data
199: ok 5591 # correct ring bond data
199: ok 5592 # correct ring bond data
199: ok 5593 # correct ring bond data
199: ok 5594 # correct ring bond data
199: ok 5595 # correct ring bond data
199: ok 5596 # correct ring bond data
199: ok 5597 # correct ring bond data
199: ok 5598 # correct ring bond data
199: ok 5599 # correct ring bond data
199: ok 5600 # correct ring bond data
199: ok 5601 # correct ring bond data
199: ok 5602 # correct ring bond data
199: ok 5603 # correct ring bond data
199: ok 5604 # correct ring bond data
199: ok 5605 # correct ring bond data
199: ok 5606 # SSSR size matches reference
199: ok 5607 # correct SSSR count
199: ok 5608 # ring membership passed
199: ok 5609 # correct SSSR count
199: ok 5610 # ring membership passed
199: ok 5611 # correct SSSR count
199: ok 5612 # ring membership passed
199: ok 5613 # correct SSSR count
199: ok 5614 # ring membership passed
199: ok 5615 # correct SSSR count
199: ok 5616 # ring membership passed
199: ok 5617 # correct SSSR count
199: ok 5618 # ring membership passed
199: ok 5619 # correct SSSR count
199: ok 5620 # ring membership passed
199: ok 5621 # correct SSSR count
199: ok 5622 # ring membership passed
199: ok 5623 # correct SSSR count
199: ok 5624 # ring membership passed
199: ok 5625 # correct SSSR count
199: ok 5626 # ring membership passed
199: ok 5627 # correct SSSR count
199: ok 5628 # ring membership passed
199: ok 5629 # correct SSSR count
199: ok 5630 # ring membership passed
199: ok 5631 # correct SSSR count
199: ok 5632 # ring membership passed
199: ok 5633 # correct SSSR count
199: ok 5634 # ring membership passed
199: ok 5635 # correct SSSR count
199: ok 5636 # ring membership passed
199: ok 5637 # correct SSSR count
199: ok 5638 # ring membership passed
199: ok 5639 # correct SSSR count
199: ok 5640 # ring membership passed
199: ok 5641 # correct SSSR count
199: ok 5642 # ring membership passed
199: ok 5643 # correct SSSR count
199: ok 5644 # ring membership passed
199: ok 5645 # correct SSSR count
199: ok 5646 # ring membership passed
199: ok 5647 # correct SSSR count
199: ok 5648 # ring membership passed
199: ok 5649 # correct ring bond data
199: ok 5650 # correct ring bond data
199: ok 5651 # correct ring bond data
199: ok 5652 # correct ring bond data
199: ok 5653 # correct ring bond data
199: ok 5654 # correct ring bond data
199: ok 5655 # correct ring bond data
199: ok 5656 # correct ring bond data
199: ok 5657 # correct ring bond data
199: ok 5658 # correct ring bond data
199: ok 5659 # correct ring bond data
199: ok 5660 # correct ring bond data
199: ok 5661 # correct ring bond data
199: ok 5662 # correct ring bond data
199: ok 5663 # correct ring bond data
199: ok 5664 # correct ring bond data
199: ok 5665 # correct ring bond data
199: ok 5666 # correct ring bond data
199: ok 5667 # correct ring bond data
199: ok 5668 # SSSR size matches reference
199: ok 5669 # correct SSSR count
199: ok 5670 # ring membership passed
199: ok 5671 # correct SSSR count
199: ok 5672 # ring membership passed
199: ok 5673 # correct SSSR count
199: ok 5674 # ring membership passed
199: ok 5675 # correct SSSR count
199: ok 5676 # ring membership passed
199: ok 5677 # correct SSSR count
199: ok 5678 # ring membership passed
199: ok 5679 # correct SSSR count
199: ok 5680 # ring membership passed
199: ok 5681 # correct SSSR count
199: ok 5682 # ring membership passed
199: ok 5683 # correct SSSR count
199: ok 5684 # ring membership passed
199: ok 5685 # correct SSSR count
199: ok 5686 # ring membership passed
199: ok 5687 # correct SSSR count
199: ok 5688 # ring membership passed
199: ok 5689 # correct SSSR count
199: ok 5690 # ring membership passed
199: ok 5691 # correct SSSR count
199: ok 5692 # ring membership passed
199: ok 5693 # correct SSSR count
199: ok 5694 # ring membership passed
199: ok 5695 # correct SSSR count
199: ok 5696 # ring membership passed
199: ok 5697 # correct SSSR count
199: ok 5698 # ring membership passed
199: ok 5699 # correct SSSR count
199: ok 5700 # ring membership passed
199: ok 5701 # correct SSSR count
199: ok 5702 # ring membership passed
199: ok 5703 # correct SSSR count
199: ok 5704 # ring membership passed
199: ok 5705 # correct SSSR count
199: ok 5706 # ring membership passed
199: ok 5707 # correct ring bond data
199: ok 5708 # correct ring bond data
199: ok 5709 # correct ring bond data
199: ok 5710 # correct ring bond data
199: ok 5711 # correct ring bond data
199: ok 5712 # correct ring bond data
199: ok 5713 # correct ring bond data
199: ok 5714 # correct ring bond data
199: ok 5715 # correct ring bond data
199: ok 5716 # correct ring bond data
199: ok 5717 # correct ring bond data
199: ok 5718 # correct ring bond data
199: ok 5719 # correct ring bond data
199: ok 5720 # correct ring bond data
199: ok 5721 # correct ring bond data
199: ok 5722 # correct ring bond data
199: ok 5723 # correct ring bond data
199: ok 5724 # correct ring bond data
199: ok 5725 # correct ring bond data
199: ok 5726 # correct ring bond data
199: ok 5727 # correct ring bond data
199: ok 5728 # correct ring bond data
199: ok 5729 # SSSR size matches reference
199: ok 5730 # correct SSSR count
199: ok 5731 # ring membership passed
199: ok 5732 # correct SSSR count
199: ok 5733 # ring membership passed
199: ok 5734 # correct SSSR count
199: ok 5735 # ring membership passed
199: ok 5736 # correct SSSR count
199: ok 5737 # ring membership passed
199: ok 5738 # correct SSSR count
199: ok 5739 # ring membership passed
199: ok 5740 # correct SSSR count
199: ok 5741 # ring membership passed
199: ok 5742 # correct SSSR count
199: ok 5743 # ring membership passed
199: ok 5744 # correct SSSR count
199: ok 5745 # ring membership passed
199: ok 5746 # correct SSSR count
199: ok 5747 # ring membership passed
199: ok 5748 # correct SSSR count
199: ok 5749 # ring membership passed
199: ok 5750 # correct SSSR count
199: ok 5751 # ring membership passed
199: ok 5752 # correct SSSR count
199: ok 5753 # ring membership passed
199: ok 5754 # correct SSSR count
199: ok 5755 # ring membership passed
199: ok 5756 # correct SSSR count
199: ok 5757 # ring membership passed
199: ok 5758 # correct SSSR count
199: ok 5759 # ring membership passed
199: ok 5760 # correct SSSR count
199: ok 5761 # ring membership passed
199: ok 5762 # correct SSSR count
199: ok 5763 # ring membership passed
199: ok 5764 # correct SSSR count
199: ok 5765 # ring membership passed
199: ok 5766 # correct SSSR count
199: ok 5767 # ring membership passed
199: ok 5768 # correct SSSR count
199: ok 5769 # ring membership passed
199: ok 5770 # correct SSSR count
199: ok 5771 # ring membership passed
199: ok 5772 # correct SSSR count
199: ok 5773 # ring membership passed
199: ok 5774 # correct ring bond data
199: ok 5775 # correct ring bond data
199: ok 5776 # correct ring bond data
199: ok 5777 # correct ring bond data
199: ok 5778 # correct ring bond data
199: ok 5779 # correct ring bond data
199: ok 5780 # correct ring bond data
199: ok 5781 # correct ring bond data
199: ok 5782 # correct ring bond data
199: ok 5783 # correct ring bond data
199: ok 5784 # correct ring bond data
199: ok 5785 # correct ring bond data
199: ok 5786 # correct ring bond data
199: ok 5787 # correct ring bond data
199: ok 5788 # SSSR size matches reference
199: ok 5789 # correct SSSR count
199: ok 5790 # ring membership passed
199: ok 5791 # correct SSSR count
199: ok 5792 # ring membership passed
199: ok 5793 # correct SSSR count
199: ok 5794 # ring membership passed
199: ok 5795 # correct SSSR count
199: ok 5796 # ring membership passed
199: ok 5797 # correct SSSR count
199: ok 5798 # ring membership passed
199: ok 5799 # correct SSSR count
199: ok 5800 # ring membership passed
199: ok 5801 # correct SSSR count
199: ok 5802 # ring membership passed
199: ok 5803 # correct SSSR count
199: ok 5804 # ring membership passed
199: ok 5805 # correct SSSR count
199: ok 5806 # ring membership passed
199: ok 5807 # correct SSSR count
199: ok 5808 # ring membership passed
199: ok 5809 # correct SSSR count
199: ok 5810 # ring membership passed
199: ok 5811 # correct SSSR count
199: ok 5812 # ring membership passed
199: ok 5813 # correct SSSR count
199: ok 5814 # ring membership passed
199: ok 5815 # correct SSSR count
199: ok 5816 # ring membership passed
199: ok 5817 # correct ring bond data
199: ok 5818 # correct ring bond data
199: ok 5819 # correct ring bond data
199: ok 5820 # correct ring bond data
199: ok 5821 # correct ring bond data
199: ok 5822 # correct ring bond data
199: ok 5823 # correct ring bond data
199: ok 5824 # correct ring bond data
199: ok 5825 # correct ring bond data
199: ok 5826 # correct ring bond data
199: ok 5827 # correct ring bond data
199: ok 5828 # correct ring bond data
199: ok 5829 # correct ring bond data
199: ok 5830 # correct ring bond data
199: ok 5831 # correct ring bond data
199: ok 5832 # correct ring bond data
199: ok 5833 # correct ring bond data
199: ok 5834 # correct ring bond data
199: ok 5835 # correct ring bond data
199: ok 5836 # correct ring bond data
199: ok 5837 # correct ring bond data
199: ok 5838 # correct ring bond data
199: ok 5839 # correct ring bond data
199: ok 5840 # correct ring bond data
199: ok 5841 # SSSR size matches reference
199: ok 5842 # correct SSSR count
199: ok 5843 # ring membership passed
199: ok 5844 # correct SSSR count
199: ok 5845 # ring membership passed
199: ok 5846 # correct SSSR count
199: ok 5847 # ring membership passed
199: ok 5848 # correct SSSR count
199: ok 5849 # ring membership passed
199: ok 5850 # correct SSSR count
199: ok 5851 # ring membership passed
199: ok 5852 # correct SSSR count
199: ok 5853 # ring membership passed
199: ok 5854 # correct SSSR count
199: ok 5855 # ring membership passed
199: ok 5856 # correct SSSR count
199: ok 5857 # ring membership passed
199: ok 5858 # correct SSSR count
199: ok 5859 # ring membership passed
199: ok 5860 # correct SSSR count
199: ok 5861 # ring membership passed
199: ok 5862 # correct SSSR count
199: ok 5863 # ring membership passed
199: ok 5864 # correct SSSR count
199: ok 5865 # ring membership passed
199: ok 5866 # correct SSSR count
199: ok 5867 # ring membership passed
199: ok 5868 # correct SSSR count
199: ok 5869 # ring membership passed
199: ok 5870 # correct SSSR count
199: ok 5871 # ring membership passed
199: ok 5872 # correct SSSR count
199: ok 5873 # ring membership passed
199: ok 5874 # correct SSSR count
199: ok 5875 # ring membership passed
199: ok 5876 # correct SSSR count
199: ok 5877 # ring membership passed
199: ok 5878 # correct SSSR count
199: ok 5879 # ring membership passed
199: ok 5880 # correct SSSR count
199: ok 5881 # ring membership passed
199: ok 5882 # correct SSSR count
199: ok 5883 # ring membership passed
199: ok 5884 # correct SSSR count
199: ok 5885 # ring membership passed
199: ok 5886 # correct SSSR count
199: ok 5887 # ring membership passed
199: ok 5888 # correct ring bond data
199: ok 5889 # correct ring bond data
199: ok 5890 # correct ring bond data
199: ok 5891 # correct ring bond data
199: ok 5892 # correct ring bond data
199: ok 5893 # correct ring bond data
199: ok 5894 # correct ring bond data
199: ok 5895 # correct ring bond data
199: ok 5896 # correct ring bond data
199: ok 5897 # correct ring bond data
199: ok 5898 # correct ring bond data
199: ok 5899 # correct ring bond data
199: ok 5900 # correct ring bond data
199: ok 5901 # correct ring bond data
199: ok 5902 # correct ring bond data
199: ok 5903 # correct ring bond data
199: ok 5904 # correct ring bond data
199: ok 5905 # correct ring bond data
199: ok 5906 # correct ring bond data
199: ok 5907 # SSSR size matches reference
199: ok 5908 # correct SSSR count
199: ok 5909 # ring membership passed
199: ok 5910 # correct SSSR count
199: ok 5911 # ring membership passed
199: ok 5912 # correct SSSR count
199: ok 5913 # ring membership passed
199: ok 5914 # correct SSSR count
199: ok 5915 # ring membership passed
199: ok 5916 # correct SSSR count
199: ok 5917 # ring membership passed
199: ok 5918 # correct SSSR count
199: ok 5919 # ring membership passed
199: ok 5920 # correct SSSR count
199: ok 5921 # ring membership passed
199: ok 5922 # correct SSSR count
199: ok 5923 # ring membership passed
199: ok 5924 # correct SSSR count
199: ok 5925 # ring membership passed
199: ok 5926 # correct SSSR count
199: ok 5927 # ring membership passed
199: ok 5928 # correct SSSR count
199: ok 5929 # ring membership passed
199: ok 5930 # correct SSSR count
199: ok 5931 # ring membership passed
199: ok 5932 # correct SSSR count
199: ok 5933 # ring membership passed
199: ok 5934 # correct SSSR count
199: ok 5935 # ring membership passed
199: ok 5936 # correct SSSR count
199: ok 5937 # ring membership passed
199: ok 5938 # correct SSSR count
199: ok 5939 # ring membership passed
199: ok 5940 # correct SSSR count
199: ok 5941 # ring membership passed
199: ok 5942 # correct SSSR count
199: ok 5943 # ring membership passed
199: ok 5944 # correct ring bond data
199: ok 5945 # correct ring bond data
199: ok 5946 # correct ring bond data
199: ok 5947 # correct ring bond data
199: ok 5948 # correct ring bond data
199: ok 5949 # correct ring bond data
199: ok 5950 # correct ring bond data
199: ok 5951 # correct ring bond data
199: ok 5952 # correct ring bond data
199: ok 5953 # correct ring bond data
199: ok 5954 # correct ring bond data
199: ok 5955 # correct ring bond data
199: ok 5956 # correct ring bond data
199: ok 5957 # correct ring bond data
199: ok 5958 # correct ring bond data
199: ok 5959 # correct ring bond data
199: ok 5960 # correct ring bond data
199: ok 5961 # correct ring bond data
199: ok 5962 # correct ring bond data
199: ok 5963 # correct ring bond data
199: ok 5964 # SSSR size matches reference
199: ok 5965 # correct SSSR count
199: ok 5966 # ring membership passed
199: ok 5967 # correct SSSR count
199: ok 5968 # ring membership passed
199: ok 5969 # correct SSSR count
199: ok 5970 # ring membership passed
199: ok 5971 # correct SSSR count
199: ok 5972 # ring membership passed
199: ok 5973 # correct SSSR count
199: ok 5974 # ring membership passed
199: ok 5975 # correct SSSR count
199: ok 5976 # ring membership passed
199: ok 5977 # correct SSSR count
199: ok 5978 # ring membership passed
199: ok 5979 # correct SSSR count
199: ok 5980 # ring membership passed
199: ok 5981 # correct SSSR count
199: ok 5982 # ring membership passed
199: ok 5983 # correct SSSR count
199: ok 5984 # ring membership passed
199: ok 5985 # correct SSSR count
199: ok 5986 # ring membership passed
199: ok 5987 # correct SSSR count
199: ok 5988 # ring membership passed
199: ok 5989 # correct SSSR count
199: ok 5990 # ring membership passed
199: ok 5991 # correct SSSR count
199: ok 5992 # ring membership passed
199: ok 5993 # correct SSSR count
199: ok 5994 # ring membership passed
199: ok 5995 # correct SSSR count
199: ok 5996 # ring membership passed
199: ok 5997 # correct SSSR count
199: ok 5998 # ring membership passed
199: ok 5999 # correct SSSR count
199: ok 6000 # ring membership passed
199: ok 6001 # correct ring bond data
199: ok 6002 # correct ring bond data
199: ok 6003 # correct ring bond data
199: ok 6004 # correct ring bond data
199: ok 6005 # correct ring bond data
199: ok 6006 # correct ring bond data
199: ok 6007 # correct ring bond data
199: ok 6008 # correct ring bond data
199: ok 6009 # correct ring bond data
199: ok 6010 # correct ring bond data
199: ok 6011 # correct ring bond data
199: ok 6012 # correct ring bond data
199: ok 6013 # correct ring bond data
199: ok 6014 # correct ring bond data
199: ok 6015 # correct ring bond data
199: ok 6016 # correct ring bond data
199: ok 6017 # correct ring bond data
199: ok 6018 # correct ring bond data
199: ok 6019 # correct ring bond data
199: ok 6020 # correct ring bond data
199: ok 6021 # correct ring bond data
199: ok 6022 # SSSR size matches reference
199: ok 6023 # correct SSSR count
199: ok 6024 # ring membership passed
199: ok 6025 # correct SSSR count
199: ok 6026 # ring membership passed
199: ok 6027 # correct SSSR count
199: ok 6028 # ring membership passed
199: ok 6029 # correct SSSR count
199: ok 6030 # ring membership passed
199: ok 6031 # correct SSSR count
199: ok 6032 # ring membership passed
199: ok 6033 # correct SSSR count
199: ok 6034 # ring membership passed
199: ok 6035 # correct SSSR count
199: ok 6036 # ring membership passed
199: ok 6037 # correct SSSR count
199: ok 6038 # ring membership passed
199: ok 6039 # correct SSSR count
199: ok 6040 # ring membership passed
199: ok 6041 # correct SSSR count
199: ok 6042 # ring membership passed
199: ok 6043 # correct SSSR count
199: ok 6044 # ring membership passed
199: ok 6045 # correct SSSR count
199: ok 6046 # ring membership passed
199: ok 6047 # correct SSSR count
199: ok 6048 # ring membership passed
199: ok 6049 # correct SSSR count
199: ok 6050 # ring membership passed
199: ok 6051 # correct SSSR count
199: ok 6052 # ring membership passed
199: ok 6053 # correct SSSR count
199: ok 6054 # ring membership passed
199: ok 6055 # correct SSSR count
199: ok 6056 # ring membership passed
199: ok 6057 # correct SSSR count
199: ok 6058 # ring membership passed
199: ok 6059 # correct SSSR count
199: ok 6060 # ring membership passed
199: ok 6061 # correct ring bond data
199: ok 6062 # correct ring bond data
199: ok 6063 # correct ring bond data
199: ok 6064 # correct ring bond data
199: ok 6065 # correct ring bond data
199: ok 6066 # correct ring bond data
199: ok 6067 # correct ring bond data
199: ok 6068 # correct ring bond data
199: ok 6069 # correct ring bond data
199: ok 6070 # correct ring bond data
199: ok 6071 # correct ring bond data
199: ok 6072 # correct ring bond data
199: ok 6073 # correct ring bond data
199: ok 6074 # correct ring bond data
199: ok 6075 # SSSR size matches reference
199: ok 6076 # correct SSSR count
199: ok 6077 # ring membership passed
199: ok 6078 # correct SSSR count
199: ok 6079 # ring membership passed
199: ok 6080 # correct SSSR count
199: ok 6081 # ring membership passed
199: ok 6082 # correct SSSR count
199: ok 6083 # ring membership passed
199: ok 6084 # correct SSSR count
199: ok 6085 # ring membership passed
199: ok 6086 # correct SSSR count
199: ok 6087 # ring membership passed
199: ok 6088 # correct SSSR count
199: ok 6089 # ring membership passed
199: ok 6090 # correct SSSR count
199: ok 6091 # ring membership passed
199: ok 6092 # correct SSSR count
199: ok 6093 # ring membership passed
199: ok 6094 # correct SSSR count
199: ok 6095 # ring membership passed
199: ok 6096 # correct SSSR count
199: ok 6097 # ring membership passed
199: ok 6098 # correct SSSR count
199: ok 6099 # ring membership passed
199: ok 6100 # correct SSSR count
199: ok 6101 # ring membership passed
199: ok 6102 # correct SSSR count
199: ok 6103 # ring membership passed
199: ok 6104 # correct ring bond data
199: ok 6105 # correct ring bond data
199: ok 6106 # correct ring bond data
199: ok 6107 # correct ring bond data
199: ok 6108 # correct ring bond data
199: ok 6109 # correct ring bond data
199: ok 6110 # correct ring bond data
199: ok 6111 # correct ring bond data
199: ok 6112 # correct ring bond data
199: ok 6113 # correct ring bond data
199: ok 6114 # correct ring bond data
199: ok 6115 # correct ring bond data
199: ok 6116 # correct ring bond data
199: ok 6117 # correct ring bond data
199: ok 6118 # SSSR size matches reference
199: ok 6119 # correct SSSR count
199: ok 6120 # ring membership passed
199: ok 6121 # correct SSSR count
199: ok 6122 # ring membership passed
199: ok 6123 # correct SSSR count
199: ok 6124 # ring membership passed
199: ok 6125 # correct SSSR count
199: ok 6126 # ring membership passed
199: ok 6127 # correct SSSR count
199: ok 6128 # ring membership passed
199: ok 6129 # correct SSSR count
199: ok 6130 # ring membership passed
199: ok 6131 # correct SSSR count
199: ok 6132 # ring membership passed
199: ok 6133 # correct SSSR count
199: ok 6134 # ring membership passed
199: ok 6135 # correct SSSR count
199: ok 6136 # ring membership passed
199: ok 6137 # correct SSSR count
199: ok 6138 # ring membership passed
199: ok 6139 # correct SSSR count
199: ok 6140 # ring membership passed
199: ok 6141 # correct SSSR count
199: ok 6142 # ring membership passed
199: ok 6143 # correct SSSR count
199: ok 6144 # ring membership passed
199: ok 6145 # correct SSSR count
199: ok 6146 # ring membership passed
199: ok 6147 # correct ring bond data
199: ok 6148 # correct ring bond data
199: ok 6149 # correct ring bond data
199: ok 6150 # correct ring bond data
199: ok 6151 # correct ring bond data
199: ok 6152 # correct ring bond data
199: ok 6153 # correct ring bond data
199: ok 6154 # correct ring bond data
199: ok 6155 # correct ring bond data
199: ok 6156 # correct ring bond data
199: ok 6157 # correct ring bond data
199: ok 6158 # correct ring bond data
199: ok 6159 # correct ring bond data
199: ok 6160 # correct ring bond data
199: ok 6161 # SSSR size matches reference
199: ok 6162 # correct SSSR count
199: ok 6163 # ring membership passed
199: ok 6164 # correct SSSR count
199: ok 6165 # ring membership passed
199: ok 6166 # correct SSSR count
199: ok 6167 # ring membership passed
199: ok 6168 # correct SSSR count
199: ok 6169 # ring membership passed
199: ok 6170 # correct SSSR count
199: ok 6171 # ring membership passed
199: ok 6172 # correct SSSR count
199: ok 6173 # ring membership passed
199: ok 6174 # correct SSSR count
199: ok 6175 # ring membership passed
199: ok 6176 # correct SSSR count
199: ok 6177 # ring membership passed
199: ok 6178 # correct SSSR count
199: ok 6179 # ring membership passed
199: ok 6180 # correct SSSR count
199: ok 6181 # ring membership passed
199: ok 6182 # correct SSSR count
199: ok 6183 # ring membership passed
199: ok 6184 # correct SSSR count
199: ok 6185 # ring membership passed
199: ok 6186 # correct SSSR count
199: ok 6187 # ring membership passed
199: ok 6188 # correct SSSR count
199: ok 6189 # ring membership passed
199: ok 6190 # correct ring bond data
199: ok 6191 # correct ring bond data
199: ok 6192 # correct ring bond data
199: ok 6193 # correct ring bond data
199: ok 6194 # correct ring bond data
199: ok 6195 # correct ring bond data
199: ok 6196 # correct ring bond data
199: ok 6197 # correct ring bond data
199: ok 6198 # correct ring bond data
199: ok 6199 # correct ring bond data
199: ok 6200 # correct ring bond data
199: ok 6201 # correct ring bond data
199: ok 6202 # SSSR size matches reference
199: ok 6203 # correct SSSR count
199: ok 6204 # ring membership passed
199: ok 6205 # correct SSSR count
199: ok 6206 # ring membership passed
199: ok 6207 # correct SSSR count
199: ok 6208 # ring membership passed
199: ok 6209 # correct SSSR count
199: ok 6210 # ring membership passed
199: ok 6211 # correct SSSR count
199: ok 6212 # ring membership passed
199: ok 6213 # correct SSSR count
199: ok 6214 # ring membership passed
199: ok 6215 # correct SSSR count
199: ok 6216 # ring membership passed
199: ok 6217 # correct SSSR count
199: ok 6218 # ring membership passed
199: ok 6219 # correct SSSR count
199: ok 6220 # ring membership passed
199: ok 6221 # correct SSSR count
199: ok 6222 # ring membership passed
199: ok 6223 # correct SSSR count
199: ok 6224 # ring membership passed
199: ok 6225 # correct SSSR count
199: ok 6226 # ring membership passed
199: ok 6227 # correct ring bond data
199: ok 6228 # correct ring bond data
199: ok 6229 # correct ring bond data
199: ok 6230 # correct ring bond data
199: ok 6231 # correct ring bond data
199: ok 6232 # correct ring bond data
199: ok 6233 # correct ring bond data
199: ok 6234 # correct ring bond data
199: ok 6235 # correct ring bond data
199: ok 6236 # correct ring bond data
199: ok 6237 # correct ring bond data
199: ok 6238 # correct ring bond data
199: ok 6239 # correct ring bond data
199: ok 6240 # correct ring bond data
199: ok 6241 # correct ring bond data
199: ok 6242 # correct ring bond data
199: ok 6243 # correct ring bond data
199: ok 6244 # correct ring bond data
199: ok 6245 # SSSR size matches reference
199: ok 6246 # correct SSSR count
199: ok 6247 # ring membership passed
199: ok 6248 # correct SSSR count
199: ok 6249 # ring membership passed
199: ok 6250 # correct SSSR count
199: ok 6251 # ring membership passed
199: ok 6252 # correct SSSR count
199: ok 6253 # ring membership passed
199: ok 6254 # correct SSSR count
199: ok 6255 # ring membership passed
199: ok 6256 # correct SSSR count
199: ok 6257 # ring membership passed
199: ok 6258 # correct SSSR count
199: ok 6259 # ring membership passed
199: ok 6260 # correct SSSR count
199: ok 6261 # ring membership passed
199: ok 6262 # correct SSSR count
199: ok 6263 # ring membership passed
199: ok 6264 # correct SSSR count
199: ok 6265 # ring membership passed
199: ok 6266 # correct SSSR count
199: ok 6267 # ring membership passed
199: ok 6268 # correct SSSR count
199: ok 6269 # ring membership passed
199: ok 6270 # correct SSSR count
199: ok 6271 # ring membership passed
199: ok 6272 # correct SSSR count
199: ok 6273 # ring membership passed
199: ok 6274 # correct SSSR count
199: ok 6275 # ring membership passed
199: ok 6276 # correct SSSR count
199: ok 6277 # ring membership passed
199: ok 6278 # correct SSSR count
199: ok 6279 # ring membership passed
199: ok 6280 # correct ring bond data
199: ok 6281 # correct ring bond data
199: ok 6282 # correct ring bond data
199: ok 6283 # correct ring bond data
199: ok 6284 # correct ring bond data
199: ok 6285 # correct ring bond data
199: ok 6286 # correct ring bond data
199: ok 6287 # correct ring bond data
199: ok 6288 # correct ring bond data
199: ok 6289 # correct ring bond data
199: ok 6290 # correct ring bond data
199: ok 6291 # correct ring bond data
199: ok 6292 # correct ring bond data
199: ok 6293 # correct ring bond data
199: ok 6294 # correct ring bond data
199: ok 6295 # correct ring bond data
199: ok 6296 # correct ring bond data
199: ok 6297 # correct ring bond data
199: ok 6298 # correct ring bond data
199: ok 6299 # correct ring bond data
199: ok 6300 # correct ring bond data
199: ok 6301 # correct ring bond data
199: ok 6302 # correct ring bond data
199: ok 6303 # correct ring bond data
199: ok 6304 # SSSR size matches reference
199: ok 6305 # correct SSSR count
199: ok 6306 # ring membership passed
199: ok 6307 # correct SSSR count
199: ok 6308 # ring membership passed
199: ok 6309 # correct SSSR count
199: ok 6310 # ring membership passed
199: ok 6311 # correct SSSR count
199: ok 6312 # ring membership passed
199: ok 6313 # correct SSSR count
199: ok 6314 # ring membership passed
199: ok 6315 # correct SSSR count
199: ok 6316 # ring membership passed
199: ok 6317 # correct SSSR count
199: ok 6318 # ring membership passed
199: ok 6319 # correct SSSR count
199: ok 6320 # ring membership passed
199: ok 6321 # correct SSSR count
199: ok 6322 # ring membership passed
199: ok 6323 # correct SSSR count
199: ok 6324 # ring membership passed
199: ok 6325 # correct SSSR count
199: ok 6326 # ring membership passed
199: ok 6327 # correct SSSR count
199: ok 6328 # ring membership passed
199: ok 6329 # correct SSSR count
199: ok 6330 # ring membership passed
199: ok 6331 # correct SSSR count
199: ok 6332 # ring membership passed
199: ok 6333 # correct SSSR count
199: ok 6334 # ring membership passed
199: ok 6335 # correct SSSR count
199: ok 6336 # ring membership passed
199: ok 6337 # correct SSSR count
199: ok 6338 # ring membership passed
199: ok 6339 # correct SSSR count
199: ok 6340 # ring membership passed
199: ok 6341 # correct SSSR count
199: ok 6342 # ring membership passed
199: ok 6343 # correct SSSR count
199: ok 6344 # ring membership passed
199: ok 6345 # correct SSSR count
199: ok 6346 # ring membership passed
199: ok 6347 # correct SSSR count
199: ok 6348 # ring membership passed
199: ok 6349 # correct SSSR count
199: ok 6350 # ring membership passed
199: ok 6351 # correct ring bond data
199: ok 6352 # correct ring bond data
199: ok 6353 # correct ring bond data
199: ok 6354 # correct ring bond data
199: ok 6355 # correct ring bond data
199: ok 6356 # correct ring bond data
199: ok 6357 # correct ring bond data
199: ok 6358 # correct ring bond data
199: ok 6359 # correct ring bond data
199: ok 6360 # correct ring bond data
199: ok 6361 # correct ring bond data
199: ok 6362 # correct ring bond data
199: ok 6363 # correct ring bond data
199: ok 6364 # correct ring bond data
199: ok 6365 # correct ring bond data
199: ok 6366 # correct ring bond data
199: ok 6367 # correct ring bond data
199: ok 6368 # correct ring bond data
199: ok 6369 # correct ring bond data
199: ok 6370 # correct ring bond data
199: ok 6371 # correct ring bond data
199: ok 6372 # SSSR size matches reference
199: ok 6373 # correct SSSR count
199: ok 6374 # ring membership passed
199: ok 6375 # correct SSSR count
199: ok 6376 # ring membership passed
199: ok 6377 # correct SSSR count
199: ok 6378 # ring membership passed
199: ok 6379 # correct SSSR count
199: ok 6380 # ring membership passed
199: ok 6381 # correct SSSR count
199: ok 6382 # ring membership passed
199: ok 6383 # correct SSSR count
199: ok 6384 # ring membership passed
199: ok 6385 # correct SSSR count
199: ok 6386 # ring membership passed
199: ok 6387 # correct SSSR count
199: ok 6388 # ring membership passed
199: ok 6389 # correct SSSR count
199: ok 6390 # ring membership passed
199: ok 6391 # correct SSSR count
199: ok 6392 # ring membership passed
199: ok 6393 # correct SSSR count
199: ok 6394 # ring membership passed
199: ok 6395 # correct SSSR count
199: ok 6396 # ring membership passed
199: ok 6397 # correct SSSR count
199: ok 6398 # ring membership passed
199: ok 6399 # correct SSSR count
199: ok 6400 # ring membership passed
199: ok 6401 # correct SSSR count
199: ok 6402 # ring membership passed
199: ok 6403 # correct SSSR count
199: ok 6404 # ring membership passed
199: ok 6405 # correct SSSR count
199: ok 6406 # ring membership passed
199: ok 6407 # correct SSSR count
199: ok 6408 # ring membership passed
199: ok 6409 # correct SSSR count
199: ok 6410 # ring membership passed
199: ok 6411 # correct SSSR count
199: ok 6412 # ring membership passed
199: ok 6413 # correct ring bond data
199: ok 6414 # correct ring bond data
199: ok 6415 # correct ring bond data
199: ok 6416 # correct ring bond data
199: ok 6417 # correct ring bond data
199: ok 6418 # correct ring bond data
199: ok 6419 # correct ring bond data
199: ok 6420 # correct ring bond data
199: ok 6421 # correct ring bond data
199: ok 6422 # correct ring bond data
199: ok 6423 # correct ring bond data
199: ok 6424 # correct ring bond data
199: ok 6425 # correct ring bond data
199: ok 6426 # correct ring bond data
199: ok 6427 # correct ring bond data
199: ok 6428 # correct ring bond data
199: ok 6429 # correct ring bond data
199: ok 6430 # correct ring bond data
199: ok 6431 # correct ring bond data
199: ok 6432 # correct ring bond data
199: ok 6433 # correct ring bond data
199: ok 6434 # correct ring bond data
199: ok 6435 # correct ring bond data
199: ok 6436 # correct ring bond data
199: ok 6437 # correct ring bond data
199: ok 6438 # correct ring bond data
199: ok 6439 # correct ring bond data
199: ok 6440 # SSSR size matches reference
199: ok 6441 # correct SSSR count
199: ok 6442 # ring membership passed
199: ok 6443 # correct SSSR count
199: ok 6444 # ring membership passed
199: ok 6445 # correct SSSR count
199: ok 6446 # ring membership passed
199: ok 6447 # correct SSSR count
199: ok 6448 # ring membership passed
199: ok 6449 # correct SSSR count
199: ok 6450 # ring membership passed
199: ok 6451 # correct SSSR count
199: ok 6452 # ring membership passed
199: ok 6453 # correct SSSR count
199: ok 6454 # ring membership passed
199: ok 6455 # correct SSSR count
199: ok 6456 # ring membership passed
199: ok 6457 # correct SSSR count
199: ok 6458 # ring membership passed
199: ok 6459 # correct SSSR count
199: ok 6460 # ring membership passed
199: ok 6461 # correct SSSR count
199: ok 6462 # ring membership passed
199: ok 6463 # correct SSSR count
199: ok 6464 # ring membership passed
199: ok 6465 # correct SSSR count
199: ok 6466 # ring membership passed
199: ok 6467 # correct SSSR count
199: ok 6468 # ring membership passed
199: ok 6469 # correct SSSR count
199: ok 6470 # ring membership passed
199: ok 6471 # correct SSSR count
199: ok 6472 # ring membership passed
199: ok 6473 # correct SSSR count
199: ok 6474 # ring membership passed
199: ok 6475 # correct SSSR count
199: ok 6476 # ring membership passed
199: ok 6477 # correct SSSR count
199: ok 6478 # ring membership passed
199: ok 6479 # correct SSSR count
199: ok 6480 # ring membership passed
199: ok 6481 # correct SSSR count
199: ok 6482 # ring membership passed
199: ok 6483 # correct SSSR count
199: ok 6484 # ring membership passed
199: ok 6485 # correct SSSR count
199: ok 6486 # ring membership passed
199: ok 6487 # correct SSSR count
199: ok 6488 # ring membership passed
199: ok 6489 # correct SSSR count
199: ok 6490 # ring membership passed
199: ok 6491 # correct ring bond data
199: ok 6492 # correct ring bond data
199: ok 6493 # correct ring bond data
199: ok 6494 # correct ring bond data
199: ok 6495 # correct ring bond data
199: ok 6496 # correct ring bond data
199: ok 6497 # correct ring bond data
199: ok 6498 # correct ring bond data
199: ok 6499 # correct ring bond data
199: ok 6500 # correct ring bond data
199: ok 6501 # correct ring bond data
199: ok 6502 # correct ring bond data
199: ok 6503 # correct ring bond data
199: ok 6504 # correct ring bond data
199: ok 6505 # correct ring bond data
199: ok 6506 # SSSR size matches reference
199: ok 6507 # correct SSSR count
199: ok 6508 # ring membership passed
199: ok 6509 # correct SSSR count
199: ok 6510 # ring membership passed
199: ok 6511 # correct SSSR count
199: ok 6512 # ring membership passed
199: ok 6513 # correct SSSR count
199: ok 6514 # ring membership passed
199: ok 6515 # correct SSSR count
199: ok 6516 # ring membership passed
199: ok 6517 # correct SSSR count
199: ok 6518 # ring membership passed
199: ok 6519 # correct SSSR count
199: ok 6520 # ring membership passed
199: ok 6521 # correct SSSR count
199: ok 6522 # ring membership passed
199: ok 6523 # correct SSSR count
199: ok 6524 # ring membership passed
199: ok 6525 # correct SSSR count
199: ok 6526 # ring membership passed
199: ok 6527 # correct SSSR count
199: ok 6528 # ring membership passed
199: ok 6529 # correct SSSR count
199: ok 6530 # ring membership passed
199: ok 6531 # correct SSSR count
199: ok 6532 # ring membership passed
199: ok 6533 # correct SSSR count
199: ok 6534 # ring membership passed
199: ok 6535 # correct SSSR count
199: ok 6536 # ring membership passed
199: ok 6537 # correct ring bond data
199: ok 6538 # correct ring bond data
199: ok 6539 # correct ring bond data
199: ok 6540 # correct ring bond data
199: ok 6541 # correct ring bond data
199: ok 6542 # correct ring bond data
199: ok 6543 # correct ring bond data
199: ok 6544 # correct ring bond data
199: ok 6545 # correct ring bond data
199: ok 6546 # correct ring bond data
199: ok 6547 # correct ring bond data
199: ok 6548 # correct ring bond data
199: ok 6549 # correct ring bond data
199: ok 6550 # correct ring bond data
199: ok 6551 # correct ring bond data
199: ok 6552 # correct ring bond data
199: ok 6553 # correct ring bond data
199: ok 6554 # correct ring bond data
199: ok 6555 # correct ring bond data
199: ok 6556 # correct ring bond data
199: ok 6557 # SSSR size matches reference
199: ok 6558 # correct SSSR count
199: ok 6559 # ring membership passed
199: ok 6560 # correct SSSR count
199: ok 6561 # ring membership passed
199: ok 6562 # correct SSSR count
199: ok 6563 # ring membership passed
199: ok 6564 # correct SSSR count
199: ok 6565 # ring membership passed
199: ok 6566 # correct SSSR count
199: ok 6567 # ring membership passed
199: ok 6568 # correct SSSR count
199: ok 6569 # ring membership passed
199: ok 6570 # correct SSSR count
199: ok 6571 # ring membership passed
199: ok 6572 # correct SSSR count
199: ok 6573 # ring membership passed
199: ok 6574 # correct SSSR count
199: ok 6575 # ring membership passed
199: ok 6576 # correct SSSR count
199: ok 6577 # ring membership passed
199: ok 6578 # correct SSSR count
199: ok 6579 # ring membership passed
199: ok 6580 # correct SSSR count
199: ok 6581 # ring membership passed
199: ok 6582 # correct SSSR count
199: ok 6583 # ring membership passed
199: ok 6584 # correct SSSR count
199: ok 6585 # ring membership passed
199: ok 6586 # correct SSSR count
199: ok 6587 # ring membership passed
199: ok 6588 # correct SSSR count
199: ok 6589 # ring membership passed
199: ok 6590 # correct SSSR count
199: ok 6591 # ring membership passed
199: ok 6592 # correct SSSR count
199: ok 6593 # ring membership passed
199: ok 6594 # correct SSSR count
199: ok 6595 # ring membership passed
199: ok 6596 # correct ring bond data
199: ok 6597 # correct ring bond data
199: ok 6598 # correct ring bond data
199: ok 6599 # correct ring bond data
199: ok 6600 # correct ring bond data
199: ok 6601 # correct ring bond data
199: ok 6602 # correct ring bond data
199: ok 6603 # correct ring bond data
199: ok 6604 # correct ring bond data
199: ok 6605 # correct ring bond data
199: ok 6606 # correct ring bond data
199: ok 6607 # correct ring bond data
199: ok 6608 # correct ring bond data
199: ok 6609 # correct ring bond data
199: ok 6610 # SSSR size matches reference
199: ok 6611 # correct SSSR count
199: ok 6612 # ring membership passed
199: ok 6613 # correct SSSR count
199: ok 6614 # ring membership passed
199: ok 6615 # correct SSSR count
199: ok 6616 # ring membership passed
199: ok 6617 # correct SSSR count
199: ok 6618 # ring membership passed
199: ok 6619 # correct SSSR count
199: ok 6620 # ring membership passed
199: ok 6621 # correct SSSR count
199: ok 6622 # ring membership passed
199: ok 6623 # correct SSSR count
199: ok 6624 # ring membership passed
199: ok 6625 # correct SSSR count
199: ok 6626 # ring membership passed
199: ok 6627 # correct SSSR count
199: ok 6628 # ring membership passed
199: ok 6629 # correct SSSR count
199: ok 6630 # ring membership passed
199: ok 6631 # correct SSSR count
199: ok 6632 # ring membership passed
199: ok 6633 # correct SSSR count
199: ok 6634 # ring membership passed
199: ok 6635 # correct SSSR count
199: ok 6636 # ring membership passed
199: ok 6637 # correct SSSR count
199: ok 6638 # ring membership passed
199: ok 6639 # correct ring bond data
199: ok 6640 # correct ring bond data
199: ok 6641 # correct ring bond data
199: ok 6642 # correct ring bond data
199: ok 6643 # correct ring bond data
199: ok 6644 # correct ring bond data
199: ok 6645 # correct ring bond data
199: ok 6646 # correct ring bond data
199: ok 6647 # correct ring bond data
199: ok 6648 # correct ring bond data
199: ok 6649 # correct ring bond data
199: ok 6650 # correct ring bond data
199: ok 6651 # correct ring bond data
199: ok 6652 # correct ring bond data
199: ok 6653 # SSSR size matches reference
199: ok 6654 # correct SSSR count
199: ok 6655 # ring membership passed
199: ok 6656 # correct SSSR count
199: ok 6657 # ring membership passed
199: ok 6658 # correct SSSR count
199: ok 6659 # ring membership passed
199: ok 6660 # correct SSSR count
199: ok 6661 # ring membership passed
199: ok 6662 # correct SSSR count
199: ok 6663 # ring membership passed
199: ok 6664 # correct SSSR count
199: ok 6665 # ring membership passed
199: ok 6666 # correct SSSR count
199: ok 6667 # ring membership passed
199: ok 6668 # correct SSSR count
199: ok 6669 # ring membership passed
199: ok 6670 # correct SSSR count
199: ok 6671 # ring membership passed
199: ok 6672 # correct SSSR count
199: ok 6673 # ring membership passed
199: ok 6674 # correct SSSR count
199: ok 6675 # ring membership passed
199: ok 6676 # correct SSSR count
199: ok 6677 # ring membership passed
199: ok 6678 # correct SSSR count
199: ok 6679 # ring membership passed
199: ok 6680 # correct SSSR count
199: ok 6681 # ring membership passed
199: ok 6682 # correct ring bond data
199: ok 6683 # correct ring bond data
199: ok 6684 # correct ring bond data
199: ok 6685 # correct ring bond data
199: ok 6686 # correct ring bond data
199: ok 6687 # correct ring bond data
199: ok 6688 # correct ring bond data
199: ok 6689 # correct ring bond data
199: ok 6690 # correct ring bond data
199: ok 6691 # correct ring bond data
199: ok 6692 # correct ring bond data
199: ok 6693 # correct ring bond data
199: ok 6694 # correct ring bond data
199: ok 6695 # correct ring bond data
199: ok 6696 # correct ring bond data
199: ok 6697 # correct ring bond data
199: ok 6698 # correct ring bond data
199: ok 6699 # SSSR size matches reference
199: ok 6700 # correct SSSR count
199: ok 6701 # ring membership passed
199: ok 6702 # correct SSSR count
199: ok 6703 # ring membership passed
199: ok 6704 # correct SSSR count
199: ok 6705 # ring membership passed
199: ok 6706 # correct SSSR count
199: ok 6707 # ring membership passed
199: ok 6708 # correct SSSR count
199: ok 6709 # ring membership passed
199: ok 6710 # correct SSSR count
199: ok 6711 # ring membership passed
199: ok 6712 # correct SSSR count
199: ok 6713 # ring membership passed
199: ok 6714 # correct SSSR count
199: ok 6715 # ring membership passed
199: ok 6716 # correct SSSR count
199: ok 6717 # ring membership passed
199: ok 6718 # correct SSSR count
199: ok 6719 # ring membership passed
199: ok 6720 # correct SSSR count
199: ok 6721 # ring membership passed
199: ok 6722 # correct SSSR count
199: ok 6723 # ring membership passed
199: ok 6724 # correct SSSR count
199: ok 6725 # ring membership passed
199: ok 6726 # correct SSSR count
199: ok 6727 # ring membership passed
199: ok 6728 # correct SSSR count
199: ok 6729 # ring membership passed
199: ok 6730 # correct SSSR count
199: ok 6731 # ring membership passed
199: ok 6732 # correct SSSR count
199: ok 6733 # ring membership passed
199: ok 6734 # correct ring bond data
199: ok 6735 # correct ring bond data
199: ok 6736 # correct ring bond data
199: ok 6737 # correct ring bond data
199: ok 6738 # correct ring bond data
199: ok 6739 # correct ring bond data
199: ok 6740 # correct ring bond data
199: ok 6741 # correct ring bond data
199: ok 6742 # correct ring bond data
199: ok 6743 # correct ring bond data
199: ok 6744 # correct ring bond data
199: ok 6745 # correct ring bond data
199: ok 6746 # correct ring bond data
199: ok 6747 # correct ring bond data
199: ok 6748 # correct ring bond data
199: ok 6749 # correct ring bond data
199: ok 6750 # correct ring bond data
199: ok 6751 # correct ring bond data
199: ok 6752 # correct ring bond data
199: ok 6753 # correct ring bond data
199: ok 6754 # correct ring bond data
199: ok 6755 # correct ring bond data
199: ok 6756 # correct ring bond data
199: ok 6757 # correct ring bond data
199: ok 6758 # correct ring bond data
199: ok 6759 # correct ring bond data
199: ok 6760 # correct ring bond data
199: ok 6761 # correct ring bond data
199: ok 6762 # SSSR size matches reference
199: ok 6763 # correct SSSR count
199: ok 6764 # ring membership passed
199: ok 6765 # correct SSSR count
199: ok 6766 # ring membership passed
199: ok 6767 # correct SSSR count
199: ok 6768 # ring membership passed
199: ok 6769 # correct SSSR count
199: ok 6770 # ring membership passed
199: ok 6771 # correct SSSR count
199: ok 6772 # ring membership passed
199: ok 6773 # correct SSSR count
199: ok 6774 # ring membership passed
199: ok 6775 # correct SSSR count
199: ok 6776 # ring membership passed
199: ok 6777 # correct SSSR count
199: ok 6778 # ring membership passed
199: ok 6779 # correct SSSR count
199: ok 6780 # ring membership passed
199: ok 6781 # correct SSSR count
199: ok 6782 # ring membership passed
199: ok 6783 # correct SSSR count
199: ok 6784 # ring membership passed
199: ok 6785 # correct SSSR count
199: ok 6786 # ring membership passed
199: ok 6787 # correct SSSR count
199: ok 6788 # ring membership passed
199: ok 6789 # correct SSSR count
199: ok 6790 # ring membership passed
199: ok 6791 # correct SSSR count
199: ok 6792 # ring membership passed
199: ok 6793 # correct SSSR count
199: ok 6794 # ring membership passed
199: ok 6795 # correct SSSR count
199: ok 6796 # ring membership passed
199: ok 6797 # correct SSSR count
199: ok 6798 # ring membership passed
199: ok 6799 # correct SSSR count
199: ok 6800 # ring membership passed
199: ok 6801 # correct SSSR count
199: ok 6802 # ring membership passed
199: ok 6803 # correct SSSR count
199: ok 6804 # ring membership passed
199: ok 6805 # correct SSSR count
199: ok 6806 # ring membership passed
199: ok 6807 # correct SSSR count
199: ok 6808 # ring membership passed
199: ok 6809 # correct SSSR count
199: ok 6810 # ring membership passed
199: ok 6811 # correct SSSR count
199: ok 6812 # ring membership passed
199: ok 6813 # correct SSSR count
199: ok 6814 # ring membership passed
199: ok 6815 # correct ring bond data
199: ok 6816 # correct ring bond data
199: ok 6817 # correct ring bond data
199: ok 6818 # correct ring bond data
199: ok 6819 # correct ring bond data
199: ok 6820 # correct ring bond data
199: ok 6821 # correct ring bond data
199: ok 6822 # correct ring bond data
199: ok 6823 # correct ring bond data
199: ok 6824 # correct ring bond data
199: ok 6825 # correct ring bond data
199: ok 6826 # correct ring bond data
199: ok 6827 # correct ring bond data
199: ok 6828 # correct ring bond data
199: ok 6829 # correct ring bond data
199: ok 6830 # correct ring bond data
199: ok 6831 # correct ring bond data
199: ok 6832 # correct ring bond data
199: ok 6833 # correct ring bond data
199: ok 6834 # correct ring bond data
199: ok 6835 # correct ring bond data
199: ok 6836 # correct ring bond data
199: ok 6837 # correct ring bond data
199: ok 6838 # correct ring bond data
199: ok 6839 # correct ring bond data
199: ok 6840 # correct ring bond data
199: ok 6841 # SSSR size matches reference
199: ok 6842 # correct SSSR count
199: ok 6843 # ring membership passed
199: ok 6844 # correct SSSR count
199: ok 6845 # ring membership passed
199: ok 6846 # correct SSSR count
199: ok 6847 # ring membership passed
199: ok 6848 # correct SSSR count
199: ok 6849 # ring membership passed
199: ok 6850 # correct SSSR count
199: ok 6851 # ring membership passed
199: ok 6852 # correct SSSR count
199: ok 6853 # ring membership passed
199: ok 6854 # correct SSSR count
199: ok 6855 # ring membership passed
199: ok 6856 # correct SSSR count
199: ok 6857 # ring membership passed
199: ok 6858 # correct SSSR count
199: ok 6859 # ring membership passed
199: ok 6860 # correct SSSR count
199: ok 6861 # ring membership passed
199: ok 6862 # correct SSSR count
199: ok 6863 # ring membership passed
199: ok 6864 # correct SSSR count
199: ok 6865 # ring membership passed
199: ok 6866 # correct SSSR count
199: ok 6867 # ring membership passed
199: ok 6868 # correct SSSR count
199: ok 6869 # ring membership passed
199: ok 6870 # correct SSSR count
199: ok 6871 # ring membership passed
199: ok 6872 # correct SSSR count
199: ok 6873 # ring membership passed
199: ok 6874 # correct SSSR count
199: ok 6875 # ring membership passed
199: ok 6876 # correct SSSR count
199: ok 6877 # ring membership passed
199: ok 6878 # correct SSSR count
199: ok 6879 # ring membership passed
199: ok 6880 # correct SSSR count
199: ok 6881 # ring membership passed
199: ok 6882 # correct SSSR count
199: ok 6883 # ring membership passed
199: ok 6884 # correct SSSR count
199: ok 6885 # ring membership passed
199: ok 6886 # correct SSSR count
199: ok 6887 # ring membership passed
199: ok 6888 # correct SSSR count
199: ok 6889 # ring membership passed
199: ok 6890 # correct ring bond data
199: ok 6891 # correct ring bond data
199: ok 6892 # correct ring bond data
199: ok 6893 # correct ring bond data
199: ok 6894 # correct ring bond data
199: ok 6895 # correct ring bond data
199: ok 6896 # correct ring bond data
199: ok 6897 # correct ring bond data
199: ok 6898 # correct ring bond data
199: ok 6899 # correct ring bond data
199: ok 6900 # correct ring bond data
199: ok 6901 # correct ring bond data
199: ok 6902 # correct ring bond data
199: ok 6903 # correct ring bond data
199: ok 6904 # SSSR size matches reference
199: ok 6905 # correct SSSR count
199: ok 6906 # ring membership passed
199: ok 6907 # correct SSSR count
199: ok 6908 # ring membership passed
199: ok 6909 # correct SSSR count
199: ok 6910 # ring membership passed
199: ok 6911 # correct SSSR count
199: ok 6912 # ring membership passed
199: ok 6913 # correct SSSR count
199: ok 6914 # ring membership passed
199: ok 6915 # correct SSSR count
199: ok 6916 # ring membership passed
199: ok 6917 # correct SSSR count
199: ok 6918 # ring membership passed
199: ok 6919 # correct SSSR count
199: ok 6920 # ring membership passed
199: ok 6921 # correct SSSR count
199: ok 6922 # ring membership passed
199: ok 6923 # correct SSSR count
199: ok 6924 # ring membership passed
199: ok 6925 # correct SSSR count
199: ok 6926 # ring membership passed
199: ok 6927 # correct SSSR count
199: ok 6928 # ring membership passed
199: ok 6929 # correct SSSR count
199: ok 6930 # ring membership passed
199: ok 6931 # correct SSSR count
199: ok 6932 # ring membership passed
199: ok 6933 # correct ring bond data
199: ok 6934 # correct ring bond data
199: ok 6935 # correct ring bond data
199: ok 6936 # correct ring bond data
199: ok 6937 # correct ring bond data
199: ok 6938 # correct ring bond data
199: ok 6939 # correct ring bond data
199: ok 6940 # correct ring bond data
199: ok 6941 # correct ring bond data
199: ok 6942 # correct ring bond data
199: ok 6943 # correct ring bond data
199: ok 6944 # correct ring bond data
199: ok 6945 # correct ring bond data
199: ok 6946 # correct ring bond data
199: ok 6947 # correct ring bond data
199: ok 6948 # correct ring bond data
199: ok 6949 # correct ring bond data
199: ok 6950 # correct ring bond data
199: ok 6951 # SSSR size matches reference
199: ok 6952 # correct SSSR count
199: ok 6953 # ring membership passed
199: ok 6954 # correct SSSR count
199: ok 6955 # ring membership passed
199: ok 6956 # correct SSSR count
199: ok 6957 # ring membership passed
199: ok 6958 # correct SSSR count
199: ok 6959 # ring membership passed
199: ok 6960 # correct SSSR count
199: ok 6961 # ring membership passed
199: ok 6962 # correct SSSR count
199: ok 6963 # ring membership passed
199: ok 6964 # correct SSSR count
199: ok 6965 # ring membership passed
199: ok 6966 # correct SSSR count
199: ok 6967 # ring membership passed
199: ok 6968 # correct SSSR count
199: ok 6969 # ring membership passed
199: ok 6970 # correct SSSR count
199: ok 6971 # ring membership passed
199: ok 6972 # correct SSSR count
199: ok 6973 # ring membership passed
199: ok 6974 # correct SSSR count
199: ok 6975 # ring membership passed
199: ok 6976 # correct SSSR count
199: ok 6977 # ring membership passed
199: ok 6978 # correct SSSR count
199: ok 6979 # ring membership passed
199: ok 6980 # correct SSSR count
199: ok 6981 # ring membership passed
199: ok 6982 # correct SSSR count
199: ok 6983 # ring membership passed
199: ok 6984 # correct SSSR count
199: ok 6985 # ring membership passed
199: ok 6986 # correct SSSR count
199: ok 6987 # ring membership passed
199: ok 6988 # correct ring bond data
199: ok 6989 # correct ring bond data
199: ok 6990 # correct ring bond data
199: ok 6991 # correct ring bond data
199: ok 6992 # correct ring bond data
199: ok 6993 # correct ring bond data
199: ok 6994 # correct ring bond data
199: ok 6995 # correct ring bond data
199: ok 6996 # correct ring bond data
199: ok 6997 # correct ring bond data
199: ok 6998 # correct ring bond data
199: ok 6999 # correct ring bond data
199: ok 7000 # correct ring bond data
199: ok 7001 # correct ring bond data
199: ok 7002 # correct ring bond data
199: ok 7003 # correct ring bond data
199: ok 7004 # correct ring bond data
199: ok 7005 # correct ring bond data
199: ok 7006 # correct ring bond data
199: ok 7007 # correct ring bond data
199: ok 7008 # correct ring bond data
199: ok 7009 # SSSR size matches reference
199: ok 7010 # correct SSSR count
199: ok 7011 # ring membership passed
199: ok 7012 # correct SSSR count
199: ok 7013 # ring membership passed
199: ok 7014 # correct SSSR count
199: ok 7015 # ring membership passed
199: ok 7016 # correct SSSR count
199: ok 7017 # ring membership passed
199: ok 7018 # correct SSSR count
199: ok 7019 # ring membership passed
199: ok 7020 # correct SSSR count
199: ok 7021 # ring membership passed
199: ok 7022 # correct SSSR count
199: ok 7023 # ring membership passed
199: ok 7024 # correct SSSR count
199: ok 7025 # ring membership passed
199: ok 7026 # correct SSSR count
199: ok 7027 # ring membership passed
199: ok 7028 # correct SSSR count
199: ok 7029 # ring membership passed
199: ok 7030 # correct SSSR count
199: ok 7031 # ring membership passed
199: ok 7032 # correct SSSR count
199: ok 7033 # ring membership passed
199: ok 7034 # correct SSSR count
199: ok 7035 # ring membership passed
199: ok 7036 # correct SSSR count
199: ok 7037 # ring membership passed
199: ok 7038 # correct SSSR count
199: ok 7039 # ring membership passed
199: ok 7040 # correct SSSR count
199: ok 7041 # ring membership passed
199: ok 7042 # correct SSSR count
199: ok 7043 # ring membership passed
199: ok 7044 # correct SSSR count
199: ok 7045 # ring membership passed
199: ok 7046 # correct SSSR count
199: ok 7047 # ring membership passed
199: ok 7048 # correct SSSR count
199: ok 7049 # ring membership passed
199: ok 7050 # correct ring bond data
199: ok 7051 # correct ring bond data
199: ok 7052 # correct ring bond data
199: ok 7053 # correct ring bond data
199: ok 7054 # correct ring bond data
199: ok 7055 # correct ring bond data
199: ok 7056 # correct ring bond data
199: ok 7057 # correct ring bond data
199: ok 7058 # correct ring bond data
199: ok 7059 # correct ring bond data
199: ok 7060 # correct ring bond data
199: ok 7061 # correct ring bond data
199: ok 7062 # correct ring bond data
199: ok 7063 # correct ring bond data
199: ok 7064 # correct ring bond data
199: ok 7065 # correct ring bond data
199: ok 7066 # correct ring bond data
199: ok 7067 # correct ring bond data
199: ok 7068 # correct ring bond data
199: ok 7069 # correct ring bond data
199: ok 7070 # correct ring bond data
199: ok 7071 # correct ring bond data
199: ok 7072 # correct ring bond data
199: ok 7073 # SSSR size matches reference
199: ok 7074 # correct SSSR count
199: ok 7075 # ring membership passed
199: ok 7076 # correct SSSR count
199: ok 7077 # ring membership passed
199: ok 7078 # correct SSSR count
199: ok 7079 # ring membership passed
199: ok 7080 # correct SSSR count
199: ok 7081 # ring membership passed
199: ok 7082 # correct SSSR count
199: ok 7083 # ring membership passed
199: ok 7084 # correct SSSR count
199: ok 7085 # ring membership passed
199: ok 7086 # correct SSSR count
199: ok 7087 # ring membership passed
199: ok 7088 # correct SSSR count
199: ok 7089 # ring membership passed
199: ok 7090 # correct SSSR count
199: ok 7091 # ring membership passed
199: ok 7092 # correct SSSR count
199: ok 7093 # ring membership passed
199: ok 7094 # correct SSSR count
199: ok 7095 # ring membership passed
199: ok 7096 # correct SSSR count
199: ok 7097 # ring membership passed
199: ok 7098 # correct SSSR count
199: ok 7099 # ring membership passed
199: ok 7100 # correct SSSR count
199: ok 7101 # ring membership passed
199: ok 7102 # correct SSSR count
199: ok 7103 # ring membership passed
199: ok 7104 # correct SSSR count
199: ok 7105 # ring membership passed
199: ok 7106 # correct SSSR count
199: ok 7107 # ring membership passed
199: ok 7108 # correct SSSR count
199: ok 7109 # ring membership passed
199: ok 7110 # correct SSSR count
199: ok 7111 # ring membership passed
199: ok 7112 # correct SSSR count
199: ok 7113 # ring membership passed
199: ok 7114 # correct ring bond data
199: ok 7115 # correct ring bond data
199: ok 7116 # correct ring bond data
199: ok 7117 # correct ring bond data
199: ok 7118 # correct ring bond data
199: ok 7119 # correct ring bond data
199: ok 7120 # correct ring bond data
199: ok 7121 # correct ring bond data
199: ok 7122 # correct ring bond data
199: ok 7123 # correct ring bond data
199: ok 7124 # correct ring bond data
199: ok 7125 # SSSR size matches reference
199: ok 7126 # correct SSSR count
199: ok 7127 # ring membership passed
199: ok 7128 # correct SSSR count
199: ok 7129 # ring membership passed
199: ok 7130 # correct SSSR count
199: ok 7131 # ring membership passed
199: ok 7132 # correct SSSR count
199: ok 7133 # ring membership passed
199: ok 7134 # correct SSSR count
199: ok 7135 # ring membership passed
199: ok 7136 # correct SSSR count
199: ok 7137 # ring membership passed
199: ok 7138 # correct SSSR count
199: ok 7139 # ring membership passed
199: ok 7140 # correct SSSR count
199: ok 7141 # ring membership passed
199: ok 7142 # correct SSSR count
199: ok 7143 # ring membership passed
199: ok 7144 # correct SSSR count
199: ok 7145 # ring membership passed
199: ok 7146 # correct SSSR count
199: ok 7147 # ring membership passed
199: ok 7148 # correct SSSR count
199: ok 7149 # ring membership passed
199: ok 7150 # correct ring bond data
199: ok 7151 # correct ring bond data
199: ok 7152 # correct ring bond data
199: ok 7153 # correct ring bond data
199: ok 7154 # correct ring bond data
199: ok 7155 # correct ring bond data
199: ok 7156 # correct ring bond data
199: ok 7157 # correct ring bond data
199: ok 7158 # correct ring bond data
199: ok 7159 # correct ring bond data
199: ok 7160 # correct ring bond data
199: ok 7161 # correct ring bond data
199: ok 7162 # correct ring bond data
199: ok 7163 # correct ring bond data
199: ok 7164 # correct ring bond data
199: ok 7165 # correct ring bond data
199: ok 7166 # correct ring bond data
199: ok 7167 # correct ring bond data
199: ok 7168 # correct ring bond data
199: ok 7169 # correct ring bond data
199: ok 7170 # correct ring bond data
199: ok 7171 # correct ring bond data
199: ok 7172 # correct ring bond data
199: ok 7173 # correct ring bond data
199: ok 7174 # correct ring bond data
199: ok 7175 # correct ring bond data
199: ok 7176 # correct ring bond data
199: ok 7177 # correct ring bond data
199: ok 7178 # correct ring bond data
199: ok 7179 # correct ring bond data
199: ok 7180 # SSSR size matches reference
199: ok 7181 # correct SSSR count
199: ok 7182 # ring membership passed
199: ok 7183 # correct SSSR count
199: ok 7184 # ring membership passed
199: ok 7185 # correct SSSR count
199: ok 7186 # ring membership passed
199: ok 7187 # correct SSSR count
199: ok 7188 # ring membership passed
199: ok 7189 # correct SSSR count
199: ok 7190 # ring membership passed
199: ok 7191 # correct SSSR count
199: ok 7192 # ring membership passed
199: ok 7193 # correct SSSR count
199: ok 7194 # ring membership passed
199: ok 7195 # correct SSSR count
199: ok 7196 # ring membership passed
199: ok 7197 # correct SSSR count
199: ok 7198 # ring membership passed
199: ok 7199 # correct SSSR count
199: ok 7200 # ring membership passed
199: ok 7201 # correct SSSR count
199: ok 7202 # ring membership passed
199: ok 7203 # correct SSSR count
199: ok 7204 # ring membership passed
199: ok 7205 # correct SSSR count
199: ok 7206 # ring membership passed
199: ok 7207 # correct SSSR count
199: ok 7208 # ring membership passed
199: ok 7209 # correct SSSR count
199: ok 7210 # ring membership passed
199: ok 7211 # correct SSSR count
199: ok 7212 # ring membership passed
199: ok 7213 # correct SSSR count
199: ok 7214 # ring membership passed
199: ok 7215 # correct SSSR count
199: ok 7216 # ring membership passed
199: ok 7217 # correct SSSR count
199: ok 7218 # ring membership passed
199: ok 7219 # correct SSSR count
199: ok 7220 # ring membership passed
199: ok 7221 # correct SSSR count
199: ok 7222 # ring membership passed
199: ok 7223 # correct SSSR count
199: ok 7224 # ring membership passed
199: ok 7225 # correct SSSR count
199: ok 7226 # ring membership passed
199: ok 7227 # correct SSSR count
199: ok 7228 # ring membership passed
199: ok 7229 # correct SSSR count
199: ok 7230 # ring membership passed
199: ok 7231 # correct SSSR count
199: ok 7232 # ring membership passed
199: ok 7233 # correct ring bond data
199: ok 7234 # correct ring bond data
199: ok 7235 # correct ring bond data
199: ok 7236 # correct ring bond data
199: ok 7237 # correct ring bond data
199: ok 7238 # correct ring bond data
199: ok 7239 # correct ring bond data
199: ok 7240 # correct ring bond data
199: ok 7241 # correct ring bond data
199: ok 7242 # correct ring bond data
199: ok 7243 # correct ring bond data
199: ok 7244 # correct ring bond data
199: ok 7245 # SSSR size matches reference
199: ok 7246 # correct SSSR count
199: ok 7247 # ring membership passed
199: ok 7248 # correct SSSR count
199: ok 7249 # ring membership passed
199: ok 7250 # correct SSSR count
199: ok 7251 # ring membership passed
199: ok 7252 # correct SSSR count
199: ok 7253 # ring membership passed
199: ok 7254 # correct SSSR count
199: ok 7255 # ring membership passed
199: ok 7256 # correct SSSR count
199: ok 7257 # ring membership passed
199: ok 7258 # correct SSSR count
199: ok 7259 # ring membership passed
199: ok 7260 # correct SSSR count
199: ok 7261 # ring membership passed
199: ok 7262 # correct SSSR count
199: ok 7263 # ring membership passed
199: ok 7264 # correct SSSR count
199: ok 7265 # ring membership passed
199: ok 7266 # correct SSSR count
199: ok 7267 # ring membership passed
199: ok 7268 # correct ring bond data
199: ok 7269 # correct ring bond data
199: ok 7270 # correct ring bond data
199: ok 7271 # correct ring bond data
199: ok 7272 # correct ring bond data
199: ok 7273 # correct ring bond data
199: ok 7274 # correct ring bond data
199: ok 7275 # correct ring bond data
199: ok 7276 # correct ring bond data
199: ok 7277 # correct ring bond data
199: ok 7278 # correct ring bond data
199: ok 7279 # correct ring bond data
199: ok 7280 # correct ring bond data
199: ok 7281 # correct ring bond data
199: ok 7282 # correct ring bond data
199: ok 7283 # correct ring bond data
199: ok 7284 # correct ring bond data
199: ok 7285 # correct ring bond data
199: ok 7286 # correct ring bond data
199: ok 7287 # correct ring bond data
199: ok 7288 # correct ring bond data
199: ok 7289 # correct ring bond data
199: ok 7290 # correct ring bond data
199: ok 7291 # SSSR size matches reference
199: ok 7292 # correct SSSR count
199: ok 7293 # ring membership passed
199: ok 7294 # correct SSSR count
199: ok 7295 # ring membership passed
199: ok 7296 # correct SSSR count
199: ok 7297 # ring membership passed
199: ok 7298 # correct SSSR count
199: ok 7299 # ring membership passed
199: ok 7300 # correct SSSR count
199: ok 7301 # ring membership passed
199: ok 7302 # correct SSSR count
199: ok 7303 # ring membership passed
199: ok 7304 # correct SSSR count
199: ok 7305 # ring membership passed
199: ok 7306 # correct SSSR count
199: ok 7307 # ring membership passed
199: ok 7308 # correct SSSR count
199: ok 7309 # ring membership passed
199: ok 7310 # correct SSSR count
199: ok 7311 # ring membership passed
199: ok 7312 # correct SSSR count
199: ok 7313 # ring membership passed
199: ok 7314 # correct SSSR count
199: ok 7315 # ring membership passed
199: ok 7316 # correct SSSR count
199: ok 7317 # ring membership passed
199: ok 7318 # correct SSSR count
199: ok 7319 # ring membership passed
199: ok 7320 # correct SSSR count
199: ok 7321 # ring membership passed
199: ok 7322 # correct SSSR count
199: ok 7323 # ring membership passed
199: ok 7324 # correct SSSR count
199: ok 7325 # ring membership passed
199: ok 7326 # correct SSSR count
199: ok 7327 # ring membership passed
199: ok 7328 # correct SSSR count
199: ok 7329 # ring membership passed
199: ok 7330 # correct SSSR count
199: ok 7331 # ring membership passed
199: ok 7332 # correct ring bond data
199: ok 7333 # correct ring bond data
199: ok 7334 # correct ring bond data
199: ok 7335 # correct ring bond data
199: ok 7336 # correct ring bond data
199: ok 7337 # correct ring bond data
199: ok 7338 # correct ring bond data
199: ok 7339 # correct ring bond data
199: ok 7340 # correct ring bond data
199: ok 7341 # correct ring bond data
199: ok 7342 # correct ring bond data
199: ok 7343 # correct ring bond data
199: ok 7344 # correct ring bond data
199: ok 7345 # SSSR size matches reference
199: ok 7346 # correct SSSR count
199: ok 7347 # ring membership passed
199: ok 7348 # correct SSSR count
199: ok 7349 # ring membership passed
199: ok 7350 # correct SSSR count
199: ok 7351 # ring membership passed
199: ok 7352 # correct SSSR count
199: ok 7353 # ring membership passed
199: ok 7354 # correct SSSR count
199: ok 7355 # ring membership passed
199: ok 7356 # correct SSSR count
199: ok 7357 # ring membership passed
199: ok 7358 # correct SSSR count
199: ok 7359 # ring membership passed
199: ok 7360 # correct SSSR count
199: ok 7361 # ring membership passed
199: ok 7362 # correct SSSR count
199: ok 7363 # ring membership passed
199: ok 7364 # correct SSSR count
199: ok 7365 # ring membership passed
199: ok 7366 # correct SSSR count
199: ok 7367 # ring membership passed
199: ok 7368 # correct SSSR count
199: ok 7369 # ring membership passed
199: ok 7370 # correct SSSR count
199: ok 7371 # ring membership passed
199: ok 7372 # correct SSSR count
199: ok 7373 # ring membership passed
199: ok 7374 # correct ring bond data
199: ok 7375 # correct ring bond data
199: ok 7376 # correct ring bond data
199: ok 7377 # correct ring bond data
199: ok 7378 # correct ring bond data
199: ok 7379 # correct ring bond data
199: ok 7380 # correct ring bond data
199: ok 7381 # correct ring bond data
199: ok 7382 # correct ring bond data
199: ok 7383 # correct ring bond data
199: ok 7384 # correct ring bond data
199: ok 7385 # correct ring bond data
199: ok 7386 # correct ring bond data
199: ok 7387 # correct ring bond data
199: ok 7388 # correct ring bond data
199: ok 7389 # correct ring bond data
199: ok 7390 # correct ring bond data
199: ok 7391 # correct ring bond data
199: ok 7392 # correct ring bond data
199: ok 7393 # correct ring bond data
199: ok 7394 # correct ring bond data
199: ok 7395 # correct ring bond data
199: ok 7396 # correct ring bond data
199: ok 7397 # correct ring bond data
199: ok 7398 # correct ring bond data
199: ok 7399 # correct ring bond data
199: ok 7400 # correct ring bond data
199: ok 7401 # SSSR size matches reference
199: ok 7402 # correct SSSR count
199: ok 7403 # ring membership passed
199: ok 7404 # correct SSSR count
199: ok 7405 # ring membership passed
199: ok 7406 # correct SSSR count
199: ok 7407 # ring membership passed
199: ok 7408 # correct SSSR count
199: ok 7409 # ring membership passed
199: ok 7410 # correct SSSR count
199: ok 7411 # ring membership passed
199: ok 7412 # correct SSSR count
199: ok 7413 # ring membership passed
199: ok 7414 # correct SSSR count
199: ok 7415 # ring membership passed
199: ok 7416 # correct SSSR count
199: ok 7417 # ring membership passed
199: ok 7418 # correct SSSR count
199: ok 7419 # ring membership passed
199: ok 7420 # correct SSSR count
199: ok 7421 # ring membership passed
199: ok 7422 # correct SSSR count
199: ok 7423 # ring membership passed
199: ok 7424 # correct SSSR count
199: ok 7425 # ring membership passed
199: ok 7426 # correct SSSR count
199: ok 7427 # ring membership passed
199: ok 7428 # correct SSSR count
199: ok 7429 # ring membership passed
199: ok 7430 # correct SSSR count
199: ok 7431 # ring membership passed
199: ok 7432 # correct SSSR count
199: ok 7433 # ring membership passed
199: ok 7434 # correct SSSR count
199: ok 7435 # ring membership passed
199: ok 7436 # correct SSSR count
199: ok 7437 # ring membership passed
199: ok 7438 # correct SSSR count
199: ok 7439 # ring membership passed
199: ok 7440 # correct SSSR count
199: ok 7441 # ring membership passed
199: ok 7442 # correct SSSR count
199: ok 7443 # ring membership passed
199: ok 7444 # correct SSSR count
199: ok 7445 # ring membership passed
199: ok 7446 # correct SSSR count
199: ok 7447 # ring membership passed
199: ok 7448 # correct SSSR count
199: ok 7449 # ring membership passed
199: ok 7450 # correct SSSR count
199: ok 7451 # ring membership passed
199: ok 7452 # correct SSSR count
199: ok 7453 # ring membership passed
199: ok 7454 # correct ring bond data
199: ok 7455 # correct ring bond data
199: ok 7456 # correct ring bond data
199: ok 7457 # correct ring bond data
199: ok 7458 # correct ring bond data
199: ok 7459 # correct ring bond data
199: ok 7460 # correct ring bond data
199: ok 7461 # correct ring bond data
199: ok 7462 # correct ring bond data
199: ok 7463 # correct ring bond data
199: ok 7464 # correct ring bond data
199: ok 7465 # correct ring bond data
199: ok 7466 # correct ring bond data
199: ok 7467 # correct ring bond data
199: ok 7468 # correct ring bond data
199: ok 7469 # correct ring bond data
199: ok 7470 # correct ring bond data
199: ok 7471 # correct ring bond data
199: ok 7472 # correct ring bond data
199: ok 7473 # correct ring bond data
199: ok 7474 # correct ring bond data
199: ok 7475 # correct ring bond data
199: ok 7476 # correct ring bond data
199: ok 7477 # correct ring bond data
199: ok 7478 # correct ring bond data
199: ok 7479 # correct ring bond data
199: ok 7480 # correct ring bond data
199: ok 7481 # SSSR size matches reference
199: ok 7482 # correct SSSR count
199: ok 7483 # ring membership passed
199: ok 7484 # correct SSSR count
199: ok 7485 # ring membership passed
199: ok 7486 # correct SSSR count
199: ok 7487 # ring membership passed
199: ok 7488 # correct SSSR count
199: ok 7489 # ring membership passed
199: ok 7490 # correct SSSR count
199: ok 7491 # ring membership passed
199: ok 7492 # correct SSSR count
199: ok 7493 # ring membership passed
199: ok 7494 # correct SSSR count
199: ok 7495 # ring membership passed
199: ok 7496 # correct SSSR count
199: ok 7497 # ring membership passed
199: ok 7498 # correct SSSR count
199: ok 7499 # ring membership passed
199: ok 7500 # correct SSSR count
199: ok 7501 # ring membership passed
199: ok 7502 # correct SSSR count
199: ok 7503 # ring membership passed
199: ok 7504 # correct SSSR count
199: ok 7505 # ring membership passed
199: ok 7506 # correct SSSR count
199: ok 7507 # ring membership passed
199: ok 7508 # correct SSSR count
199: ok 7509 # ring membership passed
199: ok 7510 # correct SSSR count
199: ok 7511 # ring membership passed
199: ok 7512 # correct SSSR count
199: ok 7513 # ring membership passed
199: ok 7514 # correct SSSR count
199: ok 7515 # ring membership passed
199: ok 7516 # correct SSSR count
199: ok 7517 # ring membership passed
199: ok 7518 # correct SSSR count
199: ok 7519 # ring membership passed
199: ok 7520 # correct SSSR count
199: ok 7521 # ring membership passed
199: ok 7522 # correct SSSR count
199: ok 7523 # ring membership passed
199: ok 7524 # correct SSSR count
199: ok 7525 # ring membership passed
199: ok 7526 # correct SSSR count
199: ok 7527 # ring membership passed
199: ok 7528 # correct ring bond data
199: ok 7529 # correct ring bond data
199: ok 7530 # correct ring bond data
199: ok 7531 # correct ring bond data
199: ok 7532 # correct ring bond data
199: ok 7533 # correct ring bond data
199: ok 7534 # correct ring bond data
199: ok 7535 # correct ring bond data
199: ok 7536 # correct ring bond data
199: ok 7537 # correct ring bond data
199: ok 7538 # correct ring bond data
199: ok 7539 # correct ring bond data
199: ok 7540 # correct ring bond data
199: ok 7541 # correct ring bond data
199: ok 7542 # correct ring bond data
199: ok 7543 # SSSR size matches reference
199: ok 7544 # correct SSSR count
199: ok 7545 # ring membership passed
199: ok 7546 # correct SSSR count
199: ok 7547 # ring membership passed
199: ok 7548 # correct SSSR count
199: ok 7549 # ring membership passed
199: ok 7550 # correct SSSR count
199: ok 7551 # ring membership passed
199: ok 7552 # correct SSSR count
199: ok 7553 # ring membership passed
199: ok 7554 # correct SSSR count
199: ok 7555 # ring membership passed
199: ok 7556 # correct SSSR count
199: ok 7557 # ring membership passed
199: ok 7558 # correct SSSR count
199: ok 7559 # ring membership passed
199: ok 7560 # correct SSSR count
199: ok 7561 # ring membership passed
199: ok 7562 # correct SSSR count
199: ok 7563 # ring membership passed
199: ok 7564 # correct SSSR count
199: ok 7565 # ring membership passed
199: ok 7566 # correct SSSR count
199: ok 7567 # ring membership passed
199: ok 7568 # correct SSSR count
199: ok 7569 # ring membership passed
199: ok 7570 # correct SSSR count
199: ok 7571 # ring membership passed
199: ok 7572 # correct ring bond data
199: ok 7573 # correct ring bond data
199: ok 7574 # correct ring bond data
199: ok 7575 # correct ring bond data
199: ok 7576 # correct ring bond data
199: ok 7577 # correct ring bond data
199: ok 7578 # correct ring bond data
199: ok 7579 # correct ring bond data
199: ok 7580 # correct ring bond data
199: ok 7581 # correct ring bond data
199: ok 7582 # correct ring bond data
199: ok 7583 # correct ring bond data
199: ok 7584 # correct ring bond data
199: ok 7585 # SSSR size matches reference
199: ok 7586 # correct SSSR count
199: ok 7587 # ring membership passed
199: ok 7588 # correct SSSR count
199: ok 7589 # ring membership passed
199: ok 7590 # correct SSSR count
199: ok 7591 # ring membership passed
199: ok 7592 # correct SSSR count
199: ok 7593 # ring membership passed
199: ok 7594 # correct SSSR count
199: ok 7595 # ring membership passed
199: ok 7596 # correct SSSR count
199: ok 7597 # ring membership passed
199: ok 7598 # correct SSSR count
199: ok 7599 # ring membership passed
199: ok 7600 # correct SSSR count
199: ok 7601 # ring membership passed
199: ok 7602 # correct SSSR count
199: ok 7603 # ring membership passed
199: ok 7604 # correct SSSR count
199: ok 7605 # ring membership passed
199: ok 7606 # correct SSSR count
199: ok 7607 # ring membership passed
199: ok 7608 # correct SSSR count
199: ok 7609 # ring membership passed
199: ok 7610 # correct SSSR count
199: ok 7611 # ring membership passed
199: ok 7612 # correct SSSR count
199: ok 7613 # ring membership passed
199: ok 7614 # correct ring bond data
199: ok 7615 # correct ring bond data
199: ok 7616 # correct ring bond data
199: ok 7617 # correct ring bond data
199: ok 7618 # correct ring bond data
199: ok 7619 # correct ring bond data
199: ok 7620 # correct ring bond data
199: ok 7621 # correct ring bond data
199: ok 7622 # correct ring bond data
199: ok 7623 # correct ring bond data
199: ok 7624 # correct ring bond data
199: ok 7625 # correct ring bond data
199: ok 7626 # correct ring bond data
199: ok 7627 # correct ring bond data
199: ok 7628 # correct ring bond data
199: ok 7629 # correct ring bond data
199: ok 7630 # correct ring bond data
199: ok 7631 # correct ring bond data
199: ok 7632 # correct ring bond data
199: ok 7633 # correct ring bond data
199: ok 7634 # correct ring bond data
199: ok 7635 # correct ring bond data
199: ok 7636 # correct ring bond data
199: ok 7637 # correct ring bond data
199: ok 7638 # correct ring bond data
199: ok 7639 # correct ring bond data
199: ok 7640 # correct ring bond data
199: ok 7641 # correct ring bond data
199: ok 7642 # correct ring bond data
199: ok 7643 # correct ring bond data
199: ok 7644 # correct ring bond data
199: ok 7645 # correct ring bond data
199: ok 7646 # correct ring bond data
199: ok 7647 # SSSR size matches reference
199: ok 7648 # correct SSSR count
199: ok 7649 # ring membership passed
199: ok 7650 # correct SSSR count
199: ok 7651 # ring membership passed
199: ok 7652 # correct SSSR count
199: ok 7653 # ring membership passed
199: ok 7654 # correct SSSR count
199: ok 7655 # ring membership passed
199: ok 7656 # correct SSSR count
199: ok 7657 # ring membership passed
199: ok 7658 # correct SSSR count
199: ok 7659 # ring membership passed
199: ok 7660 # correct SSSR count
199: ok 7661 # ring membership passed
199: ok 7662 # correct SSSR count
199: ok 7663 # ring membership passed
199: ok 7664 # correct SSSR count
199: ok 7665 # ring membership passed
199: ok 7666 # correct SSSR count
199: ok 7667 # ring membership passed
199: ok 7668 # correct SSSR count
199: ok 7669 # ring membership passed
199: ok 7670 # correct SSSR count
199: ok 7671 # ring membership passed
199: ok 7672 # correct SSSR count
199: ok 7673 # ring membership passed
199: ok 7674 # correct SSSR count
199: ok 7675 # ring membership passed
199: ok 7676 # correct SSSR count
199: ok 7677 # ring membership passed
199: ok 7678 # correct SSSR count
199: ok 7679 # ring membership passed
199: ok 7680 # correct SSSR count
199: ok 7681 # ring membership passed
199: ok 7682 # correct SSSR count
199: ok 7683 # ring membership passed
199: ok 7684 # correct SSSR count
199: ok 7685 # ring membership passed
199: ok 7686 # correct SSSR count
199: ok 7687 # ring membership passed
199: ok 7688 # correct SSSR count
199: ok 7689 # ring membership passed
199: ok 7690 # correct SSSR count
199: ok 7691 # ring membership passed
199: ok 7692 # correct SSSR count
199: ok 7693 # ring membership passed
199: ok 7694 # correct SSSR count
199: ok 7695 # ring membership passed
199: ok 7696 # correct SSSR count
199: ok 7697 # ring membership passed
199: ok 7698 # correct SSSR count
199: ok 7699 # ring membership passed
199: ok 7700 # correct SSSR count
199: ok 7701 # ring membership passed
199: ok 7702 # correct SSSR count
199: ok 7703 # ring membership passed
199: ok 7704 # correct SSSR count
199: ok 7705 # ring membership passed
199: ok 7706 # correct SSSR count
199: ok 7707 # ring membership passed
199: ok 7708 # correct ring bond data
199: ok 7709 # correct ring bond data
199: ok 7710 # correct ring bond data
199: ok 7711 # correct ring bond data
199: ok 7712 # correct ring bond data
199: ok 7713 # correct ring bond data
199: ok 7714 # correct ring bond data
199: ok 7715 # correct ring bond data
199: ok 7716 # correct ring bond data
199: ok 7717 # correct ring bond data
199: ok 7718 # correct ring bond data
199: ok 7719 # correct ring bond data
199: ok 7720 # correct ring bond data
199: ok 7721 # correct ring bond data
199: ok 7722 # correct ring bond data
199: ok 7723 # correct ring bond data
199: ok 7724 # correct ring bond data
199: ok 7725 # correct ring bond data
199: ok 7726 # correct ring bond data
199: ok 7727 # correct ring bond data
199: ok 7728 # correct ring bond data
199: ok 7729 # SSSR size matches reference
199: ok 7730 # correct SSSR count
199: ok 7731 # ring membership passed
199: ok 7732 # correct SSSR count
199: ok 7733 # ring membership passed
199: ok 7734 # correct SSSR count
199: ok 7735 # ring membership passed
199: ok 7736 # correct SSSR count
199: ok 7737 # ring membership passed
199: ok 7738 # correct SSSR count
199: ok 7739 # ring membership passed
199: ok 7740 # correct SSSR count
199: ok 7741 # ring membership passed
199: ok 7742 # correct SSSR count
199: ok 7743 # ring membership passed
199: ok 7744 # correct SSSR count
199: ok 7745 # ring membership passed
199: ok 7746 # correct SSSR count
199: ok 7747 # ring membership passed
199: ok 7748 # correct SSSR count
199: ok 7749 # ring membership passed
199: ok 7750 # correct SSSR count
199: ok 7751 # ring membership passed
199: ok 7752 # correct SSSR count
199: ok 7753 # ring membership passed
199: ok 7754 # correct SSSR count
199: ok 7755 # ring membership passed
199: ok 7756 # correct SSSR count
199: ok 7757 # ring membership passed
199: ok 7758 # correct SSSR count
199: ok 7759 # ring membership passed
199: ok 7760 # correct SSSR count
199: ok 7761 # ring membership passed
199: ok 7762 # correct SSSR count
199: ok 7763 # ring membership passed
199: ok 7764 # correct SSSR count
199: ok 7765 # ring membership passed
199: ok 7766 # correct SSSR count
199: ok 7767 # ring membership passed
199: ok 7768 # correct SSSR count
199: ok 7769 # ring membership passed
199: ok 7770 # correct ring bond data
199: ok 7771 # correct ring bond data
199: ok 7772 # correct ring bond data
199: ok 7773 # correct ring bond data
199: ok 7774 # correct ring bond data
199: ok 7775 # correct ring bond data
199: ok 7776 # correct ring bond data
199: ok 7777 # correct ring bond data
199: ok 7778 # correct ring bond data
199: ok 7779 # correct ring bond data
199: ok 7780 # correct ring bond data
199: ok 7781 # correct ring bond data
199: ok 7782 # correct ring bond data
199: ok 7783 # correct ring bond data
199: ok 7784 # correct ring bond data
199: ok 7785 # correct ring bond data
199: ok 7786 # correct ring bond data
199: ok 7787 # correct ring bond data
199: ok 7788 # correct ring bond data
199: ok 7789 # correct ring bond data
199: ok 7790 # correct ring bond data
199: ok 7791 # correct ring bond data
199: ok 7792 # correct ring bond data
199: ok 7793 # correct ring bond data
199: ok 7794 # correct ring bond data
199: ok 7795 # correct ring bond data
199: ok 7796 # correct ring bond data
199: ok 7797 # SSSR size matches reference
199: ok 7798 # correct SSSR count
199: ok 7799 # ring membership passed
199: ok 7800 # correct SSSR count
199: ok 7801 # ring membership passed
199: ok 7802 # correct SSSR count
199: ok 7803 # ring membership passed
199: ok 7804 # correct SSSR count
199: ok 7805 # ring membership passed
199: ok 7806 # correct SSSR count
199: ok 7807 # ring membership passed
199: ok 7808 # correct SSSR count
199: ok 7809 # ring membership passed
199: ok 7810 # correct SSSR count
199: ok 7811 # ring membership passed
199: ok 7812 # correct SSSR count
199: ok 7813 # ring membership passed
199: ok 7814 # correct SSSR count
199: ok 7815 # ring membership passed
199: ok 7816 # correct SSSR count
199: ok 7817 # ring membership passed
199: ok 7818 # correct SSSR count
199: ok 7819 # ring membership passed
199: ok 7820 # correct SSSR count
199: ok 7821 # ring membership passed
199: ok 7822 # correct SSSR count
199: ok 7823 # ring membership passed
199: ok 7824 # correct SSSR count
199: ok 7825 # ring membership passed
199: ok 7826 # correct SSSR count
199: ok 7827 # ring membership passed
199: ok 7828 # correct SSSR count
199: ok 7829 # ring membership passed
199: ok 7830 # correct SSSR count
199: ok 7831 # ring membership passed
199: ok 7832 # correct SSSR count
199: ok 7833 # ring membership passed
199: ok 7834 # correct SSSR count
199: ok 7835 # ring membership passed
199: ok 7836 # correct SSSR count
199: ok 7837 # ring membership passed
199: ok 7838 # correct SSSR count
199: ok 7839 # ring membership passed
199: ok 7840 # correct SSSR count
199: ok 7841 # ring membership passed
199: ok 7842 # correct SSSR count
199: ok 7843 # ring membership passed
199: ok 7844 # correct SSSR count
199: ok 7845 # ring membership passed
199: ok 7846 # correct SSSR count
199: ok 7847 # ring membership passed
199: ok 7848 # correct SSSR count
199: ok 7849 # ring membership passed
199: ok 7850 # correct ring bond data
199: ok 7851 # correct ring bond data
199: ok 7852 # correct ring bond data
199: ok 7853 # correct ring bond data
199: ok 7854 # correct ring bond data
199: ok 7855 # correct ring bond data
199: ok 7856 # correct ring bond data
199: ok 7857 # correct ring bond data
199: ok 7858 # correct ring bond data
199: ok 7859 # correct ring bond data
199: ok 7860 # correct ring bond data
199: ok 7861 # correct ring bond data
199: ok 7862 # correct ring bond data
199: ok 7863 # correct ring bond data
199: ok 7864 # correct ring bond data
199: ok 7865 # correct ring bond data
199: ok 7866 # correct ring bond data
199: ok 7867 # correct ring bond data
199: ok 7868 # correct ring bond data
199: ok 7869 # correct ring bond data
199: ok 7870 # correct ring bond data
199: ok 7871 # correct ring bond data
199: ok 7872 # correct ring bond data
199: ok 7873 # correct ring bond data
199: ok 7874 # correct ring bond data
199: ok 7875 # SSSR size matches reference
199: ok 7876 # correct SSSR count
199: ok 7877 # ring membership passed
199: ok 7878 # correct SSSR count
199: ok 7879 # ring membership passed
199: ok 7880 # correct SSSR count
199: ok 7881 # ring membership passed
199: ok 7882 # correct SSSR count
199: ok 7883 # ring membership passed
199: ok 7884 # correct SSSR count
199: ok 7885 # ring membership passed
199: ok 7886 # correct SSSR count
199: ok 7887 # ring membership passed
199: ok 7888 # correct SSSR count
199: ok 7889 # ring membership passed
199: ok 7890 # correct SSSR count
199: ok 7891 # ring membership passed
199: ok 7892 # correct SSSR count
199: ok 7893 # ring membership passed
199: ok 7894 # correct SSSR count
199: ok 7895 # ring membership passed
199: ok 7896 # correct SSSR count
199: ok 7897 # ring membership passed
199: ok 7898 # correct SSSR count
199: ok 7899 # ring membership passed
199: ok 7900 # correct SSSR count
199: ok 7901 # ring membership passed
199: ok 7902 # correct SSSR count
199: ok 7903 # ring membership passed
199: ok 7904 # correct SSSR count
199: ok 7905 # ring membership passed
199: ok 7906 # correct SSSR count
199: ok 7907 # ring membership passed
199: ok 7908 # correct SSSR count
199: ok 7909 # ring membership passed
199: ok 7910 # correct SSSR count
199: ok 7911 # ring membership passed
199: ok 7912 # correct SSSR count
199: ok 7913 # ring membership passed
199: ok 7914 # correct SSSR count
199: ok 7915 # ring membership passed
199: ok 7916 # correct SSSR count
199: ok 7917 # ring membership passed
199: ok 7918 # correct SSSR count
199: ok 7919 # ring membership passed
199: ok 7920 # correct SSSR count
199: ok 7921 # ring membership passed
199: ok 7922 # correct SSSR count
199: ok 7923 # ring membership passed
199: ok 7924 # correct ring bond data
199: ok 7925 # correct ring bond data
199: ok 7926 # correct ring bond data
199: ok 7927 # correct ring bond data
199: ok 7928 # correct ring bond data
199: ok 7929 # correct ring bond data
199: ok 7930 # correct ring bond data
199: ok 7931 # correct ring bond data
199: ok 7932 # correct ring bond data
199: ok 7933 # correct ring bond data
199: ok 7934 # correct ring bond data
199: ok 7935 # correct ring bond data
199: ok 7936 # correct ring bond data
199: ok 7937 # correct ring bond data
199: ok 7938 # correct ring bond data
199: ok 7939 # correct ring bond data
199: ok 7940 # correct ring bond data
199: ok 7941 # correct ring bond data
199: ok 7942 # correct ring bond data
199: ok 7943 # correct ring bond data
199: ok 7944 # correct ring bond data
199: ok 7945 # correct ring bond data
199: ok 7946 # correct ring bond data
199: ok 7947 # correct ring bond data
199: ok 7948 # correct ring bond data
199: ok 7949 # correct ring bond data
199: ok 7950 # correct ring bond data
199: ok 7951 # correct ring bond data
199: ok 7952 # correct ring bond data
199: ok 7953 # correct ring bond data
199: ok 7954 # correct ring bond data
199: ok 7955 # correct ring bond data
199: ok 7956 # correct ring bond data
199: ok 7957 # SSSR size matches reference
199: ok 7958 # correct SSSR count
199: ok 7959 # ring membership passed
199: ok 7960 # correct SSSR count
199: ok 7961 # ring membership passed
199: ok 7962 # correct SSSR count
199: ok 7963 # ring membership passed
199: ok 7964 # correct SSSR count
199: ok 7965 # ring membership passed
199: ok 7966 # correct SSSR count
199: ok 7967 # ring membership passed
199: ok 7968 # correct SSSR count
199: ok 7969 # ring membership passed
199: ok 7970 # correct SSSR count
199: ok 7971 # ring membership passed
199: ok 7972 # correct SSSR count
199: ok 7973 # ring membership passed
199: ok 7974 # correct SSSR count
199: ok 7975 # ring membership passed
199: ok 7976 # correct SSSR count
199: ok 7977 # ring membership passed
199: ok 7978 # correct SSSR count
199: ok 7979 # ring membership passed
199: ok 7980 # correct SSSR count
199: ok 7981 # ring membership passed
199: ok 7982 # correct SSSR count
199: ok 7983 # ring membership passed
199: ok 7984 # correct SSSR count
199: ok 7985 # ring membership passed
199: ok 7986 # correct SSSR count
199: ok 7987 # ring membership passed
199: ok 7988 # correct SSSR count
199: ok 7989 # ring membership passed
199: ok 7990 # correct SSSR count
199: ok 7991 # ring membership passed
199: ok 7992 # correct SSSR count
199: ok 7993 # ring membership passed
199: ok 7994 # correct SSSR count
199: ok 7995 # ring membership passed
199: ok 7996 # correct SSSR count
199: ok 7997 # ring membership passed
199: ok 7998 # correct SSSR count
199: ok 7999 # ring membership passed
199: ok 8000 # correct SSSR count
199: ok 8001 # ring membership passed
199: ok 8002 # correct SSSR count
199: ok 8003 # ring membership passed
199: ok 8004 # correct SSSR count
199: ok 8005 # ring membership passed
199: ok 8006 # correct SSSR count
199: ok 8007 # ring membership passed
199: ok 8008 # correct SSSR count
199: ok 8009 # ring membership passed
199: ok 8010 # correct SSSR count
199: ok 8011 # ring membership passed
199: ok 8012 # correct SSSR count
199: ok 8013 # ring membership passed
199: ok 8014 # correct SSSR count
199: ok 8015 # ring membership passed
199: ok 8016 # correct SSSR count
199: ok 8017 # ring membership passed
199: ok 8018 # correct SSSR count
199: ok 8019 # ring membership passed
199: ok 8020 # correct ring bond data
199: ok 8021 # correct ring bond data
199: ok 8022 # correct ring bond data
199: ok 8023 # correct ring bond data
199: ok 8024 # correct ring bond data
199: ok 8025 # correct ring bond data
199: ok 8026 # correct ring bond data
199: ok 8027 # correct ring bond data
199: ok 8028 # correct ring bond data
199: ok 8029 # correct ring bond data
199: ok 8030 # correct ring bond data
199: ok 8031 # correct ring bond data
199: ok 8032 # correct ring bond data
199: ok 8033 # correct ring bond data
199: ok 8034 # correct ring bond data
199: ok 8035 # correct ring bond data
199: ok 8036 # correct ring bond data
199: ok 8037 # correct ring bond data
199: ok 8038 # correct ring bond data
199: ok 8039 # correct ring bond data
199: ok 8040 # correct ring bond data
199: ok 8041 # correct ring bond data
199: ok 8042 # correct ring bond data
199: ok 8043 # correct ring bond data
199: ok 8044 # correct ring bond data
199: ok 8045 # SSSR size matches reference
199: ok 8046 # correct SSSR count
199: ok 8047 # ring membership passed
199: ok 8048 # correct SSSR count
199: ok 8049 # ring membership passed
199: ok 8050 # correct SSSR count
199: ok 8051 # ring membership passed
199: ok 8052 # correct SSSR count
199: ok 8053 # ring membership passed
199: ok 8054 # correct SSSR count
199: ok 8055 # ring membership passed
199: ok 8056 # correct SSSR count
199: ok 8057 # ring membership passed
199: ok 8058 # correct SSSR count
199: ok 8059 # ring membership passed
199: ok 8060 # correct SSSR count
199: ok 8061 # ring membership passed
199: ok 8062 # correct SSSR count
199: ok 8063 # ring membership passed
199: ok 8064 # correct SSSR count
199: ok 8065 # ring membership passed
199: ok 8066 # correct SSSR count
199: ok 8067 # ring membership passed
199: ok 8068 # correct SSSR count
199: ok 8069 # ring membership passed
199: ok 8070 # correct SSSR count
199: ok 8071 # ring membership passed
199: ok 8072 # correct SSSR count
199: ok 8073 # ring membership passed
199: ok 8074 # correct SSSR count
199: ok 8075 # ring membership passed
199: ok 8076 # correct SSSR count
199: ok 8077 # ring membership passed
199: ok 8078 # correct SSSR count
199: ok 8079 # ring membership passed
199: ok 8080 # correct SSSR count
199: ok 8081 # ring membership passed
199: ok 8082 # correct SSSR count
199: ok 8083 # ring membership passed
199: ok 8084 # correct SSSR count
199: ok 8085 # ring membership passed
199: ok 8086 # correct SSSR count
199: ok 8087 # ring membership passed
199: ok 8088 # correct SSSR count
199: ok 8089 # ring membership passed
199: ok 8090 # correct SSSR count
199: ok 8091 # ring membership passed
199: ok 8092 # correct SSSR count
199: ok 8093 # ring membership passed
199: ok 8094 # correct ring bond data
199: ok 8095 # correct ring bond data
199: ok 8096 # correct ring bond data
199: ok 8097 # correct ring bond data
199: ok 8098 # correct ring bond data
199: ok 8099 # correct ring bond data
199: ok 8100 # correct ring bond data
199: ok 8101 # correct ring bond data
199: ok 8102 # correct ring bond data
199: ok 8103 # correct ring bond data
199: ok 8104 # correct ring bond data
199: ok 8105 # correct ring bond data
199: ok 8106 # correct ring bond data
199: ok 8107 # correct ring bond data
199: ok 8108 # correct ring bond data
199: ok 8109 # correct ring bond data
199: ok 8110 # correct ring bond data
199: ok 8111 # correct ring bond data
199: ok 8112 # correct ring bond data
199: ok 8113 # correct ring bond data
199: ok 8114 # correct ring bond data
199: ok 8115 # correct ring bond data
199: ok 8116 # correct ring bond data
199: ok 8117 # correct ring bond data
199: ok 8118 # correct ring bond data
199: ok 8119 # correct ring bond data
199: ok 8120 # SSSR size matches reference
199: ok 8121 # correct SSSR count
199: ok 8122 # ring membership passed
199: ok 8123 # correct SSSR count
199: ok 8124 # ring membership passed
199: ok 8125 # correct SSSR count
199: ok 8126 # ring membership passed
199: ok 8127 # correct SSSR count
199: ok 8128 # ring membership passed
199: ok 8129 # correct SSSR count
199: ok 8130 # ring membership passed
199: ok 8131 # correct SSSR count
199: ok 8132 # ring membership passed
199: ok 8133 # correct SSSR count
199: ok 8134 # ring membership passed
199: ok 8135 # correct SSSR count
199: ok 8136 # ring membership passed
199: ok 8137 # correct SSSR count
199: ok 8138 # ring membership passed
199: ok 8139 # correct SSSR count
199: ok 8140 # ring membership passed
199: ok 8141 # correct SSSR count
199: ok 8142 # ring membership passed
199: ok 8143 # correct SSSR count
199: ok 8144 # ring membership passed
199: ok 8145 # correct SSSR count
199: ok 8146 # ring membership passed
199: ok 8147 # correct SSSR count
199: ok 8148 # ring membership passed
199: ok 8149 # correct SSSR count
199: ok 8150 # ring membership passed
199: ok 8151 # correct SSSR count
199: ok 8152 # ring membership passed
199: ok 8153 # correct SSSR count
199: ok 8154 # ring membership passed
199: ok 8155 # correct SSSR count
199: ok 8156 # ring membership passed
199: ok 8157 # correct SSSR count
199: ok 8158 # ring membership passed
199: ok 8159 # correct SSSR count
199: ok 8160 # ring membership passed
199: ok 8161 # correct SSSR count
199: ok 8162 # ring membership passed
199: ok 8163 # correct SSSR count
199: ok 8164 # ring membership passed
199: ok 8165 # correct SSSR count
199: ok 8166 # ring membership passed
199: ok 8167 # correct SSSR count
199: ok 8168 # ring membership passed
199: ok 8169 # correct SSSR count
199: ok 8170 # ring membership passed
199: ok 8171 # correct ring bond data
199: ok 8172 # correct ring bond data
199: ok 8173 # correct ring bond data
199: ok 8174 # correct ring bond data
199: ok 8175 # correct ring bond data
199: ok 8176 # correct ring bond data
199: ok 8177 # correct ring bond data
199: ok 8178 # correct ring bond data
199: ok 8179 # correct ring bond data
199: ok 8180 # correct ring bond data
199: ok 8181 # correct ring bond data
199: ok 8182 # correct ring bond data
199: ok 8183 # correct ring bond data
199: ok 8184 # correct ring bond data
199: ok 8185 # correct ring bond data
199: ok 8186 # correct ring bond data
199: ok 8187 # correct ring bond data
199: ok 8188 # correct ring bond data
199: ok 8189 # correct ring bond data
199: ok 8190 # correct ring bond data
199: ok 8191 # correct ring bond data
199: ok 8192 # correct ring bond data
199: ok 8193 # correct ring bond data
199: ok 8194 # correct ring bond data
199: ok 8195 # SSSR size matches reference
199: ok 8196 # correct SSSR count
199: ok 8197 # ring membership passed
199: ok 8198 # correct SSSR count
199: ok 8199 # ring membership passed
199: ok 8200 # correct SSSR count
199: ok 8201 # ring membership passed
199: ok 8202 # correct SSSR count
199: ok 8203 # ring membership passed
199: ok 8204 # correct SSSR count
199: ok 8205 # ring membership passed
199: ok 8206 # correct SSSR count
199: ok 8207 # ring membership passed
199: ok 8208 # correct SSSR count
199: ok 8209 # ring membership passed
199: ok 8210 # correct SSSR count
199: ok 8211 # ring membership passed
199: ok 8212 # correct SSSR count
199: ok 8213 # ring membership passed
199: ok 8214 # correct SSSR count
199: ok 8215 # ring membership passed
199: ok 8216 # correct SSSR count
199: ok 8217 # ring membership passed
199: ok 8218 # correct SSSR count
199: ok 8219 # ring membership passed
199: ok 8220 # correct SSSR count
199: ok 8221 # ring membership passed
199: ok 8222 # correct SSSR count
199: ok 8223 # ring membership passed
199: ok 8224 # correct SSSR count
199: ok 8225 # ring membership passed
199: ok 8226 # correct SSSR count
199: ok 8227 # ring membership passed
199: ok 8228 # correct SSSR count
199: ok 8229 # ring membership passed
199: ok 8230 # correct SSSR count
199: ok 8231 # ring membership passed
199: ok 8232 # correct SSSR count
199: ok 8233 # ring membership passed
199: ok 8234 # correct SSSR count
199: ok 8235 # ring membership passed
199: ok 8236 # correct SSSR count
199: ok 8237 # ring membership passed
199: ok 8238 # correct SSSR count
199: ok 8239 # ring membership passed
199: ok 8240 # correct SSSR count
199: ok 8241 # ring membership passed
199: ok 8242 # correct ring bond data
199: ok 8243 # correct ring bond data
199: ok 8244 # correct ring bond data
199: ok 8245 # correct ring bond data
199: ok 8246 # correct ring bond data
199: ok 8247 # correct ring bond data
199: ok 8248 # correct ring bond data
199: ok 8249 # correct ring bond data
199: ok 8250 # correct ring bond data
199: ok 8251 # correct ring bond data
199: ok 8252 # correct ring bond data
199: ok 8253 # correct ring bond data
199: ok 8254 # correct ring bond data
199: ok 8255 # correct ring bond data
199: ok 8256 # correct ring bond data
199: ok 8257 # correct ring bond data
199: ok 8258 # correct ring bond data
199: ok 8259 # correct ring bond data
199: ok 8260 # correct ring bond data
199: ok 8261 # SSSR size matches reference
199: ok 8262 # correct SSSR count
199: ok 8263 # ring membership passed
199: ok 8264 # correct SSSR count
199: ok 8265 # ring membership passed
199: ok 8266 # correct SSSR count
199: ok 8267 # ring membership passed
199: ok 8268 # correct SSSR count
199: ok 8269 # ring membership passed
199: ok 8270 # correct SSSR count
199: ok 8271 # ring membership passed
199: ok 8272 # correct SSSR count
199: ok 8273 # ring membership passed
199: ok 8274 # correct SSSR count
199: ok 8275 # ring membership passed
199: ok 8276 # correct SSSR count
199: ok 8277 # ring membership passed
199: ok 8278 # correct SSSR count
199: ok 8279 # ring membership passed
199: ok 8280 # correct SSSR count
199: ok 8281 # ring membership passed
199: ok 8282 # correct SSSR count
199: ok 8283 # ring membership passed
199: ok 8284 # correct SSSR count
199: ok 8285 # ring membership passed
199: ok 8286 # correct SSSR count
199: ok 8287 # ring membership passed
199: ok 8288 # correct SSSR count
199: ok 8289 # ring membership passed
199: ok 8290 # correct SSSR count
199: ok 8291 # ring membership passed
199: ok 8292 # correct SSSR count
199: ok 8293 # ring membership passed
199: ok 8294 # correct SSSR count
199: ok 8295 # ring membership passed
199: ok 8296 # correct SSSR count
199: ok 8297 # ring membership passed
199: ok 8298 # correct ring bond data
199: ok 8299 # correct ring bond data
199: ok 8300 # correct ring bond data
199: ok 8301 # correct ring bond data
199: ok 8302 # correct ring bond data
199: ok 8303 # correct ring bond data
199: ok 8304 # correct ring bond data
199: ok 8305 # correct ring bond data
199: ok 8306 # correct ring bond data
199: ok 8307 # correct ring bond data
199: ok 8308 # correct ring bond data
199: ok 8309 # correct ring bond data
199: ok 8310 # correct ring bond data
199: ok 8311 # correct ring bond data
199: ok 8312 # correct ring bond data
199: ok 8313 # correct ring bond data
199: ok 8314 # correct ring bond data
199: ok 8315 # correct ring bond data
199: ok 8316 # correct ring bond data
199: ok 8317 # SSSR size matches reference
199: ok 8318 # correct SSSR count
199: ok 8319 # ring membership passed
199: ok 8320 # correct SSSR count
199: ok 8321 # ring membership passed
199: ok 8322 # correct SSSR count
199: ok 8323 # ring membership passed
199: ok 8324 # correct SSSR count
199: ok 8325 # ring membership passed
199: ok 8326 # correct SSSR count
199: ok 8327 # ring membership passed
199: ok 8328 # correct SSSR count
199: ok 8329 # ring membership passed
199: ok 8330 # correct SSSR count
199: ok 8331 # ring membership passed
199: ok 8332 # correct SSSR count
199: ok 8333 # ring membership passed
199: ok 8334 # correct SSSR count
199: ok 8335 # ring membership passed
199: ok 8336 # correct SSSR count
199: ok 8337 # ring membership passed
199: ok 8338 # correct SSSR count
199: ok 8339 # ring membership passed
199: ok 8340 # correct SSSR count
199: ok 8341 # ring membership passed
199: ok 8342 # correct SSSR count
199: ok 8343 # ring membership passed
199: ok 8344 # correct SSSR count
199: ok 8345 # ring membership passed
199: ok 8346 # correct SSSR count
199: ok 8347 # ring membership passed
199: ok 8348 # correct SSSR count
199: ok 8349 # ring membership passed
199: ok 8350 # correct SSSR count
199: ok 8351 # ring membership passed
199: ok 8352 # correct SSSR count
199: ok 8353 # ring membership passed
199: ok 8354 # correct ring bond data
199: ok 8355 # correct ring bond data
199: ok 8356 # correct ring bond data
199: ok 8357 # correct ring bond data
199: ok 8358 # correct ring bond data
199: ok 8359 # correct ring bond data
199: ok 8360 # correct ring bond data
199: ok 8361 # correct ring bond data
199: ok 8362 # correct ring bond data
199: ok 8363 # correct ring bond data
199: ok 8364 # correct ring bond data
199: ok 8365 # correct ring bond data
199: ok 8366 # correct ring bond data
199: ok 8367 # correct ring bond data
199: ok 8368 # correct ring bond data
199: ok 8369 # correct ring bond data
199: ok 8370 # correct ring bond data
199: ok 8371 # correct ring bond data
199: ok 8372 # correct ring bond data
199: ok 8373 # correct ring bond data
199: ok 8374 # correct ring bond data
199: ok 8375 # SSSR size matches reference
199: ok 8376 # correct SSSR count
199: ok 8377 # ring membership passed
199: ok 8378 # correct SSSR count
199: ok 8379 # ring membership passed
199: ok 8380 # correct SSSR count
199: ok 8381 # ring membership passed
199: ok 8382 # correct SSSR count
199: ok 8383 # ring membership passed
199: ok 8384 # correct SSSR count
199: ok 8385 # ring membership passed
199: ok 8386 # correct SSSR count
199: ok 8387 # ring membership passed
199: ok 8388 # correct SSSR count
199: ok 8389 # ring membership passed
199: ok 8390 # correct SSSR count
199: ok 8391 # ring membership passed
199: ok 8392 # correct SSSR count
199: ok 8393 # ring membership passed
199: ok 8394 # correct SSSR count
199: ok 8395 # ring membership passed
199: ok 8396 # correct SSSR count
199: ok 8397 # ring membership passed
199: ok 8398 # correct SSSR count
199: ok 8399 # ring membership passed
199: ok 8400 # correct SSSR count
199: ok 8401 # ring membership passed
199: ok 8402 # correct SSSR count
199: ok 8403 # ring membership passed
199: ok 8404 # correct SSSR count
199: ok 8405 # ring membership passed
199: ok 8406 # correct SSSR count
199: ok 8407 # ring membership passed
199: ok 8408 # correct SSSR count
199: ok 8409 # ring membership passed
199: ok 8410 # correct SSSR count
199: ok 8411 # ring membership passed
199: ok 8412 # correct SSSR count
199: ok 8413 # ring membership passed
199: ok 8414 # correct SSSR count
199: ok 8415 # ring membership passed
199: ok 8416 # correct ring bond data
199: ok 8417 # correct ring bond data
199: ok 8418 # correct ring bond data
199: ok 8419 # correct ring bond data
199: ok 8420 # correct ring bond data
199: ok 8421 # correct ring bond data
199: ok 8422 # correct ring bond data
199: ok 8423 # correct ring bond data
199: ok 8424 # correct ring bond data
199: ok 8425 # correct ring bond data
199: ok 8426 # correct ring bond data
199: ok 8427 # correct ring bond data
199: ok 8428 # correct ring bond data
199: ok 8429 # SSSR size matches reference
199: ok 8430 # correct SSSR count
199: ok 8431 # ring membership passed
199: ok 8432 # correct SSSR count
199: ok 8433 # ring membership passed
199: ok 8434 # correct SSSR count
199: ok 8435 # ring membership passed
199: ok 8436 # correct SSSR count
199: ok 8437 # ring membership passed
199: ok 8438 # correct SSSR count
199: ok 8439 # ring membership passed
199: ok 8440 # correct SSSR count
199: ok 8441 # ring membership passed
199: ok 8442 # correct SSSR count
199: ok 8443 # ring membership passed
199: ok 8444 # correct SSSR count
199: ok 8445 # ring membership passed
199: ok 8446 # correct SSSR count
199: ok 8447 # ring membership passed
199: ok 8448 # correct SSSR count
199: ok 8449 # ring membership passed
199: ok 8450 # correct SSSR count
199: ok 8451 # ring membership passed
199: ok 8452 # correct SSSR count
199: ok 8453 # ring membership passed
199: ok 8454 # correct SSSR count
199: ok 8455 # ring membership passed
199: ok 8456 # correct ring bond data
199: ok 8457 # correct ring bond data
199: ok 8458 # correct ring bond data
199: ok 8459 # correct ring bond data
199: ok 8460 # correct ring bond data
199: ok 8461 # correct ring bond data
199: ok 8462 # correct ring bond data
199: ok 8463 # correct ring bond data
199: ok 8464 # correct ring bond data
199: ok 8465 # correct ring bond data
199: ok 8466 # correct ring bond data
199: ok 8467 # correct ring bond data
199: ok 8468 # correct ring bond data
199: ok 8469 # correct ring bond data
199: ok 8470 # correct ring bond data
199: ok 8471 # correct ring bond data
199: ok 8472 # correct ring bond data
199: ok 8473 # correct ring bond data
199: ok 8474 # correct ring bond data
199: ok 8475 # SSSR size matches reference
199: ok 8476 # correct SSSR count
199: ok 8477 # ring membership passed
199: ok 8478 # correct SSSR count
199: ok 8479 # ring membership passed
199: ok 8480 # correct SSSR count
199: ok 8481 # ring membership passed
199: ok 8482 # correct SSSR count
199: ok 8483 # ring membership passed
199: ok 8484 # correct SSSR count
199: ok 8485 # ring membership passed
199: ok 8486 # correct SSSR count
199: ok 8487 # ring membership passed
199: ok 8488 # correct SSSR count
199: ok 8489 # ring membership passed
199: ok 8490 # correct SSSR count
199: ok 8491 # ring membership passed
199: ok 8492 # correct SSSR count
199: ok 8493 # ring membership passed
199: ok 8494 # correct SSSR count
199: ok 8495 # ring membership passed
199: ok 8496 # correct SSSR count
199: ok 8497 # ring membership passed
199: ok 8498 # correct SSSR count
199: ok 8499 # ring membership passed
199: ok 8500 # correct SSSR count
199: ok 8501 # ring membership passed
199: ok 8502 # correct SSSR count
199: ok 8503 # ring membership passed
199: ok 8504 # correct SSSR count
199: ok 8505 # ring membership passed
199: ok 8506 # correct SSSR count
199: ok 8507 # ring membership passed
199: ok 8508 # correct SSSR count
199: ok 8509 # ring membership passed
199: ok 8510 # correct SSSR count
199: ok 8511 # ring membership passed
199: ok 8512 # correct ring bond data
199: ok 8513 # correct ring bond data
199: ok 8514 # correct ring bond data
199: ok 8515 # correct ring bond data
199: ok 8516 # correct ring bond data
199: ok 8517 # correct ring bond data
199: ok 8518 # correct ring bond data
199: ok 8519 # correct ring bond data
199: ok 8520 # correct ring bond data
199: ok 8521 # correct ring bond data
199: ok 8522 # correct ring bond data
199: ok 8523 # correct ring bond data
199: ok 8524 # correct ring bond data
199: ok 8525 # correct ring bond data
199: ok 8526 # correct ring bond data
199: ok 8527 # correct ring bond data
199: ok 8528 # SSSR size matches reference
199: ok 8529 # correct SSSR count
199: ok 8530 # ring membership passed
199: ok 8531 # correct SSSR count
199: ok 8532 # ring membership passed
199: ok 8533 # correct SSSR count
199: ok 8534 # ring membership passed
199: ok 8535 # correct SSSR count
199: ok 8536 # ring membership passed
199: ok 8537 # correct SSSR count
199: ok 8538 # ring membership passed
199: ok 8539 # correct SSSR count
199: ok 8540 # ring membership passed
199: ok 8541 # correct SSSR count
199: ok 8542 # ring membership passed
199: ok 8543 # correct SSSR count
199: ok 8544 # ring membership passed
199: ok 8545 # correct SSSR count
199: ok 8546 # ring membership passed
199: ok 8547 # correct SSSR count
199: ok 8548 # ring membership passed
199: ok 8549 # correct SSSR count
199: ok 8550 # ring membership passed
199: ok 8551 # correct SSSR count
199: ok 8552 # ring membership passed
199: ok 8553 # correct SSSR count
199: ok 8554 # ring membership passed
199: ok 8555 # correct SSSR count
199: ok 8556 # ring membership passed
199: ok 8557 # correct SSSR count
199: ok 8558 # ring membership passed
199: ok 8559 # correct ring bond data
199: ok 8560 # correct ring bond data
199: ok 8561 # correct ring bond data
199: ok 8562 # correct ring bond data
199: ok 8563 # correct ring bond data
199: ok 8564 # correct ring bond data
199: ok 8565 # correct ring bond data
199: ok 8566 # correct ring bond data
199: ok 8567 # correct ring bond data
199: ok 8568 # correct ring bond data
199: ok 8569 # correct ring bond data
199: ok 8570 # correct ring bond data
199: ok 8571 # correct ring bond data
199: ok 8572 # correct ring bond data
199: ok 8573 # correct ring bond data
199: ok 8574 # correct ring bond data
199: ok 8575 # correct ring bond data
199: ok 8576 # correct ring bond data
199: ok 8577 # correct ring bond data
199: ok 8578 # SSSR size matches reference
199: ok 8579 # correct SSSR count
199: ok 8580 # ring membership passed
199: ok 8581 # correct SSSR count
199: ok 8582 # ring membership passed
199: ok 8583 # correct SSSR count
199: ok 8584 # ring membership passed
199: ok 8585 # correct SSSR count
199: ok 8586 # ring membership passed
199: ok 8587 # correct SSSR count
199: ok 8588 # ring membership passed
199: ok 8589 # correct SSSR count
199: ok 8590 # ring membership passed
199: ok 8591 # correct SSSR count
199: ok 8592 # ring membership passed
199: ok 8593 # correct SSSR count
199: ok 8594 # ring membership passed
199: ok 8595 # correct SSSR count
199: ok 8596 # ring membership passed
199: ok 8597 # correct SSSR count
199: ok 8598 # ring membership passed
199: ok 8599 # correct SSSR count
199: ok 8600 # ring membership passed
199: ok 8601 # correct SSSR count
199: ok 8602 # ring membership passed
199: ok 8603 # correct SSSR count
199: ok 8604 # ring membership passed
199: ok 8605 # correct SSSR count
199: ok 8606 # ring membership passed
199: ok 8607 # correct SSSR count
199: ok 8608 # ring membership passed
199: ok 8609 # correct SSSR count
199: ok 8610 # ring membership passed
199: ok 8611 # correct SSSR count
199: ok 8612 # ring membership passed
199: ok 8613 # correct SSSR count
199: ok 8614 # ring membership passed
199: ok 8615 # correct ring bond data
199: ok 8616 # correct ring bond data
199: ok 8617 # correct ring bond data
199: ok 8618 # correct ring bond data
199: ok 8619 # correct ring bond data
199: ok 8620 # correct ring bond data
199: ok 8621 # correct ring bond data
199: ok 8622 # correct ring bond data
199: ok 8623 # correct ring bond data
199: ok 8624 # correct ring bond data
199: ok 8625 # correct ring bond data
199: ok 8626 # correct ring bond data
199: ok 8627 # correct ring bond data
199: ok 8628 # correct ring bond data
199: ok 8629 # correct ring bond data
199: ok 8630 # correct ring bond data
199: ok 8631 # correct ring bond data
199: ok 8632 # correct ring bond data
199: ok 8633 # correct ring bond data
199: ok 8634 # correct ring bond data
199: ok 8635 # correct ring bond data
199: ok 8636 # correct ring bond data
199: ok 8637 # correct ring bond data
199: ok 8638 # correct ring bond data
199: ok 8639 # correct ring bond data
199: ok 8640 # correct ring bond data
199: ok 8641 # SSSR size matches reference
199: ok 8642 # correct SSSR count
199: ok 8643 # ring membership passed
199: ok 8644 # correct SSSR count
199: ok 8645 # ring membership passed
199: ok 8646 # correct SSSR count
199: ok 8647 # ring membership passed
199: ok 8648 # correct SSSR count
199: ok 8649 # ring membership passed
199: ok 8650 # correct SSSR count
199: ok 8651 # ring membership passed
199: ok 8652 # correct SSSR count
199: ok 8653 # ring membership passed
199: ok 8654 # correct SSSR count
199: ok 8655 # ring membership passed
199: ok 8656 # correct SSSR count
199: ok 8657 # ring membership passed
199: ok 8658 # correct SSSR count
199: ok 8659 # ring membership passed
199: ok 8660 # correct SSSR count
199: ok 8661 # ring membership passed
199: ok 8662 # correct SSSR count
199: ok 8663 # ring membership passed
199: ok 8664 # correct SSSR count
199: ok 8665 # ring membership passed
199: ok 8666 # correct SSSR count
199: ok 8667 # ring membership passed
199: ok 8668 # correct SSSR count
199: ok 8669 # ring membership passed
199: ok 8670 # correct SSSR count
199: ok 8671 # ring membership passed
199: ok 8672 # correct SSSR count
199: ok 8673 # ring membership passed
199: ok 8674 # correct SSSR count
199: ok 8675 # ring membership passed
199: ok 8676 # correct SSSR count
199: ok 8677 # ring membership passed
199: ok 8678 # correct SSSR count
199: ok 8679 # ring membership passed
199: ok 8680 # correct SSSR count
199: ok 8681 # ring membership passed
199: ok 8682 # correct SSSR count
199: ok 8683 # ring membership passed
199: ok 8684 # correct SSSR count
199: ok 8685 # ring membership passed
199: ok 8686 # correct SSSR count
199: ok 8687 # ring membership passed
199: ok 8688 # correct SSSR count
199: ok 8689 # ring membership passed
199: ok 8690 # correct ring bond data
199: ok 8691 # correct ring bond data
199: ok 8692 # correct ring bond data
199: ok 8693 # correct ring bond data
199: ok 8694 # correct ring bond data
199: ok 8695 # correct ring bond data
199: ok 8696 # correct ring bond data
199: ok 8697 # correct ring bond data
199: ok 8698 # correct ring bond data
199: ok 8699 # correct ring bond data
199: ok 8700 # correct ring bond data
199: ok 8701 # correct ring bond data
199: ok 8702 # correct ring bond data
199: ok 8703 # correct ring bond data
199: ok 8704 # correct ring bond data
199: ok 8705 # correct ring bond data
199: ok 8706 # correct ring bond data
199: ok 8707 # correct ring bond data
199: ok 8708 # correct ring bond data
199: ok 8709 # correct ring bond data
199: ok 8710 # correct ring bond data
199: ok 8711 # correct ring bond data
199: ok 8712 # correct ring bond data
199: ok 8713 # correct ring bond data
199: ok 8714 # correct ring bond data
199: ok 8715 # correct ring bond data
199: ok 8716 # correct ring bond data
199: ok 8717 # correct ring bond data
199: ok 8718 # correct ring bond data
199: ok 8719 # correct ring bond data
199: ok 8720 # correct ring bond data
199: ok 8721 # correct ring bond data
199: ok 8722 # correct ring bond data
199: ok 8723 # correct ring bond data
199: ok 8724 # SSSR size matches reference
199: ok 8725 # correct SSSR count
199: ok 8726 # ring membership passed
199: ok 8727 # correct SSSR count
199: ok 8728 # ring membership passed
199: ok 8729 # correct SSSR count
199: ok 8730 # ring membership passed
199: ok 8731 # correct SSSR count
199: ok 8732 # ring membership passed
199: ok 8733 # correct SSSR count
199: ok 8734 # ring membership passed
199: ok 8735 # correct SSSR count
199: ok 8736 # ring membership passed
199: ok 8737 # correct SSSR count
199: ok 8738 # ring membership passed
199: ok 8739 # correct SSSR count
199: ok 8740 # ring membership passed
199: ok 8741 # correct SSSR count
199: ok 8742 # ring membership passed
199: ok 8743 # correct SSSR count
199: ok 8744 # ring membership passed
199: ok 8745 # correct SSSR count
199: ok 8746 # ring membership passed
199: ok 8747 # correct SSSR count
199: ok 8748 # ring membership passed
199: ok 8749 # correct SSSR count
199: ok 8750 # ring membership passed
199: ok 8751 # correct SSSR count
199: ok 8752 # ring membership passed
199: ok 8753 # correct SSSR count
199: ok 8754 # ring membership passed
199: ok 8755 # correct SSSR count
199: ok 8756 # ring membership passed
199: ok 8757 # correct SSSR count
199: ok 8758 # ring membership passed
199: ok 8759 # correct SSSR count
199: ok 8760 # ring membership passed
199: ok 8761 # correct SSSR count
199: ok 8762 # ring membership passed
199: ok 8763 # correct SSSR count
199: ok 8764 # ring membership passed
199: ok 8765 # correct SSSR count
199: ok 8766 # ring membership passed
199: ok 8767 # correct SSSR count
199: ok 8768 # ring membership passed
199: ok 8769 # correct SSSR count
199: ok 8770 # ring membership passed
199: ok 8771 # correct SSSR count
199: ok 8772 # ring membership passed
199: ok 8773 # correct SSSR count
199: ok 8774 # ring membership passed
199: ok 8775 # correct SSSR count
199: ok 8776 # ring membership passed
199: ok 8777 # correct SSSR count
199: ok 8778 # ring membership passed
199: ok 8779 # correct SSSR count
199: ok 8780 # ring membership passed
199: ok 8781 # correct SSSR count
199: ok 8782 # ring membership passed
199: ok 8783 # correct SSSR count
199: ok 8784 # ring membership passed
199: ok 8785 # correct SSSR count
199: ok 8786 # ring membership passed
199: ok 8787 # correct SSSR count
199: ok 8788 # ring membership passed
199: ok 8789 # correct ring bond data
199: ok 8790 # correct ring bond data
199: ok 8791 # correct ring bond data
199: ok 8792 # correct ring bond data
199: ok 8793 # correct ring bond data
199: ok 8794 # correct ring bond data
199: ok 8795 # correct ring bond data
199: ok 8796 # correct ring bond data
199: ok 8797 # correct ring bond data
199: ok 8798 # correct ring bond data
199: ok 8799 # correct ring bond data
199: ok 8800 # correct ring bond data
199: ok 8801 # correct ring bond data
199: ok 8802 # correct ring bond data
199: ok 8803 # correct ring bond data
199: ok 8804 # correct ring bond data
199: ok 8805 # correct ring bond data
199: ok 8806 # correct ring bond data
199: ok 8807 # correct ring bond data
199: ok 8808 # correct ring bond data
199: ok 8809 # correct ring bond data
199: ok 8810 # correct ring bond data
199: ok 8811 # correct ring bond data
199: ok 8812 # correct ring bond data
199: ok 8813 # correct ring bond data
199: ok 8814 # correct ring bond data
199: ok 8815 # correct ring bond data
199: ok 8816 # correct ring bond data
199: ok 8817 # correct ring bond data
199: ok 8818 # correct ring bond data
199: ok 8819 # correct ring bond data
199: ok 8820 # SSSR size matches reference
199: ok 8821 # correct SSSR count
199: ok 8822 # ring membership passed
199: ok 8823 # correct SSSR count
199: ok 8824 # ring membership passed
199: ok 8825 # correct SSSR count
199: ok 8826 # ring membership passed
199: ok 8827 # correct SSSR count
199: ok 8828 # ring membership passed
199: ok 8829 # correct SSSR count
199: ok 8830 # ring membership passed
199: ok 8831 # correct SSSR count
199: ok 8832 # ring membership passed
199: ok 8833 # correct SSSR count
199: ok 8834 # ring membership passed
199: ok 8835 # correct SSSR count
199: ok 8836 # ring membership passed
199: ok 8837 # correct SSSR count
199: ok 8838 # ring membership passed
199: ok 8839 # correct SSSR count
199: ok 8840 # ring membership passed
199: ok 8841 # correct SSSR count
199: ok 8842 # ring membership passed
199: ok 8843 # correct SSSR count
199: ok 8844 # ring membership passed
199: ok 8845 # correct SSSR count
199: ok 8846 # ring membership passed
199: ok 8847 # correct SSSR count
199: ok 8848 # ring membership passed
199: ok 8849 # correct SSSR count
199: ok 8850 # ring membership passed
199: ok 8851 # correct SSSR count
199: ok 8852 # ring membership passed
199: ok 8853 # correct SSSR count
199: ok 8854 # ring membership passed
199: ok 8855 # correct SSSR count
199: ok 8856 # ring membership passed
199: ok 8857 # correct SSSR count
199: ok 8858 # ring membership passed
199: ok 8859 # correct SSSR count
199: ok 8860 # ring membership passed
199: ok 8861 # correct SSSR count
199: ok 8862 # ring membership passed
199: ok 8863 # correct SSSR count
199: ok 8864 # ring membership passed
199: ok 8865 # correct SSSR count
199: ok 8866 # ring membership passed
199: ok 8867 # correct SSSR count
199: ok 8868 # ring membership passed
199: ok 8869 # correct SSSR count
199: ok 8870 # ring membership passed
199: ok 8871 # correct SSSR count
199: ok 8872 # ring membership passed
199: ok 8873 # correct SSSR count
199: ok 8874 # ring membership passed
199: ok 8875 # correct SSSR count
199: ok 8876 # ring membership passed
199: ok 8877 # correct SSSR count
199: ok 8878 # ring membership passed
199: ok 8879 # correct ring bond data
199: ok 8880 # correct ring bond data
199: ok 8881 # correct ring bond data
199: ok 8882 # correct ring bond data
199: ok 8883 # correct ring bond data
199: ok 8884 # correct ring bond data
199: ok 8885 # correct ring bond data
199: ok 8886 # correct ring bond data
199: ok 8887 # correct ring bond data
199: ok 8888 # SSSR size matches reference
199: ok 8889 # correct SSSR count
199: ok 8890 # ring membership passed
199: ok 8891 # correct SSSR count
199: ok 8892 # ring membership passed
199: ok 8893 # correct SSSR count
199: ok 8894 # ring membership passed
199: ok 8895 # correct SSSR count
199: ok 8896 # ring membership passed
199: ok 8897 # correct SSSR count
199: ok 8898 # ring membership passed
199: ok 8899 # correct SSSR count
199: ok 8900 # ring membership passed
199: ok 8901 # correct SSSR count
199: ok 8902 # ring membership passed
199: ok 8903 # correct SSSR count
199: ok 8904 # ring membership passed
199: ok 8905 # correct SSSR count
199: ok 8906 # ring membership passed
199: ok 8907 # correct ring bond data
199: ok 8908 # correct ring bond data
199: ok 8909 # correct ring bond data
199: ok 8910 # correct ring bond data
199: ok 8911 # correct ring bond data
199: ok 8912 # correct ring bond data
199: ok 8913 # correct ring bond data
199: ok 8914 # correct ring bond data
199: ok 8915 # correct ring bond data
199: ok 8916 # correct ring bond data
199: ok 8917 # correct ring bond data
199: ok 8918 # correct ring bond data
199: ok 8919 # correct ring bond data
199: ok 8920 # correct ring bond data
199: ok 8921 # correct ring bond data
199: ok 8922 # correct ring bond data
199: ok 8923 # correct ring bond data
199: ok 8924 # correct ring bond data
199: ok 8925 # SSSR size matches reference
199: ok 8926 # correct SSSR count
199: ok 8927 # ring membership passed
199: ok 8928 # correct SSSR count
199: ok 8929 # ring membership passed
199: ok 8930 # correct SSSR count
199: ok 8931 # ring membership passed
199: ok 8932 # correct SSSR count
199: ok 8933 # ring membership passed
199: ok 8934 # correct SSSR count
199: ok 8935 # ring membership passed
199: ok 8936 # correct SSSR count
199: ok 8937 # ring membership passed
199: ok 8938 # correct SSSR count
199: ok 8939 # ring membership passed
199: ok 8940 # correct SSSR count
199: ok 8941 # ring membership passed
199: ok 8942 # correct SSSR count
199: ok 8943 # ring membership passed
199: ok 8944 # correct SSSR count
199: ok 8945 # ring membership passed
199: ok 8946 # correct SSSR count
199: ok 8947 # ring membership passed
199: ok 8948 # correct SSSR count
199: ok 8949 # ring membership passed
199: ok 8950 # correct SSSR count
199: ok 8951 # ring membership passed
199: ok 8952 # correct SSSR count
199: ok 8953 # ring membership passed
199: ok 8954 # correct SSSR count
199: ok 8955 # ring membership passed
199: ok 8956 # correct SSSR count
199: ok 8957 # ring membership passed
199: ok 8958 # correct SSSR count
199: ok 8959 # ring membership passed
199: ok 8960 # correct ring bond data
199: ok 8961 # correct ring bond data
199: ok 8962 # correct ring bond data
199: ok 8963 # correct ring bond data
199: ok 8964 # correct ring bond data
199: ok 8965 # correct ring bond data
199: ok 8966 # correct ring bond data
199: ok 8967 # correct ring bond data
199: ok 8968 # correct ring bond data
199: ok 8969 # correct ring bond data
199: ok 8970 # correct ring bond data
199: ok 8971 # correct ring bond data
199: ok 8972 # correct ring bond data
199: ok 8973 # correct ring bond data
199: ok 8974 # SSSR size matches reference
199: ok 8975 # correct SSSR count
199: ok 8976 # ring membership passed
199: ok 8977 # correct SSSR count
199: ok 8978 # ring membership passed
199: ok 8979 # correct SSSR count
199: ok 8980 # ring membership passed
199: ok 8981 # correct SSSR count
199: ok 8982 # ring membership passed
199: ok 8983 # correct SSSR count
199: ok 8984 # ring membership passed
199: ok 8985 # correct SSSR count
199: ok 8986 # ring membership passed
199: ok 8987 # correct SSSR count
199: ok 8988 # ring membership passed
199: ok 8989 # correct SSSR count
199: ok 8990 # ring membership passed
199: ok 8991 # correct SSSR count
199: ok 8992 # ring membership passed
199: ok 8993 # correct SSSR count
199: ok 8994 # ring membership passed
199: ok 8995 # correct SSSR count
199: ok 8996 # ring membership passed
199: ok 8997 # correct SSSR count
199: ok 8998 # ring membership passed
199: ok 8999 # correct SSSR count
199: ok 9000 # ring membership passed
199: ok 9001 # correct ring bond data
199: ok 9002 # correct ring bond data
199: ok 9003 # correct ring bond data
199: ok 9004 # correct ring bond data
199: ok 9005 # correct ring bond data
199: ok 9006 # correct ring bond data
199: ok 9007 # correct ring bond data
199: ok 9008 # correct ring bond data
199: ok 9009 # correct ring bond data
199: ok 9010 # correct ring bond data
199: ok 9011 # correct ring bond data
199: ok 9012 # correct ring bond data
199: ok 9013 # correct ring bond data
199: ok 9014 # correct ring bond data
199: ok 9015 # SSSR size matches reference
199: ok 9016 # correct SSSR count
199: ok 9017 # ring membership passed
199: ok 9018 # correct SSSR count
199: ok 9019 # ring membership passed
199: ok 9020 # correct SSSR count
199: ok 9021 # ring membership passed
199: ok 9022 # correct SSSR count
199: ok 9023 # ring membership passed
199: ok 9024 # correct SSSR count
199: ok 9025 # ring membership passed
199: ok 9026 # correct SSSR count
199: ok 9027 # ring membership passed
199: ok 9028 # correct SSSR count
199: ok 9029 # ring membership passed
199: ok 9030 # correct SSSR count
199: ok 9031 # ring membership passed
199: ok 9032 # correct SSSR count
199: ok 9033 # ring membership passed
199: ok 9034 # correct SSSR count
199: ok 9035 # ring membership passed
199: ok 9036 # correct SSSR count
199: ok 9037 # ring membership passed
199: ok 9038 # correct SSSR count
199: ok 9039 # ring membership passed
199: ok 9040 # correct SSSR count
199: ok 9041 # ring membership passed
199: ok 9042 # correct SSSR count
199: ok 9043 # ring membership passed
199: ok 9044 # correct ring bond data
199: ok 9045 # correct ring bond data
199: ok 9046 # correct ring bond data
199: ok 9047 # correct ring bond data
199: ok 9048 # correct ring bond data
199: ok 9049 # correct ring bond data
199: ok 9050 # correct ring bond data
199: ok 9051 # correct ring bond data
199: ok 9052 # correct ring bond data
199: ok 9053 # correct ring bond data
199: ok 9054 # correct ring bond data
199: ok 9055 # SSSR size matches reference
199: ok 9056 # correct SSSR count
199: ok 9057 # ring membership passed
199: ok 9058 # correct SSSR count
199: ok 9059 # ring membership passed
199: ok 9060 # correct SSSR count
199: ok 9061 # ring membership passed
199: ok 9062 # correct SSSR count
199: ok 9063 # ring membership passed
199: ok 9064 # correct SSSR count
199: ok 9065 # ring membership passed
199: ok 9066 # correct SSSR count
199: ok 9067 # ring membership passed
199: ok 9068 # correct SSSR count
199: ok 9069 # ring membership passed
199: ok 9070 # correct SSSR count
199: ok 9071 # ring membership passed
199: ok 9072 # correct SSSR count
199: ok 9073 # ring membership passed
199: ok 9074 # correct SSSR count
199: ok 9075 # ring membership passed
199: ok 9076 # correct SSSR count
199: ok 9077 # ring membership passed
199: ok 9078 # correct SSSR count
199: ok 9079 # ring membership passed
199: ok 9080 # correct ring bond data
199: ok 9081 # correct ring bond data
199: ok 9082 # correct ring bond data
199: ok 9083 # correct ring bond data
199: ok 9084 # correct ring bond data
199: ok 9085 # correct ring bond data
199: ok 9086 # correct ring bond data
199: ok 9087 # correct ring bond data
199: ok 9088 # correct ring bond data
199: ok 9089 # correct ring bond data
199: ok 9090 # correct ring bond data
199: ok 9091 # correct ring bond data
199: ok 9092 # correct ring bond data
199: ok 9093 # correct ring bond data
199: ok 9094 # correct ring bond data
199: ok 9095 # correct ring bond data
199: ok 9096 # correct ring bond data
199: ok 9097 # correct ring bond data
199: ok 9098 # correct ring bond data
199: ok 9099 # correct ring bond data
199: ok 9100 # correct ring bond data
199: ok 9101 # correct ring bond data
199: ok 9102 # correct ring bond data
199: ok 9103 # correct ring bond data
199: ok 9104 # correct ring bond data
199: ok 9105 # correct ring bond data
199: ok 9106 # correct ring bond data
199: ok 9107 # correct ring bond data
199: ok 9108 # correct ring bond data
199: ok 9109 # SSSR size matches reference
199: ok 9110 # correct SSSR count
199: ok 9111 # ring membership passed
199: ok 9112 # correct SSSR count
199: ok 9113 # ring membership passed
199: ok 9114 # correct SSSR count
199: ok 9115 # ring membership passed
199: ok 9116 # correct SSSR count
199: ok 9117 # ring membership passed
199: ok 9118 # correct SSSR count
199: ok 9119 # ring membership passed
199: ok 9120 # correct SSSR count
199: ok 9121 # ring membership passed
199: ok 9122 # correct SSSR count
199: ok 9123 # ring membership passed
199: ok 9124 # correct SSSR count
199: ok 9125 # ring membership passed
199: ok 9126 # correct SSSR count
199: ok 9127 # ring membership passed
199: ok 9128 # correct SSSR count
199: ok 9129 # ring membership passed
199: ok 9130 # correct SSSR count
199: ok 9131 # ring membership passed
199: ok 9132 # correct SSSR count
199: ok 9133 # ring membership passed
199: ok 9134 # correct SSSR count
199: ok 9135 # ring membership passed
199: ok 9136 # correct SSSR count
199: ok 9137 # ring membership passed
199: ok 9138 # correct SSSR count
199: ok 9139 # ring membership passed
199: ok 9140 # correct SSSR count
199: ok 9141 # ring membership passed
199: ok 9142 # correct SSSR count
199: ok 9143 # ring membership passed
199: ok 9144 # correct SSSR count
199: ok 9145 # ring membership passed
199: ok 9146 # correct SSSR count
199: ok 9147 # ring membership passed
199: ok 9148 # correct SSSR count
199: ok 9149 # ring membership passed
199: ok 9150 # correct SSSR count
199: ok 9151 # ring membership passed
199: ok 9152 # correct SSSR count
199: ok 9153 # ring membership passed
199: ok 9154 # correct SSSR count
199: ok 9155 # ring membership passed
199: ok 9156 # correct SSSR count
199: ok 9157 # ring membership passed
199: ok 9158 # correct SSSR count
199: ok 9159 # ring membership passed
199: ok 9160 # correct SSSR count
199: ok 9161 # ring membership passed
199: ok 9162 # correct SSSR count
199: ok 9163 # ring membership passed
199: ok 9164 # correct SSSR count
199: ok 9165 # ring membership passed
199: ok 9166 # correct ring bond data
199: ok 9167 # correct ring bond data
199: ok 9168 # correct ring bond data
199: ok 9169 # correct ring bond data
199: ok 9170 # correct ring bond data
199: ok 9171 # correct ring bond data
199: ok 9172 # correct ring bond data
199: ok 9173 # correct ring bond data
199: ok 9174 # correct ring bond data
199: ok 9175 # correct ring bond data
199: ok 9176 # correct ring bond data
199: ok 9177 # correct ring bond data
199: ok 9178 # correct ring bond data
199: ok 9179 # correct ring bond data
199: ok 9180 # correct ring bond data
199: ok 9181 # correct ring bond data
199: ok 9182 # correct ring bond data
199: ok 9183 # correct ring bond data
199: ok 9184 # correct ring bond data
199: ok 9185 # correct ring bond data
199: ok 9186 # correct ring bond data
199: ok 9187 # correct ring bond data
199: ok 9188 # correct ring bond data
199: ok 9189 # correct ring bond data
199: ok 9190 # correct ring bond data
199: ok 9191 # correct ring bond data
199: ok 9192 # correct ring bond data
199: ok 9193 # correct ring bond data
199: ok 9194 # correct ring bond data
199: ok 9195 # correct ring bond data
199: ok 9196 # correct ring bond data
199: ok 9197 # SSSR size matches reference
199: ok 9198 # correct SSSR count
199: ok 9199 # ring membership passed
199: ok 9200 # correct SSSR count
199: ok 9201 # ring membership passed
199: ok 9202 # correct SSSR count
199: ok 9203 # ring membership passed
199: ok 9204 # correct SSSR count
199: ok 9205 # ring membership passed
199: ok 9206 # correct SSSR count
199: ok 9207 # ring membership passed
199: ok 9208 # correct SSSR count
199: ok 9209 # ring membership passed
199: ok 9210 # correct SSSR count
199: ok 9211 # ring membership passed
199: ok 9212 # correct SSSR count
199: ok 9213 # ring membership passed
199: ok 9214 # correct SSSR count
199: ok 9215 # ring membership passed
199: ok 9216 # correct SSSR count
199: ok 9217 # ring membership passed
199: ok 9218 # correct SSSR count
199: ok 9219 # ring membership passed
199: ok 9220 # correct SSSR count
199: ok 9221 # ring membership passed
199: ok 9222 # correct SSSR count
199: ok 9223 # ring membership passed
199: ok 9224 # correct SSSR count
199: ok 9225 # ring membership passed
199: ok 9226 # correct SSSR count
199: ok 9227 # ring membership passed
199: ok 9228 # correct SSSR count
199: ok 9229 # ring membership passed
199: ok 9230 # correct SSSR count
199: ok 9231 # ring membership passed
199: ok 9232 # correct SSSR count
199: ok 9233 # ring membership passed
199: ok 9234 # correct SSSR count
199: ok 9235 # ring membership passed
199: ok 9236 # correct SSSR count
199: ok 9237 # ring membership passed
199: ok 9238 # correct SSSR count
199: ok 9239 # ring membership passed
199: ok 9240 # correct SSSR count
199: ok 9241 # ring membership passed
199: ok 9242 # correct SSSR count
199: ok 9243 # ring membership passed
199: ok 9244 # correct SSSR count
199: ok 9245 # ring membership passed
199: ok 9246 # correct SSSR count
199: ok 9247 # ring membership passed
199: ok 9248 # correct SSSR count
199: ok 9249 # ring membership passed
199: ok 9250 # correct SSSR count
199: ok 9251 # ring membership passed
199: ok 9252 # correct SSSR count
199: ok 9253 # ring membership passed
199: ok 9254 # correct ring bond data
199: ok 9255 # correct ring bond data
199: ok 9256 # correct ring bond data
199: ok 9257 # correct ring bond data
199: ok 9258 # correct ring bond data
199: ok 9259 # correct ring bond data
199: ok 9260 # correct ring bond data
199: ok 9261 # correct ring bond data
199: ok 9262 # correct ring bond data
199: ok 9263 # correct ring bond data
199: ok 9264 # correct ring bond data
199: ok 9265 # correct ring bond data
199: ok 9266 # correct ring bond data
199: ok 9267 # correct ring bond data
199: ok 9268 # correct ring bond data
199: ok 9269 # correct ring bond data
199: ok 9270 # correct ring bond data
199: ok 9271 # correct ring bond data
199: ok 9272 # correct ring bond data
199: ok 9273 # SSSR size matches reference
199: ok 9274 # correct SSSR count
199: ok 9275 # ring membership passed
199: ok 9276 # correct SSSR count
199: ok 9277 # ring membership passed
199: ok 9278 # correct SSSR count
199: ok 9279 # ring membership passed
199: ok 9280 # correct SSSR count
199: ok 9281 # ring membership passed
199: ok 9282 # correct SSSR count
199: ok 9283 # ring membership passed
199: ok 9284 # correct SSSR count
199: ok 9285 # ring membership passed
199: ok 9286 # correct SSSR count
199: ok 9287 # ring membership passed
199: ok 9288 # correct SSSR count
199: ok 9289 # ring membership passed
199: ok 9290 # correct SSSR count
199: ok 9291 # ring membership passed
199: ok 9292 # correct SSSR count
199: ok 9293 # ring membership passed
199: ok 9294 # correct SSSR count
199: ok 9295 # ring membership passed
199: ok 9296 # correct SSSR count
199: ok 9297 # ring membership passed
199: ok 9298 # correct SSSR count
199: ok 9299 # ring membership passed
199: ok 9300 # correct SSSR count
199: ok 9301 # ring membership passed
199: ok 9302 # correct SSSR count
199: ok 9303 # ring membership passed
199: ok 9304 # correct SSSR count
199: ok 9305 # ring membership passed
199: ok 9306 # correct SSSR count
199: ok 9307 # ring membership passed
199: ok 9308 # correct SSSR count
199: ok 9309 # ring membership passed
199: ok 9310 # correct SSSR count
199: ok 9311 # ring membership passed
199: ok 9312 # correct ring bond data
199: ok 9313 # correct ring bond data
199: ok 9314 # correct ring bond data
199: ok 9315 # correct ring bond data
199: ok 9316 # correct ring bond data
199: ok 9317 # correct ring bond data
199: ok 9318 # correct ring bond data
199: ok 9319 # correct ring bond data
199: ok 9320 # correct ring bond data
199: ok 9321 # correct ring bond data
199: ok 9322 # correct ring bond data
199: ok 9323 # correct ring bond data
199: ok 9324 # correct ring bond data
199: ok 9325 # correct ring bond data
199: ok 9326 # correct ring bond data
199: ok 9327 # correct ring bond data
199: ok 9328 # correct ring bond data
199: ok 9329 # correct ring bond data
199: ok 9330 # correct ring bond data
199: ok 9331 # correct ring bond data
199: ok 9332 # correct ring bond data
199: ok 9333 # correct ring bond data
199: ok 9334 # correct ring bond data
199: ok 9335 # correct ring bond data
199: ok 9336 # correct ring bond data
199: ok 9337 # SSSR size matches reference
199: ok 9338 # correct SSSR count
199: ok 9339 # ring membership passed
199: ok 9340 # correct SSSR count
199: ok 9341 # ring membership passed
199: ok 9342 # correct SSSR count
199: ok 9343 # ring membership passed
199: ok 9344 # correct SSSR count
199: ok 9345 # ring membership passed
199: ok 9346 # correct SSSR count
199: ok 9347 # ring membership passed
199: ok 9348 # correct SSSR count
199: ok 9349 # ring membership passed
199: ok 9350 # correct SSSR count
199: ok 9351 # ring membership passed
199: ok 9352 # correct SSSR count
199: ok 9353 # ring membership passed
199: ok 9354 # correct SSSR count
199: ok 9355 # ring membership passed
199: ok 9356 # correct SSSR count
199: ok 9357 # ring membership passed
199: ok 9358 # correct SSSR count
199: ok 9359 # ring membership passed
199: ok 9360 # correct SSSR count
199: ok 9361 # ring membership passed
199: ok 9362 # correct SSSR count
199: ok 9363 # ring membership passed
199: ok 9364 # correct SSSR count
199: ok 9365 # ring membership passed
199: ok 9366 # correct SSSR count
199: ok 9367 # ring membership passed
199: ok 9368 # correct SSSR count
199: ok 9369 # ring membership passed
199: ok 9370 # correct SSSR count
199: ok 9371 # ring membership passed
199: ok 9372 # correct SSSR count
199: ok 9373 # ring membership passed
199: ok 9374 # correct SSSR count
199: ok 9375 # ring membership passed
199: ok 9376 # correct SSSR count
199: ok 9377 # ring membership passed
199: ok 9378 # correct SSSR count
199: ok 9379 # ring membership passed
199: ok 9380 # correct SSSR count
199: ok 9381 # ring membership passed
199: ok 9382 # correct ring bond data
199: ok 9383 # correct ring bond data
199: ok 9384 # correct ring bond data
199: ok 9385 # correct ring bond data
199: ok 9386 # correct ring bond data
199: ok 9387 # correct ring bond data
199: ok 9388 # correct ring bond data
199: ok 9389 # correct ring bond data
199: ok 9390 # correct ring bond data
199: ok 9391 # correct ring bond data
199: ok 9392 # correct ring bond data
199: ok 9393 # correct ring bond data
199: ok 9394 # correct ring bond data
199: ok 9395 # correct ring bond data
199: ok 9396 # correct ring bond data
199: ok 9397 # correct ring bond data
199: ok 9398 # correct ring bond data
199: ok 9399 # correct ring bond data
199: ok 9400 # SSSR size matches reference
199: ok 9401 # correct SSSR count
199: ok 9402 # ring membership passed
199: ok 9403 # correct SSSR count
199: ok 9404 # ring membership passed
199: ok 9405 # correct SSSR count
199: ok 9406 # ring membership passed
199: ok 9407 # correct SSSR count
199: ok 9408 # ring membership passed
199: ok 9409 # correct SSSR count
199: ok 9410 # ring membership passed
199: ok 9411 # correct SSSR count
199: ok 9412 # ring membership passed
199: ok 9413 # correct SSSR count
199: ok 9414 # ring membership passed
199: ok 9415 # correct SSSR count
199: ok 9416 # ring membership passed
199: ok 9417 # correct SSSR count
199: ok 9418 # ring membership passed
199: ok 9419 # correct SSSR count
199: ok 9420 # ring membership passed
199: ok 9421 # correct SSSR count
199: ok 9422 # ring membership passed
199: ok 9423 # correct SSSR count
199: ok 9424 # ring membership passed
199: ok 9425 # correct SSSR count
199: ok 9426 # ring membership passed
199: ok 9427 # correct SSSR count
199: ok 9428 # ring membership passed
199: ok 9429 # correct SSSR count
199: ok 9430 # ring membership passed
199: ok 9431 # correct SSSR count
199: ok 9432 # ring membership passed
199: ok 9433 # correct SSSR count
199: ok 9434 # ring membership passed
199: ok 9435 # correct ring bond data
199: ok 9436 # correct ring bond data
199: ok 9437 # correct ring bond data
199: ok 9438 # correct ring bond data
199: ok 9439 # correct ring bond data
199: ok 9440 # correct ring bond data
199: ok 9441 # correct ring bond data
199: ok 9442 # correct ring bond data
199: ok 9443 # correct ring bond data
199: ok 9444 # correct ring bond data
199: ok 9445 # correct ring bond data
199: ok 9446 # correct ring bond data
199: ok 9447 # correct ring bond data
199: ok 9448 # correct ring bond data
199: ok 9449 # correct ring bond data
199: ok 9450 # correct ring bond data
199: ok 9451 # correct ring bond data
199: ok 9452 # correct ring bond data
199: ok 9453 # correct ring bond data
199: ok 9454 # correct ring bond data
199: ok 9455 # correct ring bond data
199: ok 9456 # correct ring bond data
199: ok 9457 # correct ring bond data
199: ok 9458 # correct ring bond data
199: ok 9459 # correct ring bond data
199: ok 9460 # correct ring bond data
199: ok 9461 # correct ring bond data
199: ok 9462 # SSSR size matches reference
199: ok 9463 # correct SSSR count
199: ok 9464 # ring membership passed
199: ok 9465 # correct SSSR count
199: ok 9466 # ring membership passed
199: ok 9467 # correct SSSR count
199: ok 9468 # ring membership passed
199: ok 9469 # correct SSSR count
199: ok 9470 # ring membership passed
199: ok 9471 # correct SSSR count
199: ok 9472 # ring membership passed
199: ok 9473 # correct SSSR count
199: ok 9474 # ring membership passed
199: ok 9475 # correct SSSR count
199: ok 9476 # ring membership passed
199: ok 9477 # correct SSSR count
199: ok 9478 # ring membership passed
199: ok 9479 # correct SSSR count
199: ok 9480 # ring membership passed
199: ok 9481 # correct SSSR count
199: ok 9482 # ring membership passed
199: ok 9483 # correct SSSR count
199: ok 9484 # ring membership passed
199: ok 9485 # correct SSSR count
199: ok 9486 # ring membership passed
199: ok 9487 # correct SSSR count
199: ok 9488 # ring membership passed
199: ok 9489 # correct SSSR count
199: ok 9490 # ring membership passed
199: ok 9491 # correct SSSR count
199: ok 9492 # ring membership passed
199: ok 9493 # correct SSSR count
199: ok 9494 # ring membership passed
199: ok 9495 # correct SSSR count
199: ok 9496 # ring membership passed
199: ok 9497 # correct SSSR count
199: ok 9498 # ring membership passed
199: ok 9499 # correct SSSR count
199: ok 9500 # ring membership passed
199: ok 9501 # correct SSSR count
199: ok 9502 # ring membership passed
199: ok 9503 # correct SSSR count
199: ok 9504 # ring membership passed
199: ok 9505 # correct SSSR count
199: ok 9506 # ring membership passed
199: ok 9507 # correct SSSR count
199: ok 9508 # ring membership passed
199: ok 9509 # correct SSSR count
199: ok 9510 # ring membership passed
199: ok 9511 # correct SSSR count
199: ok 9512 # ring membership passed
199: ok 9513 # correct ring bond data
199: ok 9514 # correct ring bond data
199: ok 9515 # correct ring bond data
199: ok 9516 # correct ring bond data
199: ok 9517 # correct ring bond data
199: ok 9518 # correct ring bond data
199: ok 9519 # correct ring bond data
199: ok 9520 # correct ring bond data
199: ok 9521 # correct ring bond data
199: ok 9522 # correct ring bond data
199: ok 9523 # correct ring bond data
199: ok 9524 # correct ring bond data
199: ok 9525 # correct ring bond data
199: ok 9526 # correct ring bond data
199: ok 9527 # correct ring bond data
199: ok 9528 # correct ring bond data
199: ok 9529 # correct ring bond data
199: ok 9530 # correct ring bond data
199: ok 9531 # correct ring bond data
199: ok 9532 # correct ring bond data
199: ok 9533 # correct ring bond data
199: ok 9534 # correct ring bond data
199: ok 9535 # correct ring bond data
199: ok 9536 # correct ring bond data
199: ok 9537 # SSSR size matches reference
199: ok 9538 # correct SSSR count
199: ok 9539 # ring membership passed
199: ok 9540 # correct SSSR count
199: ok 9541 # ring membership passed
199: ok 9542 # correct SSSR count
199: ok 9543 # ring membership passed
199: ok 9544 # correct SSSR count
199: ok 9545 # ring membership passed
199: ok 9546 # correct SSSR count
199: ok 9547 # ring membership passed
199: ok 9548 # correct SSSR count
199: ok 9549 # ring membership passed
199: ok 9550 # correct SSSR count
199: ok 9551 # ring membership passed
199: ok 9552 # correct SSSR count
199: ok 9553 # ring membership passed
199: ok 9554 # correct SSSR count
199: ok 9555 # ring membership passed
199: ok 9556 # correct SSSR count
199: ok 9557 # ring membership passed
199: ok 9558 # correct SSSR count
199: ok 9559 # ring membership passed
199: ok 9560 # correct SSSR count
199: ok 9561 # ring membership passed
199: ok 9562 # correct SSSR count
199: ok 9563 # ring membership passed
199: ok 9564 # correct SSSR count
199: ok 9565 # ring membership passed
199: ok 9566 # correct SSSR count
199: ok 9567 # ring membership passed
199: ok 9568 # correct SSSR count
199: ok 9569 # ring membership passed
199: ok 9570 # correct SSSR count
199: ok 9571 # ring membership passed
199: ok 9572 # correct SSSR count
199: ok 9573 # ring membership passed
199: ok 9574 # correct SSSR count
199: ok 9575 # ring membership passed
199: ok 9576 # correct SSSR count
199: ok 9577 # ring membership passed
199: ok 9578 # correct SSSR count
199: ok 9579 # ring membership passed
199: ok 9580 # correct SSSR count
199: ok 9581 # ring membership passed
199: ok 9582 # correct SSSR count
199: ok 9583 # ring membership passed
199: ok 9584 # correct ring bond data
199: ok 9585 # correct ring bond data
199: ok 9586 # correct ring bond data
199: ok 9587 # correct ring bond data
199: ok 9588 # correct ring bond data
199: ok 9589 # correct ring bond data
199: ok 9590 # correct ring bond data
199: ok 9591 # correct ring bond data
199: ok 9592 # correct ring bond data
199: ok 9593 # correct ring bond data
199: ok 9594 # correct ring bond data
199: ok 9595 # correct ring bond data
199: ok 9596 # correct ring bond data
199: ok 9597 # correct ring bond data
199: ok 9598 # correct ring bond data
199: ok 9599 # correct ring bond data
199: ok 9600 # correct ring bond data
199: ok 9601 # correct ring bond data
199: ok 9602 # correct ring bond data
199: ok 9603 # correct ring bond data
199: ok 9604 # correct ring bond data
199: ok 9605 # correct ring bond data
199: ok 9606 # correct ring bond data
199: ok 9607 # correct ring bond data
199: ok 9608 # SSSR size matches reference
199: ok 9609 # correct SSSR count
199: ok 9610 # ring membership passed
199: ok 9611 # correct SSSR count
199: ok 9612 # ring membership passed
199: ok 9613 # correct SSSR count
199: ok 9614 # ring membership passed
199: ok 9615 # correct SSSR count
199: ok 9616 # ring membership passed
199: ok 9617 # correct SSSR count
199: ok 9618 # ring membership passed
199: ok 9619 # correct SSSR count
199: ok 9620 # ring membership passed
199: ok 9621 # correct SSSR count
199: ok 9622 # ring membership passed
199: ok 9623 # correct SSSR count
199: ok 9624 # ring membership passed
199: ok 9625 # correct SSSR count
199: ok 9626 # ring membership passed
199: ok 9627 # correct SSSR count
199: ok 9628 # ring membership passed
199: ok 9629 # correct SSSR count
199: ok 9630 # ring membership passed
199: ok 9631 # correct SSSR count
199: ok 9632 # ring membership passed
199: ok 9633 # correct SSSR count
199: ok 9634 # ring membership passed
199: ok 9635 # correct SSSR count
199: ok 9636 # ring membership passed
199: ok 9637 # correct SSSR count
199: ok 9638 # ring membership passed
199: ok 9639 # correct SSSR count
199: ok 9640 # ring membership passed
199: ok 9641 # correct SSSR count
199: ok 9642 # ring membership passed
199: ok 9643 # correct SSSR count
199: ok 9644 # ring membership passed
199: ok 9645 # correct SSSR count
199: ok 9646 # ring membership passed
199: ok 9647 # correct SSSR count
199: ok 9648 # ring membership passed
199: ok 9649 # correct SSSR count
199: ok 9650 # ring membership passed
199: ok 9651 # correct SSSR count
199: ok 9652 # ring membership passed
199: ok 9653 # correct ring bond data
199: ok 9654 # correct ring bond data
199: ok 9655 # correct ring bond data
199: ok 9656 # correct ring bond data
199: ok 9657 # correct ring bond data
199: ok 9658 # correct ring bond data
199: ok 9659 # correct ring bond data
199: ok 9660 # correct ring bond data
199: ok 9661 # correct ring bond data
199: ok 9662 # correct ring bond data
199: ok 9663 # correct ring bond data
199: ok 9664 # correct ring bond data
199: ok 9665 # correct ring bond data
199: ok 9666 # correct ring bond data
199: ok 9667 # correct ring bond data
199: ok 9668 # correct ring bond data
199: ok 9669 # correct ring bond data
199: ok 9670 # correct ring bond data
199: ok 9671 # correct ring bond data
199: ok 9672 # correct ring bond data
199: ok 9673 # correct ring bond data
199: ok 9674 # correct ring bond data
199: ok 9675 # correct ring bond data
199: ok 9676 # correct ring bond data
199: ok 9677 # correct ring bond data
199: ok 9678 # correct ring bond data
199: ok 9679 # correct ring bond data
199: ok 9680 # correct ring bond data
199: ok 9681 # correct ring bond data
199: ok 9682 # SSSR size matches reference
199: ok 9683 # correct SSSR count
199: ok 9684 # ring membership passed
199: ok 9685 # correct SSSR count
199: ok 9686 # ring membership passed
199: ok 9687 # correct SSSR count
199: ok 9688 # ring membership passed
199: ok 9689 # correct SSSR count
199: ok 9690 # ring membership passed
199: ok 9691 # correct SSSR count
199: ok 9692 # ring membership passed
199: ok 9693 # correct SSSR count
199: ok 9694 # ring membership passed
199: ok 9695 # correct SSSR count
199: ok 9696 # ring membership passed
199: ok 9697 # correct SSSR count
199: ok 9698 # ring membership passed
199: ok 9699 # correct SSSR count
199: ok 9700 # ring membership passed
199: ok 9701 # correct SSSR count
199: ok 9702 # ring membership passed
199: ok 9703 # correct SSSR count
199: ok 9704 # ring membership passed
199: ok 9705 # correct SSSR count
199: ok 9706 # ring membership passed
199: ok 9707 # correct SSSR count
199: ok 9708 # ring membership passed
199: ok 9709 # correct SSSR count
199: ok 9710 # ring membership passed
199: ok 9711 # correct SSSR count
199: ok 9712 # ring membership passed
199: ok 9713 # correct SSSR count
199: ok 9714 # ring membership passed
199: ok 9715 # correct SSSR count
199: ok 9716 # ring membership passed
199: ok 9717 # correct SSSR count
199: ok 9718 # ring membership passed
199: ok 9719 # correct SSSR count
199: ok 9720 # ring membership passed
199: ok 9721 # correct SSSR count
199: ok 9722 # ring membership passed
199: ok 9723 # correct SSSR count
199: ok 9724 # ring membership passed
199: ok 9725 # correct SSSR count
199: ok 9726 # ring membership passed
199: ok 9727 # correct SSSR count
199: ok 9728 # ring membership passed
199: ok 9729 # correct SSSR count
199: ok 9730 # ring membership passed
199: ok 9731 # correct SSSR count
199: ok 9732 # ring membership passed
199: ok 9733 # correct SSSR count
199: ok 9734 # ring membership passed
199: ok 9735 # correct SSSR count
199: ok 9736 # ring membership passed
199: ok 9737 # correct ring bond data
199: ok 9738 # correct ring bond data
199: ok 9739 # correct ring bond data
199: ok 9740 # correct ring bond data
199: ok 9741 # correct ring bond data
199: ok 9742 # correct ring bond data
199: ok 9743 # correct ring bond data
199: ok 9744 # correct ring bond data
199: ok 9745 # correct ring bond data
199: ok 9746 # correct ring bond data
199: ok 9747 # correct ring bond data
199: ok 9748 # correct ring bond data
199: ok 9749 # correct ring bond data
199: ok 9750 # correct ring bond data
199: ok 9751 # correct ring bond data
199: ok 9752 # correct ring bond data
199: ok 9753 # correct ring bond data
199: ok 9754 # correct ring bond data
199: ok 9755 # correct ring bond data
199: ok 9756 # correct ring bond data
199: ok 9757 # correct ring bond data
199: ok 9758 # correct ring bond data
199: ok 9759 # correct ring bond data
199: ok 9760 # correct ring bond data
199: ok 9761 # correct ring bond data
199: ok 9762 # correct ring bond data
199: ok 9763 # correct ring bond data
199: ok 9764 # correct ring bond data
199: ok 9765 # correct ring bond data
199: ok 9766 # SSSR size matches reference
199: ok 9767 # correct SSSR count
199: ok 9768 # ring membership passed
199: ok 9769 # correct SSSR count
199: ok 9770 # ring membership passed
199: ok 9771 # correct SSSR count
199: ok 9772 # ring membership passed
199: ok 9773 # correct SSSR count
199: ok 9774 # ring membership passed
199: ok 9775 # correct SSSR count
199: ok 9776 # ring membership passed
199: ok 9777 # correct SSSR count
199: ok 9778 # ring membership passed
199: ok 9779 # correct SSSR count
199: ok 9780 # ring membership passed
199: ok 9781 # correct SSSR count
199: ok 9782 # ring membership passed
199: ok 9783 # correct SSSR count
199: ok 9784 # ring membership passed
199: ok 9785 # correct SSSR count
199: ok 9786 # ring membership passed
199: ok 9787 # correct SSSR count
199: ok 9788 # ring membership passed
199: ok 9789 # correct SSSR count
199: ok 9790 # ring membership passed
199: ok 9791 # correct SSSR count
199: ok 9792 # ring membership passed
199: ok 9793 # correct SSSR count
199: ok 9794 # ring membership passed
199: ok 9795 # correct SSSR count
199: ok 9796 # ring membership passed
199: ok 9797 # correct SSSR count
199: ok 9798 # ring membership passed
199: ok 9799 # correct SSSR count
199: ok 9800 # ring membership passed
199: ok 9801 # correct SSSR count
199: ok 9802 # ring membership passed
199: ok 9803 # correct SSSR count
199: ok 9804 # ring membership passed
199: ok 9805 # correct SSSR count
199: ok 9806 # ring membership passed
199: ok 9807 # correct SSSR count
199: ok 9808 # ring membership passed
199: ok 9809 # correct SSSR count
199: ok 9810 # ring membership passed
199: ok 9811 # correct SSSR count
199: ok 9812 # ring membership passed
199: ok 9813 # correct SSSR count
199: ok 9814 # ring membership passed
199: ok 9815 # correct SSSR count
199: ok 9816 # ring membership passed
199: ok 9817 # correct SSSR count
199: ok 9818 # ring membership passed
199: ok 9819 # correct SSSR count
199: ok 9820 # ring membership passed
199: ok 9821 # correct ring bond data
199: ok 9822 # correct ring bond data
199: ok 9823 # correct ring bond data
199: ok 9824 # correct ring bond data
199: ok 9825 # correct ring bond data
199: ok 9826 # correct ring bond data
199: ok 9827 # correct ring bond data
199: ok 9828 # correct ring bond data
199: ok 9829 # correct ring bond data
199: ok 9830 # correct ring bond data
199: ok 9831 # correct ring bond data
199: ok 9832 # correct ring bond data
199: ok 9833 # correct ring bond data
199: ok 9834 # correct ring bond data
199: ok 9835 # correct ring bond data
199: ok 9836 # correct ring bond data
199: ok 9837 # correct ring bond data
199: ok 9838 # SSSR size matches reference
199: ok 9839 # correct SSSR count
199: ok 9840 # ring membership passed
199: ok 9841 # correct SSSR count
199: ok 9842 # ring membership passed
199: ok 9843 # correct SSSR count
199: ok 9844 # ring membership passed
199: ok 9845 # correct SSSR count
199: ok 9846 # ring membership passed
199: ok 9847 # correct SSSR count
199: ok 9848 # ring membership passed
199: ok 9849 # correct SSSR count
199: ok 9850 # ring membership passed
199: ok 9851 # correct SSSR count
199: ok 9852 # ring membership passed
199: ok 9853 # correct SSSR count
199: ok 9854 # ring membership passed
199: ok 9855 # correct SSSR count
199: ok 9856 # ring membership passed
199: ok 9857 # correct SSSR count
199: ok 9858 # ring membership passed
199: ok 9859 # correct SSSR count
199: ok 9860 # ring membership passed
199: ok 9861 # correct SSSR count
199: ok 9862 # ring membership passed
199: ok 9863 # correct SSSR count
199: ok 9864 # ring membership passed
199: ok 9865 # correct SSSR count
199: ok 9866 # ring membership passed
199: ok 9867 # correct SSSR count
199: ok 9868 # ring membership passed
199: ok 9869 # correct SSSR count
199: ok 9870 # ring membership passed
199: ok 9871 # correct ring bond data
199: ok 9872 # correct ring bond data
199: ok 9873 # correct ring bond data
199: ok 9874 # correct ring bond data
199: ok 9875 # correct ring bond data
199: ok 9876 # correct ring bond data
199: ok 9877 # correct ring bond data
199: ok 9878 # correct ring bond data
199: ok 9879 # correct ring bond data
199: ok 9880 # correct ring bond data
199: ok 9881 # correct ring bond data
199: ok 9882 # correct ring bond data
199: ok 9883 # correct ring bond data
199: ok 9884 # correct ring bond data
199: ok 9885 # correct ring bond data
199: ok 9886 # correct ring bond data
199: ok 9887 # correct ring bond data
199: ok 9888 # correct ring bond data
199: ok 9889 # SSSR size matches reference
199: ok 9890 # correct SSSR count
199: ok 9891 # ring membership passed
199: ok 9892 # correct SSSR count
199: ok 9893 # ring membership passed
199: ok 9894 # correct SSSR count
199: ok 9895 # ring membership passed
199: ok 9896 # correct SSSR count
199: ok 9897 # ring membership passed
199: ok 9898 # correct SSSR count
199: ok 9899 # ring membership passed
199: ok 9900 # correct SSSR count
199: ok 9901 # ring membership passed
199: ok 9902 # correct SSSR count
199: ok 9903 # ring membership passed
199: ok 9904 # correct SSSR count
199: ok 9905 # ring membership passed
199: ok 9906 # correct SSSR count
199: ok 9907 # ring membership passed
199: ok 9908 # correct SSSR count
199: ok 9909 # ring membership passed
199: ok 9910 # correct SSSR count
199: ok 9911 # ring membership passed
199: ok 9912 # correct SSSR count
199: ok 9913 # ring membership passed
199: ok 9914 # correct SSSR count
199: ok 9915 # ring membership passed
199: ok 9916 # correct SSSR count
199: ok 9917 # ring membership passed
199: ok 9918 # correct SSSR count
199: ok 9919 # ring membership passed
199: ok 9920 # correct SSSR count
199: ok 9921 # ring membership passed
199: ok 9922 # correct SSSR count
199: ok 9923 # ring membership passed
199: ok 9924 # correct SSSR count
199: ok 9925 # ring membership passed
199: ok 9926 # correct ring bond data
199: ok 9927 # correct ring bond data
199: ok 9928 # correct ring bond data
199: ok 9929 # correct ring bond data
199: ok 9930 # correct ring bond data
199: ok 9931 # correct ring bond data
199: ok 9932 # correct ring bond data
199: ok 9933 # correct ring bond data
199: ok 9934 # correct ring bond data
199: ok 9935 # correct ring bond data
199: ok 9936 # correct ring bond data
199: ok 9937 # correct ring bond data
199: ok 9938 # correct ring bond data
199: ok 9939 # correct ring bond data
199: ok 9940 # correct ring bond data
199: ok 9941 # correct ring bond data
199: ok 9942 # correct ring bond data
199: ok 9943 # correct ring bond data
199: ok 9944 # SSSR size matches reference
199: ok 9945 # correct SSSR count
199: ok 9946 # ring membership passed
199: ok 9947 # correct SSSR count
199: ok 9948 # ring membership passed
199: ok 9949 # correct SSSR count
199: ok 9950 # ring membership passed
199: ok 9951 # correct SSSR count
199: ok 9952 # ring membership passed
199: ok 9953 # correct SSSR count
199: ok 9954 # ring membership passed
199: ok 9955 # correct SSSR count
199: ok 9956 # ring membership passed
199: ok 9957 # correct SSSR count
199: ok 9958 # ring membership passed
199: ok 9959 # correct SSSR count
199: ok 9960 # ring membership passed
199: ok 9961 # correct SSSR count
199: ok 9962 # ring membership passed
199: ok 9963 # correct SSSR count
199: ok 9964 # ring membership passed
199: ok 9965 # correct SSSR count
199: ok 9966 # ring membership passed
199: ok 9967 # correct SSSR count
199: ok 9968 # ring membership passed
199: ok 9969 # correct SSSR count
199: ok 9970 # ring membership passed
199: ok 9971 # correct SSSR count
199: ok 9972 # ring membership passed
199: ok 9973 # correct SSSR count
199: ok 9974 # ring membership passed
199: ok 9975 # correct SSSR count
199: ok 9976 # ring membership passed
199: ok 9977 # correct SSSR count
199: ok 9978 # ring membership passed
199: ok 9979 # correct SSSR count
199: ok 9980 # ring membership passed
199: ok 9981 # correct ring bond data
199: ok 9982 # correct ring bond data
199: ok 9983 # correct ring bond data
199: ok 9984 # correct ring bond data
199: ok 9985 # correct ring bond data
199: ok 9986 # correct ring bond data
199: ok 9987 # correct ring bond data
199: ok 9988 # correct ring bond data
199: ok 9989 # correct ring bond data
199: ok 9990 # correct ring bond data
199: ok 9991 # correct ring bond data
199: ok 9992 # correct ring bond data
199: ok 9993 # correct ring bond data
199: ok 9994 # correct ring bond data
199: ok 9995 # correct ring bond data
199: ok 9996 # correct ring bond data
199: ok 9997 # correct ring bond data
199: ok 9998 # correct ring bond data
199: ok 9999 # SSSR size matches reference
199: ok 10000 # correct SSSR count
199: ok 10001 # ring membership passed
199: ok 10002 # correct SSSR count
199: ok 10003 # ring membership passed
199: ok 10004 # correct SSSR count
199: ok 10005 # ring membership passed
199: ok 10006 # correct SSSR count
199: ok 10007 # ring membership passed
199: ok 10008 # correct SSSR count
199: ok 10009 # ring membership passed
199: ok 10010 # correct SSSR count
199: ok 10011 # ring membership passed
199: ok 10012 # correct SSSR count
199: ok 10013 # ring membership passed
199: ok 10014 # correct SSSR count
199: ok 10015 # ring membership passed
199: ok 10016 # correct SSSR count
199: ok 10017 # ring membership passed
199: ok 10018 # correct SSSR count
199: ok 10019 # ring membership passed
199: ok 10020 # correct SSSR count
199: ok 10021 # ring membership passed
199: ok 10022 # correct SSSR count
199: ok 10023 # ring membership passed
199: ok 10024 # correct SSSR count
199: ok 10025 # ring membership passed
199: ok 10026 # correct SSSR count
199: ok 10027 # ring membership passed
199: ok 10028 # correct SSSR count
199: ok 10029 # ring membership passed
199: ok 10030 # correct SSSR count
199: ok 10031 # ring membership passed
199: ok 10032 # correct SSSR count
199: ok 10033 # ring membership passed
199: ok 10034 # correct SSSR count
199: ok 10035 # ring membership passed
199: ok 10036 # correct ring bond data
199: ok 10037 # correct ring bond data
199: ok 10038 # correct ring bond data
199: ok 10039 # correct ring bond data
199: ok 10040 # correct ring bond data
199: ok 10041 # correct ring bond data
199: ok 10042 # correct ring bond data
199: ok 10043 # correct ring bond data
199: ok 10044 # correct ring bond data
199: ok 10045 # correct ring bond data
199: ok 10046 # correct ring bond data
199: ok 10047 # correct ring bond data
199: ok 10048 # correct ring bond data
199: ok 10049 # correct ring bond data
199: ok 10050 # correct ring bond data
199: ok 10051 # correct ring bond data
199: ok 10052 # correct ring bond data
199: ok 10053 # correct ring bond data
199: ok 10054 # correct ring bond data
199: ok 10055 # correct ring bond data
199: ok 10056 # correct ring bond data
199: ok 10057 # correct ring bond data
199: ok 10058 # correct ring bond data
199: ok 10059 # correct ring bond data
199: ok 10060 # correct ring bond data
199: ok 10061 # correct ring bond data
199: ok 10062 # correct ring bond data
199: ok 10063 # correct ring bond data
199: ok 10064 # correct ring bond data
199: ok 10065 # correct ring bond data
199: ok 10066 # correct ring bond data
199: ok 10067 # SSSR size matches reference
199: ok 10068 # correct SSSR count
199: ok 10069 # ring membership passed
199: ok 10070 # correct SSSR count
199: ok 10071 # ring membership passed
199: ok 10072 # correct SSSR count
199: ok 10073 # ring membership passed
199: ok 10074 # correct SSSR count
199: ok 10075 # ring membership passed
199: ok 10076 # correct SSSR count
199: ok 10077 # ring membership passed
199: ok 10078 # correct SSSR count
199: ok 10079 # ring membership passed
199: ok 10080 # correct SSSR count
199: ok 10081 # ring membership passed
199: ok 10082 # correct SSSR count
199: ok 10083 # ring membership passed
199: ok 10084 # correct SSSR count
199: ok 10085 # ring membership passed
199: ok 10086 # correct SSSR count
199: ok 10087 # ring membership passed
199: ok 10088 # correct SSSR count
199: ok 10089 # ring membership passed
199: ok 10090 # correct SSSR count
199: ok 10091 # ring membership passed
199: ok 10092 # correct SSSR count
199: ok 10093 # ring membership passed
199: ok 10094 # correct SSSR count
199: ok 10095 # ring membership passed
199: ok 10096 # correct SSSR count
199: ok 10097 # ring membership passed
199: ok 10098 # correct SSSR count
199: ok 10099 # ring membership passed
199: ok 10100 # correct SSSR count
199: ok 10101 # ring membership passed
199: ok 10102 # correct SSSR count
199: ok 10103 # ring membership passed
199: ok 10104 # correct SSSR count
199: ok 10105 # ring membership passed
199: ok 10106 # correct SSSR count
199: ok 10107 # ring membership passed
199: ok 10108 # correct SSSR count
199: ok 10109 # ring membership passed
199: ok 10110 # correct SSSR count
199: ok 10111 # ring membership passed
199: ok 10112 # correct SSSR count
199: ok 10113 # ring membership passed
199: ok 10114 # correct SSSR count
199: ok 10115 # ring membership passed
199: ok 10116 # correct SSSR count
199: ok 10117 # ring membership passed
199: ok 10118 # correct SSSR count
199: ok 10119 # ring membership passed
199: ok 10120 # correct SSSR count
199: ok 10121 # ring membership passed
199: ok 10122 # correct SSSR count
199: ok 10123 # ring membership passed
199: ok 10124 # correct ring bond data
199: ok 10125 # correct ring bond data
199: ok 10126 # correct ring bond data
199: ok 10127 # correct ring bond data
199: ok 10128 # correct ring bond data
199: ok 10129 # correct ring bond data
199: ok 10130 # correct ring bond data
199: ok 10131 # correct ring bond data
199: ok 10132 # correct ring bond data
199: ok 10133 # correct ring bond data
199: ok 10134 # SSSR size matches reference
199: ok 10135 # correct SSSR count
199: ok 10136 # ring membership passed
199: ok 10137 # correct SSSR count
199: ok 10138 # ring membership passed
199: ok 10139 # correct SSSR count
199: ok 10140 # ring membership passed
199: ok 10141 # correct SSSR count
199: ok 10142 # ring membership passed
199: ok 10143 # correct SSSR count
199: ok 10144 # ring membership passed
199: ok 10145 # correct SSSR count
199: ok 10146 # ring membership passed
199: ok 10147 # correct SSSR count
199: ok 10148 # ring membership passed
199: ok 10149 # correct SSSR count
199: ok 10150 # ring membership passed
199: ok 10151 # correct SSSR count
199: ok 10152 # ring membership passed
199: ok 10153 # correct SSSR count
199: ok 10154 # ring membership passed
199: ok 10155 # correct ring bond data
199: ok 10156 # correct ring bond data
199: ok 10157 # correct ring bond data
199: ok 10158 # correct ring bond data
199: ok 10159 # correct ring bond data
199: ok 10160 # correct ring bond data
199: ok 10161 # correct ring bond data
199: ok 10162 # correct ring bond data
199: ok 10163 # correct ring bond data
199: ok 10164 # correct ring bond data
199: ok 10165 # correct ring bond data
199: ok 10166 # correct ring bond data
199: ok 10167 # correct ring bond data
199: ok 10168 # correct ring bond data
199: ok 10169 # correct ring bond data
199: ok 10170 # correct ring bond data
199: ok 10171 # correct ring bond data
199: ok 10172 # correct ring bond data
199: ok 10173 # correct ring bond data
199: ok 10174 # correct ring bond data
199: ok 10175 # SSSR size matches reference
199: ok 10176 # correct SSSR count
199: ok 10177 # ring membership passed
199: ok 10178 # correct SSSR count
199: ok 10179 # ring membership passed
199: ok 10180 # correct SSSR count
199: ok 10181 # ring membership passed
199: ok 10182 # correct SSSR count
199: ok 10183 # ring membership passed
199: ok 10184 # correct SSSR count
199: ok 10185 # ring membership passed
199: ok 10186 # correct SSSR count
199: ok 10187 # ring membership passed
199: ok 10188 # correct SSSR count
199: ok 10189 # ring membership passed
199: ok 10190 # correct SSSR count
199: ok 10191 # ring membership passed
199: ok 10192 # correct SSSR count
199: ok 10193 # ring membership passed
199: ok 10194 # correct SSSR count
199: ok 10195 # ring membership passed
199: ok 10196 # correct SSSR count
199: ok 10197 # ring membership passed
199: ok 10198 # correct SSSR count
199: ok 10199 # ring membership passed
199: ok 10200 # correct SSSR count
199: ok 10201 # ring membership passed
199: ok 10202 # correct SSSR count
199: ok 10203 # ring membership passed
199: ok 10204 # correct SSSR count
199: ok 10205 # ring membership passed
199: ok 10206 # correct SSSR count
199: ok 10207 # ring membership passed
199: ok 10208 # correct SSSR count
199: ok 10209 # ring membership passed
199: ok 10210 # correct SSSR count
199: ok 10211 # ring membership passed
199: ok 10212 # correct SSSR count
199: ok 10213 # ring membership passed
199: ok 10214 # correct SSSR count
199: ok 10215 # ring membership passed
199: ok 10216 # correct ring bond data
199: ok 10217 # correct ring bond data
199: ok 10218 # correct ring bond data
199: ok 10219 # correct ring bond data
199: ok 10220 # correct ring bond data
199: ok 10221 # correct ring bond data
199: ok 10222 # correct ring bond data
199: ok 10223 # correct ring bond data
199: ok 10224 # correct ring bond data
199: ok 10225 # correct ring bond data
199: ok 10226 # correct ring bond data
199: ok 10227 # correct ring bond data
199: ok 10228 # correct ring bond data
199: ok 10229 # correct ring bond data
199: ok 10230 # correct ring bond data
199: ok 10231 # correct ring bond data
199: ok 10232 # correct ring bond data
199: ok 10233 # correct ring bond data
199: ok 10234 # correct ring bond data
199: ok 10235 # correct ring bond data
199: ok 10236 # correct ring bond data
199: ok 10237 # correct ring bond data
199: ok 10238 # correct ring bond data
199: ok 10239 # correct ring bond data
199: ok 10240 # correct ring bond data
199: ok 10241 # correct ring bond data
199: ok 10242 # correct ring bond data
199: ok 10243 # correct ring bond data
199: ok 10244 # correct ring bond data
199: ok 10245 # SSSR size matches reference
199: ok 10246 # correct SSSR count
199: ok 10247 # ring membership passed
199: ok 10248 # correct SSSR count
199: ok 10249 # ring membership passed
199: ok 10250 # correct SSSR count
199: ok 10251 # ring membership passed
199: ok 10252 # correct SSSR count
199: ok 10253 # ring membership passed
199: ok 10254 # correct SSSR count
199: ok 10255 # ring membership passed
199: ok 10256 # correct SSSR count
199: ok 10257 # ring membership passed
199: ok 10258 # correct SSSR count
199: ok 10259 # ring membership passed
199: ok 10260 # correct SSSR count
199: ok 10261 # ring membership passed
199: ok 10262 # correct SSSR count
199: ok 10263 # ring membership passed
199: ok 10264 # correct SSSR count
199: ok 10265 # ring membership passed
199: ok 10266 # correct SSSR count
199: ok 10267 # ring membership passed
199: ok 10268 # correct SSSR count
199: ok 10269 # ring membership passed
199: ok 10270 # correct SSSR count
199: ok 10271 # ring membership passed
199: ok 10272 # correct SSSR count
199: ok 10273 # ring membership passed
199: ok 10274 # correct SSSR count
199: ok 10275 # ring membership passed
199: ok 10276 # correct SSSR count
199: ok 10277 # ring membership passed
199: ok 10278 # correct SSSR count
199: ok 10279 # ring membership passed
199: ok 10280 # correct SSSR count
199: ok 10281 # ring membership passed
199: ok 10282 # correct SSSR count
199: ok 10283 # ring membership passed
199: ok 10284 # correct SSSR count
199: ok 10285 # ring membership passed
199: ok 10286 # correct SSSR count
199: ok 10287 # ring membership passed
199: ok 10288 # correct SSSR count
199: ok 10289 # ring membership passed
199: ok 10290 # correct SSSR count
199: ok 10291 # ring membership passed
199: ok 10292 # correct SSSR count
199: ok 10293 # ring membership passed
199: ok 10294 # correct SSSR count
199: ok 10295 # ring membership passed
199: ok 10296 # correct SSSR count
199: ok 10297 # ring membership passed
199: ok 10298 # correct ring bond data
199: ok 10299 # correct ring bond data
199: ok 10300 # correct ring bond data
199: ok 10301 # correct ring bond data
199: ok 10302 # correct ring bond data
199: ok 10303 # correct ring bond data
199: ok 10304 # correct ring bond data
199: ok 10305 # correct ring bond data
199: ok 10306 # correct ring bond data
199: ok 10307 # correct ring bond data
199: ok 10308 # correct ring bond data
199: ok 10309 # correct ring bond data
199: ok 10310 # correct ring bond data
199: ok 10311 # correct ring bond data
199: ok 10312 # correct ring bond data
199: ok 10313 # correct ring bond data
199: ok 10314 # SSSR size matches reference
199: ok 10315 # correct SSSR count
199: ok 10316 # ring membership passed
199: ok 10317 # correct SSSR count
199: ok 10318 # ring membership passed
199: ok 10319 # correct SSSR count
199: ok 10320 # ring membership passed
199: ok 10321 # correct SSSR count
199: ok 10322 # ring membership passed
199: ok 10323 # correct SSSR count
199: ok 10324 # ring membership passed
199: ok 10325 # correct SSSR count
199: ok 10326 # ring membership passed
199: ok 10327 # correct SSSR count
199: ok 10328 # ring membership passed
199: ok 10329 # correct SSSR count
199: ok 10330 # ring membership passed
199: ok 10331 # correct SSSR count
199: ok 10332 # ring membership passed
199: ok 10333 # correct SSSR count
199: ok 10334 # ring membership passed
199: ok 10335 # correct SSSR count
199: ok 10336 # ring membership passed
199: ok 10337 # correct SSSR count
199: ok 10338 # ring membership passed
199: ok 10339 # correct SSSR count
199: ok 10340 # ring membership passed
199: ok 10341 # correct SSSR count
199: ok 10342 # ring membership passed
199: ok 10343 # correct SSSR count
199: ok 10344 # ring membership passed
199: ok 10345 # correct ring bond data
199: ok 10346 # correct ring bond data
199: ok 10347 # correct ring bond data
199: ok 10348 # correct ring bond data
199: ok 10349 # correct ring bond data
199: ok 10350 # correct ring bond data
199: ok 10351 # correct ring bond data
199: ok 10352 # correct ring bond data
199: ok 10353 # correct ring bond data
199: ok 10354 # correct ring bond data
199: ok 10355 # correct ring bond data
199: ok 10356 # correct ring bond data
199: ok 10357 # correct ring bond data
199: ok 10358 # correct ring bond data
199: ok 10359 # correct ring bond data
199: ok 10360 # correct ring bond data
199: ok 10361 # correct ring bond data
199: ok 10362 # correct ring bond data
199: ok 10363 # correct ring bond data
199: ok 10364 # correct ring bond data
199: ok 10365 # correct ring bond data
199: ok 10366 # SSSR size matches reference
199: ok 10367 # correct SSSR count
199: ok 10368 # ring membership passed
199: ok 10369 # correct SSSR count
199: ok 10370 # ring membership passed
199: ok 10371 # correct SSSR count
199: ok 10372 # ring membership passed
199: ok 10373 # correct SSSR count
199: ok 10374 # ring membership passed
199: ok 10375 # correct SSSR count
199: ok 10376 # ring membership passed
199: ok 10377 # correct SSSR count
199: ok 10378 # ring membership passed
199: ok 10379 # correct SSSR count
199: ok 10380 # ring membership passed
199: ok 10381 # correct SSSR count
199: ok 10382 # ring membership passed
199: ok 10383 # correct SSSR count
199: ok 10384 # ring membership passed
199: ok 10385 # correct SSSR count
199: ok 10386 # ring membership passed
199: ok 10387 # correct SSSR count
199: ok 10388 # ring membership passed
199: ok 10389 # correct SSSR count
199: ok 10390 # ring membership passed
199: ok 10391 # correct SSSR count
199: ok 10392 # ring membership passed
199: ok 10393 # correct SSSR count
199: ok 10394 # ring membership passed
199: ok 10395 # correct SSSR count
199: ok 10396 # ring membership passed
199: ok 10397 # correct SSSR count
199: ok 10398 # ring membership passed
199: ok 10399 # correct SSSR count
199: ok 10400 # ring membership passed
199: ok 10401 # correct SSSR count
199: ok 10402 # ring membership passed
199: ok 10403 # correct SSSR count
199: ok 10404 # ring membership passed
199: ok 10405 # correct SSSR count
199: ok 10406 # ring membership passed
199: ok 10407 # correct ring bond data
199: ok 10408 # correct ring bond data
199: ok 10409 # correct ring bond data
199: ok 10410 # correct ring bond data
199: ok 10411 # correct ring bond data
199: ok 10412 # correct ring bond data
199: ok 10413 # correct ring bond data
199: ok 10414 # correct ring bond data
199: ok 10415 # correct ring bond data
199: ok 10416 # correct ring bond data
199: ok 10417 # correct ring bond data
199: ok 10418 # correct ring bond data
199: ok 10419 # correct ring bond data
199: ok 10420 # correct ring bond data
199: ok 10421 # correct ring bond data
199: ok 10422 # correct ring bond data
199: ok 10423 # correct ring bond data
199: ok 10424 # correct ring bond data
199: ok 10425 # correct ring bond data
199: ok 10426 # correct ring bond data
199: ok 10427 # correct ring bond data
199: ok 10428 # correct ring bond data
199: ok 10429 # correct ring bond data
199: ok 10430 # correct ring bond data
199: ok 10431 # correct ring bond data
199: ok 10432 # correct ring bond data
199: ok 10433 # correct ring bond data
199: ok 10434 # correct ring bond data
199: ok 10435 # SSSR size matches reference
199: ok 10436 # correct SSSR count
199: ok 10437 # ring membership passed
199: ok 10438 # correct SSSR count
199: ok 10439 # ring membership passed
199: ok 10440 # correct SSSR count
199: ok 10441 # ring membership passed
199: ok 10442 # correct SSSR count
199: ok 10443 # ring membership passed
199: ok 10444 # correct SSSR count
199: ok 10445 # ring membership passed
199: ok 10446 # correct SSSR count
199: ok 10447 # ring membership passed
199: ok 10448 # correct SSSR count
199: ok 10449 # ring membership passed
199: ok 10450 # correct SSSR count
199: ok 10451 # ring membership passed
199: ok 10452 # correct SSSR count
199: ok 10453 # ring membership passed
199: ok 10454 # correct SSSR count
199: ok 10455 # ring membership passed
199: ok 10456 # correct SSSR count
199: ok 10457 # ring membership passed
199: ok 10458 # correct SSSR count
199: ok 10459 # ring membership passed
199: ok 10460 # correct SSSR count
199: ok 10461 # ring membership passed
199: ok 10462 # correct SSSR count
199: ok 10463 # ring membership passed
199: ok 10464 # correct SSSR count
199: ok 10465 # ring membership passed
199: ok 10466 # correct SSSR count
199: ok 10467 # ring membership passed
199: ok 10468 # correct SSSR count
199: ok 10469 # ring membership passed
199: ok 10470 # correct SSSR count
199: ok 10471 # ring membership passed
199: ok 10472 # correct SSSR count
199: ok 10473 # ring membership passed
199: ok 10474 # correct SSSR count
199: ok 10475 # ring membership passed
199: ok 10476 # correct SSSR count
199: ok 10477 # ring membership passed
199: ok 10478 # correct SSSR count
199: ok 10479 # ring membership passed
199: ok 10480 # correct SSSR count
199: ok 10481 # ring membership passed
199: ok 10482 # correct SSSR count
199: ok 10483 # ring membership passed
199: ok 10484 # correct SSSR count
199: ok 10485 # ring membership passed
199: ok 10486 # correct SSSR count
199: ok 10487 # ring membership passed
199: ok 10488 # correct SSSR count
199: ok 10489 # ring membership passed
199: ok 10490 # correct ring bond data
199: ok 10491 # correct ring bond data
199: ok 10492 # correct ring bond data
199: ok 10493 # correct ring bond data
199: ok 10494 # correct ring bond data
199: ok 10495 # correct ring bond data
199: ok 10496 # correct ring bond data
199: ok 10497 # correct ring bond data
199: ok 10498 # correct ring bond data
199: ok 10499 # correct ring bond data
199: ok 10500 # correct ring bond data
199: ok 10501 # correct ring bond data
199: ok 10502 # correct ring bond data
199: ok 10503 # correct ring bond data
199: ok 10504 # correct ring bond data
199: ok 10505 # correct ring bond data
199: ok 10506 # correct ring bond data
199: ok 10507 # correct ring bond data
199: ok 10508 # correct ring bond data
199: ok 10509 # SSSR size matches reference
199: ok 10510 # correct SSSR count
199: ok 10511 # ring membership passed
199: ok 10512 # correct SSSR count
199: ok 10513 # ring membership passed
199: ok 10514 # correct SSSR count
199: ok 10515 # ring membership passed
199: ok 10516 # correct SSSR count
199: ok 10517 # ring membership passed
199: ok 10518 # correct SSSR count
199: ok 10519 # ring membership passed
199: ok 10520 # correct SSSR count
199: ok 10521 # ring membership passed
199: ok 10522 # correct SSSR count
199: ok 10523 # ring membership passed
199: ok 10524 # correct SSSR count
199: ok 10525 # ring membership passed
199: ok 10526 # correct SSSR count
199: ok 10527 # ring membership passed
199: ok 10528 # correct SSSR count
199: ok 10529 # ring membership passed
199: ok 10530 # correct SSSR count
199: ok 10531 # ring membership passed
199: ok 10532 # correct SSSR count
199: ok 10533 # ring membership passed
199: ok 10534 # correct SSSR count
199: ok 10535 # ring membership passed
199: ok 10536 # correct SSSR count
199: ok 10537 # ring membership passed
199: ok 10538 # correct SSSR count
199: ok 10539 # ring membership passed
199: ok 10540 # correct SSSR count
199: ok 10541 # ring membership passed
199: ok 10542 # correct SSSR count
199: ok 10543 # ring membership passed
199: ok 10544 # correct SSSR count
199: ok 10545 # ring membership passed
199: ok 10546 # correct ring bond data
199: ok 10547 # correct ring bond data
199: ok 10548 # correct ring bond data
199: ok 10549 # correct ring bond data
199: ok 10550 # correct ring bond data
199: ok 10551 # correct ring bond data
199: ok 10552 # correct ring bond data
199: ok 10553 # correct ring bond data
199: ok 10554 # correct ring bond data
199: ok 10555 # correct ring bond data
199: ok 10556 # correct ring bond data
199: ok 10557 # correct ring bond data
199: ok 10558 # correct ring bond data
199: ok 10559 # correct ring bond data
199: ok 10560 # correct ring bond data
199: ok 10561 # correct ring bond data
199: ok 10562 # correct ring bond data
199: ok 10563 # correct ring bond data
199: ok 10564 # correct ring bond data
199: ok 10565 # correct ring bond data
199: ok 10566 # correct ring bond data
199: ok 10567 # correct ring bond data
199: ok 10568 # correct ring bond data
199: ok 10569 # correct ring bond data
199: ok 10570 # correct ring bond data
199: ok 10571 # SSSR size matches reference
199: ok 10572 # correct SSSR count
199: ok 10573 # ring membership passed
199: ok 10574 # correct SSSR count
199: ok 10575 # ring membership passed
199: ok 10576 # correct SSSR count
199: ok 10577 # ring membership passed
199: ok 10578 # correct SSSR count
199: ok 10579 # ring membership passed
199: ok 10580 # correct SSSR count
199: ok 10581 # ring membership passed
199: ok 10582 # correct SSSR count
199: ok 10583 # ring membership passed
199: ok 10584 # correct SSSR count
199: ok 10585 # ring membership passed
199: ok 10586 # correct SSSR count
199: ok 10587 # ring membership passed
199: ok 10588 # correct SSSR count
199: ok 10589 # ring membership passed
199: ok 10590 # correct SSSR count
199: ok 10591 # ring membership passed
199: ok 10592 # correct SSSR count
199: ok 10593 # ring membership passed
199: ok 10594 # correct SSSR count
199: ok 10595 # ring membership passed
199: ok 10596 # correct SSSR count
199: ok 10597 # ring membership passed
199: ok 10598 # correct SSSR count
199: ok 10599 # ring membership passed
199: ok 10600 # correct SSSR count
199: ok 10601 # ring membership passed
199: ok 10602 # correct SSSR count
199: ok 10603 # ring membership passed
199: ok 10604 # correct SSSR count
199: ok 10605 # ring membership passed
199: ok 10606 # correct SSSR count
199: ok 10607 # ring membership passed
199: ok 10608 # correct SSSR count
199: ok 10609 # ring membership passed
199: ok 10610 # correct SSSR count
199: ok 10611 # ring membership passed
199: ok 10612 # correct SSSR count
199: ok 10613 # ring membership passed
199: ok 10614 # correct SSSR count
199: ok 10615 # ring membership passed
199: ok 10616 # correct SSSR count
199: ok 10617 # ring membership passed
199: ok 10618 # correct ring bond data
199: ok 10619 # correct ring bond data
199: ok 10620 # correct ring bond data
199: ok 10621 # correct ring bond data
199: ok 10622 # correct ring bond data
199: ok 10623 # correct ring bond data
199: ok 10624 # correct ring bond data
199: ok 10625 # correct ring bond data
199: ok 10626 # correct ring bond data
199: ok 10627 # correct ring bond data
199: ok 10628 # correct ring bond data
199: ok 10629 # correct ring bond data
199: ok 10630 # correct ring bond data
199: ok 10631 # correct ring bond data
199: ok 10632 # correct ring bond data
199: ok 10633 # correct ring bond data
199: ok 10634 # correct ring bond data
199: ok 10635 # correct ring bond data
199: ok 10636 # correct ring bond data
199: ok 10637 # correct ring bond data
199: ok 10638 # correct ring bond data
199: ok 10639 # correct ring bond data
199: ok 10640 # correct ring bond data
199: ok 10641 # correct ring bond data
199: ok 10642 # SSSR size matches reference
199: ok 10643 # correct SSSR count
199: ok 10644 # ring membership passed
199: ok 10645 # correct SSSR count
199: ok 10646 # ring membership passed
199: ok 10647 # correct SSSR count
199: ok 10648 # ring membership passed
199: ok 10649 # correct SSSR count
199: ok 10650 # ring membership passed
199: ok 10651 # correct SSSR count
199: ok 10652 # ring membership passed
199: ok 10653 # correct SSSR count
199: ok 10654 # ring membership passed
199: ok 10655 # correct SSSR count
199: ok 10656 # ring membership passed
199: ok 10657 # correct SSSR count
199: ok 10658 # ring membership passed
199: ok 10659 # correct SSSR count
199: ok 10660 # ring membership passed
199: ok 10661 # correct SSSR count
199: ok 10662 # ring membership passed
199: ok 10663 # correct SSSR count
199: ok 10664 # ring membership passed
199: ok 10665 # correct SSSR count
199: ok 10666 # ring membership passed
199: ok 10667 # correct SSSR count
199: ok 10668 # ring membership passed
199: ok 10669 # correct SSSR count
199: ok 10670 # ring membership passed
199: ok 10671 # correct SSSR count
199: ok 10672 # ring membership passed
199: ok 10673 # correct SSSR count
199: ok 10674 # ring membership passed
199: ok 10675 # correct SSSR count
199: ok 10676 # ring membership passed
199: ok 10677 # correct SSSR count
199: ok 10678 # ring membership passed
199: ok 10679 # correct SSSR count
199: ok 10680 # ring membership passed
199: ok 10681 # correct SSSR count
199: ok 10682 # ring membership passed
199: ok 10683 # correct SSSR count
199: ok 10684 # ring membership passed
199: ok 10685 # correct SSSR count
199: ok 10686 # ring membership passed
199: ok 10687 # correct ring bond data
199: ok 10688 # correct ring bond data
199: ok 10689 # correct ring bond data
199: ok 10690 # correct ring bond data
199: ok 10691 # correct ring bond data
199: ok 10692 # correct ring bond data
199: ok 10693 # correct ring bond data
199: ok 10694 # correct ring bond data
199: ok 10695 # correct ring bond data
199: ok 10696 # correct ring bond data
199: ok 10697 # correct ring bond data
199: ok 10698 # correct ring bond data
199: ok 10699 # correct ring bond data
199: ok 10700 # correct ring bond data
199: ok 10701 # correct ring bond data
199: ok 10702 # correct ring bond data
199: ok 10703 # correct ring bond data
199: ok 10704 # correct ring bond data
199: ok 10705 # correct ring bond data
199: ok 10706 # SSSR size matches reference
199: ok 10707 # correct SSSR count
199: ok 10708 # ring membership passed
199: ok 10709 # correct SSSR count
199: ok 10710 # ring membership passed
199: ok 10711 # correct SSSR count
199: ok 10712 # ring membership passed
199: ok 10713 # correct SSSR count
199: ok 10714 # ring membership passed
199: ok 10715 # correct SSSR count
199: ok 10716 # ring membership passed
199: ok 10717 # correct SSSR count
199: ok 10718 # ring membership passed
199: ok 10719 # correct SSSR count
199: ok 10720 # ring membership passed
199: ok 10721 # correct SSSR count
199: ok 10722 # ring membership passed
199: ok 10723 # correct SSSR count
199: ok 10724 # ring membership passed
199: ok 10725 # correct SSSR count
199: ok 10726 # ring membership passed
199: ok 10727 # correct SSSR count
199: ok 10728 # ring membership passed
199: ok 10729 # correct SSSR count
199: ok 10730 # ring membership passed
199: ok 10731 # correct SSSR count
199: ok 10732 # ring membership passed
199: ok 10733 # correct SSSR count
199: ok 10734 # ring membership passed
199: ok 10735 # correct SSSR count
199: ok 10736 # ring membership passed
199: ok 10737 # correct SSSR count
199: ok 10738 # ring membership passed
199: ok 10739 # correct SSSR count
199: ok 10740 # ring membership passed
199: ok 10741 # correct SSSR count
199: ok 10742 # ring membership passed
199: ok 10743 # correct SSSR count
199: ok 10744 # ring membership passed
199: ok 10745 # correct ring bond data
199: ok 10746 # correct ring bond data
199: ok 10747 # correct ring bond data
199: ok 10748 # correct ring bond data
199: ok 10749 # correct ring bond data
199: ok 10750 # correct ring bond data
199: ok 10751 # correct ring bond data
199: ok 10752 # correct ring bond data
199: ok 10753 # correct ring bond data
199: ok 10754 # correct ring bond data
199: ok 10755 # correct ring bond data
199: ok 10756 # correct ring bond data
199: ok 10757 # correct ring bond data
199: ok 10758 # correct ring bond data
199: ok 10759 # correct ring bond data
199: ok 10760 # correct ring bond data
199: ok 10761 # SSSR size matches reference
199: ok 10762 # correct SSSR count
199: ok 10763 # ring membership passed
199: ok 10764 # correct SSSR count
199: ok 10765 # ring membership passed
199: ok 10766 # correct SSSR count
199: ok 10767 # ring membership passed
199: ok 10768 # correct SSSR count
199: ok 10769 # ring membership passed
199: ok 10770 # correct SSSR count
199: ok 10771 # ring membership passed
199: ok 10772 # correct SSSR count
199: ok 10773 # ring membership passed
199: ok 10774 # correct SSSR count
199: ok 10775 # ring membership passed
199: ok 10776 # correct SSSR count
199: ok 10777 # ring membership passed
199: ok 10778 # correct SSSR count
199: ok 10779 # ring membership passed
199: ok 10780 # correct SSSR count
199: ok 10781 # ring membership passed
199: ok 10782 # correct SSSR count
199: ok 10783 # ring membership passed
199: ok 10784 # correct SSSR count
199: ok 10785 # ring membership passed
199: ok 10786 # correct SSSR count
199: ok 10787 # ring membership passed
199: ok 10788 # correct SSSR count
199: ok 10789 # ring membership passed
199: ok 10790 # correct SSSR count
199: ok 10791 # ring membership passed
199: ok 10792 # correct ring bond data
199: ok 10793 # correct ring bond data
199: ok 10794 # correct ring bond data
199: ok 10795 # correct ring bond data
199: ok 10796 # correct ring bond data
199: ok 10797 # correct ring bond data
199: ok 10798 # correct ring bond data
199: ok 10799 # correct ring bond data
199: ok 10800 # correct ring bond data
199: ok 10801 # correct ring bond data
199: ok 10802 # correct ring bond data
199: ok 10803 # correct ring bond data
199: ok 10804 # correct ring bond data
199: ok 10805 # correct ring bond data
199: ok 10806 # correct ring bond data
199: ok 10807 # SSSR size matches reference
199: ok 10808 # correct SSSR count
199: ok 10809 # ring membership passed
199: ok 10810 # correct SSSR count
199: ok 10811 # ring membership passed
199: ok 10812 # correct SSSR count
199: ok 10813 # ring membership passed
199: ok 10814 # correct SSSR count
199: ok 10815 # ring membership passed
199: ok 10816 # correct SSSR count
199: ok 10817 # ring membership passed
199: ok 10818 # correct SSSR count
199: ok 10819 # ring membership passed
199: ok 10820 # correct SSSR count
199: ok 10821 # ring membership passed
199: ok 10822 # correct SSSR count
199: ok 10823 # ring membership passed
199: ok 10824 # correct SSSR count
199: ok 10825 # ring membership passed
199: ok 10826 # correct SSSR count
199: ok 10827 # ring membership passed
199: ok 10828 # correct SSSR count
199: ok 10829 # ring membership passed
199: ok 10830 # correct SSSR count
199: ok 10831 # ring membership passed
199: ok 10832 # correct SSSR count
199: ok 10833 # ring membership passed
199: ok 10834 # correct SSSR count
199: ok 10835 # ring membership passed
199: ok 10836 # correct ring bond data
199: ok 10837 # correct ring bond data
199: ok 10838 # correct ring bond data
199: ok 10839 # correct ring bond data
199: ok 10840 # correct ring bond data
199: ok 10841 # correct ring bond data
199: ok 10842 # correct ring bond data
199: ok 10843 # correct ring bond data
199: ok 10844 # correct ring bond data
199: ok 10845 # correct ring bond data
199: ok 10846 # correct ring bond data
199: ok 10847 # correct ring bond data
199: ok 10848 # correct ring bond data
199: ok 10849 # correct ring bond data
199: ok 10850 # correct ring bond data
199: ok 10851 # correct ring bond data
199: ok 10852 # SSSR size matches reference
199: ok 10853 # correct SSSR count
199: ok 10854 # ring membership passed
199: ok 10855 # correct SSSR count
199: ok 10856 # ring membership passed
199: ok 10857 # correct SSSR count
199: ok 10858 # ring membership passed
199: ok 10859 # correct SSSR count
199: ok 10860 # ring membership passed
199: ok 10861 # correct SSSR count
199: ok 10862 # ring membership passed
199: ok 10863 # correct SSSR count
199: ok 10864 # ring membership passed
199: ok 10865 # correct SSSR count
199: ok 10866 # ring membership passed
199: ok 10867 # correct SSSR count
199: ok 10868 # ring membership passed
199: ok 10869 # correct SSSR count
199: ok 10870 # ring membership passed
199: ok 10871 # correct SSSR count
199: ok 10872 # ring membership passed
199: ok 10873 # correct SSSR count
199: ok 10874 # ring membership passed
199: ok 10875 # correct SSSR count
199: ok 10876 # ring membership passed
199: ok 10877 # correct SSSR count
199: ok 10878 # ring membership passed
199: ok 10879 # correct SSSR count
199: ok 10880 # ring membership passed
199: ok 10881 # correct SSSR count
199: ok 10882 # ring membership passed
199: ok 10883 # correct ring bond data
199: ok 10884 # correct ring bond data
199: ok 10885 # correct ring bond data
199: ok 10886 # correct ring bond data
199: ok 10887 # correct ring bond data
199: ok 10888 # correct ring bond data
199: ok 10889 # correct ring bond data
199: ok 10890 # correct ring bond data
199: ok 10891 # correct ring bond data
199: ok 10892 # correct ring bond data
199: ok 10893 # correct ring bond data
199: ok 10894 # correct ring bond data
199: ok 10895 # correct ring bond data
199: ok 10896 # correct ring bond data
199: ok 10897 # correct ring bond data
199: ok 10898 # correct ring bond data
199: ok 10899 # correct ring bond data
199: ok 10900 # correct ring bond data
199: ok 10901 # SSSR size matches reference
199: ok 10902 # correct SSSR count
199: ok 10903 # ring membership passed
199: ok 10904 # correct SSSR count
199: ok 10905 # ring membership passed
199: ok 10906 # correct SSSR count
199: ok 10907 # ring membership passed
199: ok 10908 # correct SSSR count
199: ok 10909 # ring membership passed
199: ok 10910 # correct SSSR count
199: ok 10911 # ring membership passed
199: ok 10912 # correct SSSR count
199: ok 10913 # ring membership passed
199: ok 10914 # correct SSSR count
199: ok 10915 # ring membership passed
199: ok 10916 # correct SSSR count
199: ok 10917 # ring membership passed
199: ok 10918 # correct SSSR count
199: ok 10919 # ring membership passed
199: ok 10920 # correct SSSR count
199: ok 10921 # ring membership passed
199: ok 10922 # correct SSSR count
199: ok 10923 # ring membership passed
199: ok 10924 # correct SSSR count
199: ok 10925 # ring membership passed
199: ok 10926 # correct SSSR count
199: ok 10927 # ring membership passed
199: ok 10928 # correct SSSR count
199: ok 10929 # ring membership passed
199: ok 10930 # correct SSSR count
199: ok 10931 # ring membership passed
199: ok 10932 # correct SSSR count
199: ok 10933 # ring membership passed
199: ok 10934 # correct SSSR count
199: ok 10935 # ring membership passed
199: ok 10936 # correct ring bond data
199: ok 10937 # correct ring bond data
199: ok 10938 # correct ring bond data
199: ok 10939 # correct ring bond data
199: ok 10940 # correct ring bond data
199: ok 10941 # correct ring bond data
199: ok 10942 # correct ring bond data
199: ok 10943 # correct ring bond data
199: ok 10944 # correct ring bond data
199: ok 10945 # correct ring bond data
199: ok 10946 # correct ring bond data
199: ok 10947 # correct ring bond data
199: ok 10948 # correct ring bond data
199: ok 10949 # correct ring bond data
199: ok 10950 # correct ring bond data
199: ok 10951 # correct ring bond data
199: ok 10952 # correct ring bond data
199: ok 10953 # correct ring bond data
199: ok 10954 # correct ring bond data
199: ok 10955 # correct ring bond data
199: ok 10956 # correct ring bond data
199: ok 10957 # correct ring bond data
199: ok 10958 # correct ring bond data
199: ok 10959 # correct ring bond data
199: ok 10960 # correct ring bond data
199: ok 10961 # correct ring bond data
199: ok 10962 # correct ring bond data
199: ok 10963 # correct ring bond data
199: ok 10964 # correct ring bond data
199: ok 10965 # correct ring bond data
199: ok 10966 # correct ring bond data
199: ok 10967 # correct ring bond data
199: ok 10968 # correct ring bond data
199: ok 10969 # correct ring bond data
199: ok 10970 # correct ring bond data
199: ok 10971 # correct ring bond data
199: ok 10972 # correct ring bond data
199: ok 10973 # correct ring bond data
199: ok 10974 # SSSR size matches reference
199: ok 10975 # correct SSSR count
199: ok 10976 # ring membership passed
199: ok 10977 # correct SSSR count
199: ok 10978 # ring membership passed
199: ok 10979 # correct SSSR count
199: ok 10980 # ring membership passed
199: ok 10981 # correct SSSR count
199: ok 10982 # ring membership passed
199: ok 10983 # correct SSSR count
199: ok 10984 # ring membership passed
199: ok 10985 # correct SSSR count
199: ok 10986 # ring membership passed
199: ok 10987 # correct SSSR count
199: ok 10988 # ring membership passed
199: ok 10989 # correct SSSR count
199: ok 10990 # ring membership passed
199: ok 10991 # correct SSSR count
199: ok 10992 # ring membership passed
199: ok 10993 # correct SSSR count
199: ok 10994 # ring membership passed
199: ok 10995 # correct SSSR count
199: ok 10996 # ring membership passed
199: ok 10997 # correct SSSR count
199: ok 10998 # ring membership passed
199: ok 10999 # correct SSSR count
199: ok 11000 # ring membership passed
199: ok 11001 # correct SSSR count
199: ok 11002 # ring membership passed
199: ok 11003 # correct SSSR count
199: ok 11004 # ring membership passed
199: ok 11005 # correct SSSR count
199: ok 11006 # ring membership passed
199: ok 11007 # correct SSSR count
199: ok 11008 # ring membership passed
199: ok 11009 # correct SSSR count
199: ok 11010 # ring membership passed
199: ok 11011 # correct SSSR count
199: ok 11012 # ring membership passed
199: ok 11013 # correct SSSR count
199: ok 11014 # ring membership passed
199: ok 11015 # correct SSSR count
199: ok 11016 # ring membership passed
199: ok 11017 # correct SSSR count
199: ok 11018 # ring membership passed
199: ok 11019 # correct SSSR count
199: ok 11020 # ring membership passed
199: ok 11021 # correct SSSR count
199: ok 11022 # ring membership passed
199: ok 11023 # correct SSSR count
199: ok 11024 # ring membership passed
199: ok 11025 # correct SSSR count
199: ok 11026 # ring membership passed
199: ok 11027 # correct SSSR count
199: ok 11028 # ring membership passed
199: ok 11029 # correct SSSR count
199: ok 11030 # ring membership passed
199: ok 11031 # correct SSSR count
199: ok 11032 # ring membership passed
199: ok 11033 # correct SSSR count
199: ok 11034 # ring membership passed
199: ok 11035 # correct SSSR count
199: ok 11036 # ring membership passed
199: ok 11037 # correct SSSR count
199: ok 11038 # ring membership passed
199: ok 11039 # correct SSSR count
199: ok 11040 # ring membership passed
199: ok 11041 # correct SSSR count
199: ok 11042 # ring membership passed
199: ok 11043 # correct SSSR count
199: ok 11044 # ring membership passed
199: ok 11045 # correct SSSR count
199: ok 11046 # ring membership passed
199: ok 11047 # correct ring bond data
199: ok 11048 # correct ring bond data
199: ok 11049 # correct ring bond data
199: ok 11050 # correct ring bond data
199: ok 11051 # correct ring bond data
199: ok 11052 # correct ring bond data
199: ok 11053 # correct ring bond data
199: ok 11054 # correct ring bond data
199: ok 11055 # correct ring bond data
199: ok 11056 # correct ring bond data
199: ok 11057 # correct ring bond data
199: ok 11058 # correct ring bond data
199: ok 11059 # correct ring bond data
199: ok 11060 # correct ring bond data
199: ok 11061 # correct ring bond data
199: ok 11062 # SSSR size matches reference
199: ok 11063 # correct SSSR count
199: ok 11064 # ring membership passed
199: ok 11065 # correct SSSR count
199: ok 11066 # ring membership passed
199: ok 11067 # correct SSSR count
199: ok 11068 # ring membership passed
199: ok 11069 # correct SSSR count
199: ok 11070 # ring membership passed
199: ok 11071 # correct SSSR count
199: ok 11072 # ring membership passed
199: ok 11073 # correct SSSR count
199: ok 11074 # ring membership passed
199: ok 11075 # correct SSSR count
199: ok 11076 # ring membership passed
199: ok 11077 # correct SSSR count
199: ok 11078 # ring membership passed
199: ok 11079 # correct SSSR count
199: ok 11080 # ring membership passed
199: ok 11081 # correct SSSR count
199: ok 11082 # ring membership passed
199: ok 11083 # correct SSSR count
199: ok 11084 # ring membership passed
199: ok 11085 # correct SSSR count
199: ok 11086 # ring membership passed
199: ok 11087 # correct SSSR count
199: ok 11088 # ring membership passed
199: ok 11089 # correct SSSR count
199: ok 11090 # ring membership passed
199: ok 11091 # correct ring bond data
199: ok 11092 # correct ring bond data
199: ok 11093 # correct ring bond data
199: ok 11094 # correct ring bond data
199: ok 11095 # correct ring bond data
199: ok 11096 # correct ring bond data
199: ok 11097 # correct ring bond data
199: ok 11098 # correct ring bond data
199: ok 11099 # correct ring bond data
199: ok 11100 # correct ring bond data
199: ok 11101 # correct ring bond data
199: ok 11102 # correct ring bond data
199: ok 11103 # correct ring bond data
199: ok 11104 # correct ring bond data
199: ok 11105 # correct ring bond data
199: ok 11106 # correct ring bond data
199: ok 11107 # correct ring bond data
199: ok 11108 # correct ring bond data
199: ok 11109 # correct ring bond data
199: ok 11110 # correct ring bond data
199: ok 11111 # correct ring bond data
199: ok 11112 # correct ring bond data
199: ok 11113 # correct ring bond data
199: ok 11114 # correct ring bond data
199: ok 11115 # correct ring bond data
199: ok 11116 # SSSR size matches reference
199: ok 11117 # correct SSSR count
199: ok 11118 # ring membership passed
199: ok 11119 # correct SSSR count
199: ok 11120 # ring membership passed
199: ok 11121 # correct SSSR count
199: ok 11122 # ring membership passed
199: ok 11123 # correct SSSR count
199: ok 11124 # ring membership passed
199: ok 11125 # correct SSSR count
199: ok 11126 # ring membership passed
199: ok 11127 # correct SSSR count
199: ok 11128 # ring membership passed
199: ok 11129 # correct SSSR count
199: ok 11130 # ring membership passed
199: ok 11131 # correct SSSR count
199: ok 11132 # ring membership passed
199: ok 11133 # correct SSSR count
199: ok 11134 # ring membership passed
199: ok 11135 # correct SSSR count
199: ok 11136 # ring membership passed
199: ok 11137 # correct SSSR count
199: ok 11138 # ring membership passed
199: ok 11139 # correct SSSR count
199: ok 11140 # ring membership passed
199: ok 11141 # correct SSSR count
199: ok 11142 # ring membership passed
199: ok 11143 # correct SSSR count
199: ok 11144 # ring membership passed
199: ok 11145 # correct SSSR count
199: ok 11146 # ring membership passed
199: ok 11147 # correct SSSR count
199: ok 11148 # ring membership passed
199: ok 11149 # correct SSSR count
199: ok 11150 # ring membership passed
199: ok 11151 # correct SSSR count
199: ok 11152 # ring membership passed
199: ok 11153 # correct SSSR count
199: ok 11154 # ring membership passed
199: ok 11155 # correct SSSR count
199: ok 11156 # ring membership passed
199: ok 11157 # correct SSSR count
199: ok 11158 # ring membership passed
199: ok 11159 # correct SSSR count
199: ok 11160 # ring membership passed
199: ok 11161 # correct SSSR count
199: ok 11162 # ring membership passed
199: ok 11163 # correct ring bond data
199: ok 11164 # correct ring bond data
199: ok 11165 # correct ring bond data
199: ok 11166 # correct ring bond data
199: ok 11167 # correct ring bond data
199: ok 11168 # correct ring bond data
199: ok 11169 # correct ring bond data
199: ok 11170 # correct ring bond data
199: ok 11171 # correct ring bond data
199: ok 11172 # correct ring bond data
199: ok 11173 # correct ring bond data
199: ok 11174 # correct ring bond data
199: ok 11175 # correct ring bond data
199: ok 11176 # correct ring bond data
199: ok 11177 # correct ring bond data
199: ok 11178 # correct ring bond data
199: ok 11179 # correct ring bond data
199: ok 11180 # correct ring bond data
199: ok 11181 # correct ring bond data
199: ok 11182 # correct ring bond data
199: ok 11183 # SSSR size matches reference
199: ok 11184 # correct SSSR count
199: ok 11185 # ring membership passed
199: ok 11186 # correct SSSR count
199: ok 11187 # ring membership passed
199: ok 11188 # correct SSSR count
199: ok 11189 # ring membership passed
199: ok 11190 # correct SSSR count
199: ok 11191 # ring membership passed
199: ok 11192 # correct SSSR count
199: ok 11193 # ring membership passed
199: ok 11194 # correct SSSR count
199: ok 11195 # ring membership passed
199: ok 11196 # correct SSSR count
199: ok 11197 # ring membership passed
199: ok 11198 # correct SSSR count
199: ok 11199 # ring membership passed
199: ok 11200 # correct SSSR count
199: ok 11201 # ring membership passed
199: ok 11202 # correct SSSR count
199: ok 11203 # ring membership passed
199: ok 11204 # correct SSSR count
199: ok 11205 # ring membership passed
199: ok 11206 # correct SSSR count
199: ok 11207 # ring membership passed
199: ok 11208 # correct SSSR count
199: ok 11209 # ring membership passed
199: ok 11210 # correct SSSR count
199: ok 11211 # ring membership passed
199: ok 11212 # correct SSSR count
199: ok 11213 # ring membership passed
199: ok 11214 # correct SSSR count
199: ok 11215 # ring membership passed
199: ok 11216 # correct SSSR count
199: ok 11217 # ring membership passed
199: ok 11218 # correct SSSR count
199: ok 11219 # ring membership passed
199: ok 11220 # correct ring bond data
199: ok 11221 # correct ring bond data
199: ok 11222 # correct ring bond data
199: ok 11223 # correct ring bond data
199: ok 11224 # correct ring bond data
199: ok 11225 # correct ring bond data
199: ok 11226 # correct ring bond data
199: ok 11227 # correct ring bond data
199: ok 11228 # correct ring bond data
199: ok 11229 # correct ring bond data
199: ok 11230 # correct ring bond data
199: ok 11231 # correct ring bond data
199: ok 11232 # correct ring bond data
199: ok 11233 # correct ring bond data
199: ok 11234 # correct ring bond data
199: ok 11235 # correct ring bond data
199: ok 11236 # correct ring bond data
199: ok 11237 # correct ring bond data
199: ok 11238 # correct ring bond data
199: ok 11239 # correct ring bond data
199: ok 11240 # SSSR size matches reference
199: ok 11241 # correct SSSR count
199: ok 11242 # ring membership passed
199: ok 11243 # correct SSSR count
199: ok 11244 # ring membership passed
199: ok 11245 # correct SSSR count
199: ok 11246 # ring membership passed
199: ok 11247 # correct SSSR count
199: ok 11248 # ring membership passed
199: ok 11249 # correct SSSR count
199: ok 11250 # ring membership passed
199: ok 11251 # correct SSSR count
199: ok 11252 # ring membership passed
199: ok 11253 # correct SSSR count
199: ok 11254 # ring membership passed
199: ok 11255 # correct SSSR count
199: ok 11256 # ring membership passed
199: ok 11257 # correct SSSR count
199: ok 11258 # ring membership passed
199: ok 11259 # correct SSSR count
199: ok 11260 # ring membership passed
199: ok 11261 # correct SSSR count
199: ok 11262 # ring membership passed
199: ok 11263 # correct SSSR count
199: ok 11264 # ring membership passed
199: ok 11265 # correct SSSR count
199: ok 11266 # ring membership passed
199: ok 11267 # correct SSSR count
199: ok 11268 # ring membership passed
199: ok 11269 # correct SSSR count
199: ok 11270 # ring membership passed
199: ok 11271 # correct SSSR count
199: ok 11272 # ring membership passed
199: ok 11273 # correct SSSR count
199: ok 11274 # ring membership passed
199: ok 11275 # correct SSSR count
199: ok 11276 # ring membership passed
199: ok 11277 # correct ring bond data
199: ok 11278 # correct ring bond data
199: ok 11279 # correct ring bond data
199: ok 11280 # correct ring bond data
199: ok 11281 # correct ring bond data
199: ok 11282 # correct ring bond data
199: ok 11283 # correct ring bond data
199: ok 11284 # correct ring bond data
199: ok 11285 # correct ring bond data
199: ok 11286 # correct ring bond data
199: ok 11287 # correct ring bond data
199: ok 11288 # correct ring bond data
199: ok 11289 # correct ring bond data
199: ok 11290 # correct ring bond data
199: ok 11291 # correct ring bond data
199: ok 11292 # correct ring bond data
199: ok 11293 # correct ring bond data
199: ok 11294 # SSSR size matches reference
199: ok 11295 # correct SSSR count
199: ok 11296 # ring membership passed
199: ok 11297 # correct SSSR count
199: ok 11298 # ring membership passed
199: ok 11299 # correct SSSR count
199: ok 11300 # ring membership passed
199: ok 11301 # correct SSSR count
199: ok 11302 # ring membership passed
199: ok 11303 # correct SSSR count
199: ok 11304 # ring membership passed
199: ok 11305 # correct SSSR count
199: ok 11306 # ring membership passed
199: ok 11307 # correct SSSR count
199: ok 11308 # ring membership passed
199: ok 11309 # correct SSSR count
199: ok 11310 # ring membership passed
199: ok 11311 # correct SSSR count
199: ok 11312 # ring membership passed
199: ok 11313 # correct SSSR count
199: ok 11314 # ring membership passed
199: ok 11315 # correct SSSR count
199: ok 11316 # ring membership passed
199: ok 11317 # correct SSSR count
199: ok 11318 # ring membership passed
199: ok 11319 # correct SSSR count
199: ok 11320 # ring membership passed
199: ok 11321 # correct SSSR count
199: ok 11322 # ring membership passed
199: ok 11323 # correct SSSR count
199: ok 11324 # ring membership passed
199: ok 11325 # correct SSSR count
199: ok 11326 # ring membership passed
199: ok 11327 # correct SSSR count
199: ok 11328 # ring membership passed
199: ok 11329 # correct ring bond data
199: ok 11330 # correct ring bond data
199: ok 11331 # correct ring bond data
199: ok 11332 # correct ring bond data
199: ok 11333 # correct ring bond data
199: ok 11334 # correct ring bond data
199: ok 11335 # correct ring bond data
199: ok 11336 # correct ring bond data
199: ok 11337 # correct ring bond data
199: ok 11338 # correct ring bond data
199: ok 11339 # correct ring bond data
199: ok 11340 # correct ring bond data
199: ok 11341 # correct ring bond data
199: ok 11342 # correct ring bond data
199: ok 11343 # correct ring bond data
199: ok 11344 # correct ring bond data
199: ok 11345 # correct ring bond data
199: ok 11346 # correct ring bond data
199: ok 11347 # correct ring bond data
199: ok 11348 # correct ring bond data
199: ok 11349 # correct ring bond data
199: ok 11350 # correct ring bond data
199: ok 11351 # correct ring bond data
199: ok 11352 # correct ring bond data
199: ok 11353 # correct ring bond data
199: ok 11354 # correct ring bond data
199: ok 11355 # correct ring bond data
199: ok 11356 # correct ring bond data
199: ok 11357 # correct ring bond data
199: ok 11358 # correct ring bond data
199: ok 11359 # correct ring bond data
199: ok 11360 # SSSR size matches reference
199: ok 11361 # correct SSSR count
199: ok 11362 # ring membership passed
199: ok 11363 # correct SSSR count
199: ok 11364 # ring membership passed
199: ok 11365 # correct SSSR count
199: ok 11366 # ring membership passed
199: ok 11367 # correct SSSR count
199: ok 11368 # ring membership passed
199: ok 11369 # correct SSSR count
199: ok 11370 # ring membership passed
199: ok 11371 # correct SSSR count
199: ok 11372 # ring membership passed
199: ok 11373 # correct SSSR count
199: ok 11374 # ring membership passed
199: ok 11375 # correct SSSR count
199: ok 11376 # ring membership passed
199: ok 11377 # correct SSSR count
199: ok 11378 # ring membership passed
199: ok 11379 # correct SSSR count
199: ok 11380 # ring membership passed
199: ok 11381 # correct SSSR count
199: ok 11382 # ring membership passed
199: ok 11383 # correct SSSR count
199: ok 11384 # ring membership passed
199: ok 11385 # correct SSSR count
199: ok 11386 # ring membership passed
199: ok 11387 # correct SSSR count
199: ok 11388 # ring membership passed
199: ok 11389 # correct SSSR count
199: ok 11390 # ring membership passed
199: ok 11391 # correct SSSR count
199: ok 11392 # ring membership passed
199: ok 11393 # correct SSSR count
199: ok 11394 # ring membership passed
199: ok 11395 # correct SSSR count
199: ok 11396 # ring membership passed
199: ok 11397 # correct SSSR count
199: ok 11398 # ring membership passed
199: ok 11399 # correct SSSR count
199: ok 11400 # ring membership passed
199: ok 11401 # correct SSSR count
199: ok 11402 # ring membership passed
199: ok 11403 # correct SSSR count
199: ok 11404 # ring membership passed
199: ok 11405 # correct SSSR count
199: ok 11406 # ring membership passed
199: ok 11407 # correct SSSR count
199: ok 11408 # ring membership passed
199: ok 11409 # correct SSSR count
199: ok 11410 # ring membership passed
199: ok 11411 # correct SSSR count
199: ok 11412 # ring membership passed
199: ok 11413 # correct SSSR count
199: ok 11414 # ring membership passed
199: ok 11415 # correct SSSR count
199: ok 11416 # ring membership passed
199: ok 11417 # correct SSSR count
199: ok 11418 # ring membership passed
199: ok 11419 # correct ring bond data
199: ok 11420 # correct ring bond data
199: ok 11421 # correct ring bond data
199: ok 11422 # correct ring bond data
199: ok 11423 # correct ring bond data
199: ok 11424 # correct ring bond data
199: ok 11425 # correct ring bond data
199: ok 11426 # correct ring bond data
199: ok 11427 # correct ring bond data
199: ok 11428 # correct ring bond data
199: ok 11429 # correct ring bond data
199: ok 11430 # correct ring bond data
199: ok 11431 # correct ring bond data
199: ok 11432 # correct ring bond data
199: ok 11433 # correct ring bond data
199: ok 11434 # correct ring bond data
199: ok 11435 # correct ring bond data
199: ok 11436 # correct ring bond data
199: ok 11437 # correct ring bond data
199: ok 11438 # SSSR size matches reference
199: ok 11439 # correct SSSR count
199: ok 11440 # ring membership passed
199: ok 11441 # correct SSSR count
199: ok 11442 # ring membership passed
199: ok 11443 # correct SSSR count
199: ok 11444 # ring membership passed
199: ok 11445 # correct SSSR count
199: ok 11446 # ring membership passed
199: ok 11447 # correct SSSR count
199: ok 11448 # ring membership passed
199: ok 11449 # correct SSSR count
199: ok 11450 # ring membership passed
199: ok 11451 # correct SSSR count
199: ok 11452 # ring membership passed
199: ok 11453 # correct SSSR count
199: ok 11454 # ring membership passed
199: ok 11455 # correct SSSR count
199: ok 11456 # ring membership passed
199: ok 11457 # correct SSSR count
199: ok 11458 # ring membership passed
199: ok 11459 # correct SSSR count
199: ok 11460 # ring membership passed
199: ok 11461 # correct SSSR count
199: ok 11462 # ring membership passed
199: ok 11463 # correct SSSR count
199: ok 11464 # ring membership passed
199: ok 11465 # correct SSSR count
199: ok 11466 # ring membership passed
199: ok 11467 # correct SSSR count
199: ok 11468 # ring membership passed
199: ok 11469 # correct SSSR count
199: ok 11470 # ring membership passed
199: ok 11471 # correct SSSR count
199: ok 11472 # ring membership passed
199: ok 11473 # correct SSSR count
199: ok 11474 # ring membership passed
199: ok 11475 # correct ring bond data
199: ok 11476 # correct ring bond data
199: ok 11477 # correct ring bond data
199: ok 11478 # correct ring bond data
199: ok 11479 # correct ring bond data
199: ok 11480 # correct ring bond data
199: ok 11481 # correct ring bond data
199: ok 11482 # correct ring bond data
199: ok 11483 # correct ring bond data
199: ok 11484 # correct ring bond data
199: ok 11485 # correct ring bond data
199: ok 11486 # correct ring bond data
199: ok 11487 # correct ring bond data
199: ok 11488 # correct ring bond data
199: ok 11489 # correct ring bond data
199: ok 11490 # correct ring bond data
199: ok 11491 # correct ring bond data
199: ok 11492 # correct ring bond data
199: ok 11493 # correct ring bond data
199: ok 11494 # correct ring bond data
199: ok 11495 # SSSR size matches reference
199: ok 11496 # correct SSSR count
199: ok 11497 # ring membership passed
199: ok 11498 # correct SSSR count
199: ok 11499 # ring membership passed
199: ok 11500 # correct SSSR count
199: ok 11501 # ring membership passed
199: ok 11502 # correct SSSR count
199: ok 11503 # ring membership passed
199: ok 11504 # correct SSSR count
199: ok 11505 # ring membership passed
199: ok 11506 # correct SSSR count
199: ok 11507 # ring membership passed
199: ok 11508 # correct SSSR count
199: ok 11509 # ring membership passed
199: ok 11510 # correct SSSR count
199: ok 11511 # ring membership passed
199: ok 11512 # correct SSSR count
199: ok 11513 # ring membership passed
199: ok 11514 # correct SSSR count
199: ok 11515 # ring membership passed
199: ok 11516 # correct SSSR count
199: ok 11517 # ring membership passed
199: ok 11518 # correct SSSR count
199: ok 11519 # ring membership passed
199: ok 11520 # correct SSSR count
199: ok 11521 # ring membership passed
199: ok 11522 # correct SSSR count
199: ok 11523 # ring membership passed
199: ok 11524 # correct SSSR count
199: ok 11525 # ring membership passed
199: ok 11526 # correct SSSR count
199: ok 11527 # ring membership passed
199: ok 11528 # correct SSSR count
199: ok 11529 # ring membership passed
199: ok 11530 # correct SSSR count
199: ok 11531 # ring membership passed
199: ok 11532 # correct SSSR count
199: ok 11533 # ring membership passed
199: ok 11534 # correct ring bond data
199: ok 11535 # correct ring bond data
199: ok 11536 # correct ring bond data
199: ok 11537 # correct ring bond data
199: ok 11538 # correct ring bond data
199: ok 11539 # correct ring bond data
199: ok 11540 # correct ring bond data
199: ok 11541 # correct ring bond data
199: ok 11542 # correct ring bond data
199: ok 11543 # correct ring bond data
199: ok 11544 # correct ring bond data
199: ok 11545 # correct ring bond data
199: ok 11546 # correct ring bond data
199: ok 11547 # correct ring bond data
199: ok 11548 # correct ring bond data
199: ok 11549 # correct ring bond data
199: ok 11550 # correct ring bond data
199: ok 11551 # correct ring bond data
199: ok 11552 # correct ring bond data
199: ok 11553 # correct ring bond data
199: ok 11554 # correct ring bond data
199: ok 11555 # SSSR size matches reference
199: ok 11556 # correct SSSR count
199: ok 11557 # ring membership passed
199: ok 11558 # correct SSSR count
199: ok 11559 # ring membership passed
199: ok 11560 # correct SSSR count
199: ok 11561 # ring membership passed
199: ok 11562 # correct SSSR count
199: ok 11563 # ring membership passed
199: ok 11564 # correct SSSR count
199: ok 11565 # ring membership passed
199: ok 11566 # correct SSSR count
199: ok 11567 # ring membership passed
199: ok 11568 # correct SSSR count
199: ok 11569 # ring membership passed
199: ok 11570 # correct SSSR count
199: ok 11571 # ring membership passed
199: ok 11572 # correct SSSR count
199: ok 11573 # ring membership passed
199: ok 11574 # correct SSSR count
199: ok 11575 # ring membership passed
199: ok 11576 # correct SSSR count
199: ok 11577 # ring membership passed
199: ok 11578 # correct SSSR count
199: ok 11579 # ring membership passed
199: ok 11580 # correct SSSR count
199: ok 11581 # ring membership passed
199: ok 11582 # correct SSSR count
199: ok 11583 # ring membership passed
199: ok 11584 # correct SSSR count
199: ok 11585 # ring membership passed
199: ok 11586 # correct SSSR count
199: ok 11587 # ring membership passed
199: ok 11588 # correct SSSR count
199: ok 11589 # ring membership passed
199: ok 11590 # correct SSSR count
199: ok 11591 # ring membership passed
199: ok 11592 # correct SSSR count
199: ok 11593 # ring membership passed
199: ok 11594 # correct SSSR count
199: ok 11595 # ring membership passed
199: ok 11596 # correct ring bond data
199: ok 11597 # correct ring bond data
199: ok 11598 # correct ring bond data
199: ok 11599 # correct ring bond data
199: ok 11600 # correct ring bond data
199: ok 11601 # correct ring bond data
199: ok 11602 # correct ring bond data
199: ok 11603 # correct ring bond data
199: ok 11604 # correct ring bond data
199: ok 11605 # correct ring bond data
199: ok 11606 # correct ring bond data
199: ok 11607 # correct ring bond data
199: ok 11608 # SSSR size matches reference
199: ok 11609 # correct SSSR count
199: ok 11610 # ring membership passed
199: ok 11611 # correct SSSR count
199: ok 11612 # ring membership passed
199: ok 11613 # correct SSSR count
199: ok 11614 # ring membership passed
199: ok 11615 # correct SSSR count
199: ok 11616 # ring membership passed
199: ok 11617 # correct SSSR count
199: ok 11618 # ring membership passed
199: ok 11619 # correct SSSR count
199: ok 11620 # ring membership passed
199: ok 11621 # correct SSSR count
199: ok 11622 # ring membership passed
199: ok 11623 # correct SSSR count
199: ok 11624 # ring membership passed
199: ok 11625 # correct SSSR count
199: ok 11626 # ring membership passed
199: ok 11627 # correct SSSR count
199: ok 11628 # ring membership passed
199: ok 11629 # correct SSSR count
199: ok 11630 # ring membership passed
199: ok 11631 # correct ring bond data
199: ok 11632 # correct ring bond data
199: ok 11633 # correct ring bond data
199: ok 11634 # correct ring bond data
199: ok 11635 # correct ring bond data
199: ok 11636 # correct ring bond data
199: ok 11637 # correct ring bond data
199: ok 11638 # correct ring bond data
199: ok 11639 # correct ring bond data
199: ok 11640 # correct ring bond data
199: ok 11641 # correct ring bond data
199: ok 11642 # correct ring bond data
199: ok 11643 # correct ring bond data
199: ok 11644 # correct ring bond data
199: ok 11645 # correct ring bond data
199: ok 11646 # correct ring bond data
199: ok 11647 # correct ring bond data
199: ok 11648 # correct ring bond data
199: ok 11649 # correct ring bond data
199: ok 11650 # correct ring bond data
199: ok 11651 # SSSR size matches reference
199: ok 11652 # correct SSSR count
199: ok 11653 # ring membership passed
199: ok 11654 # correct SSSR count
199: ok 11655 # ring membership passed
199: ok 11656 # correct SSSR count
199: ok 11657 # ring membership passed
199: ok 11658 # correct SSSR count
199: ok 11659 # ring membership passed
199: ok 11660 # correct SSSR count
199: ok 11661 # ring membership passed
199: ok 11662 # correct SSSR count
199: ok 11663 # ring membership passed
199: ok 11664 # correct SSSR count
199: ok 11665 # ring membership passed
199: ok 11666 # correct SSSR count
199: ok 11667 # ring membership passed
199: ok 11668 # correct SSSR count
199: ok 11669 # ring membership passed
199: ok 11670 # correct SSSR count
199: ok 11671 # ring membership passed
199: ok 11672 # correct SSSR count
199: ok 11673 # ring membership passed
199: ok 11674 # correct SSSR count
199: ok 11675 # ring membership passed
199: ok 11676 # correct SSSR count
199: ok 11677 # ring membership passed
199: ok 11678 # correct SSSR count
199: ok 11679 # ring membership passed
199: ok 11680 # correct SSSR count
199: ok 11681 # ring membership passed
199: ok 11682 # correct SSSR count
199: ok 11683 # ring membership passed
199: ok 11684 # correct SSSR count
199: ok 11685 # ring membership passed
199: ok 11686 # correct SSSR count
199: ok 11687 # ring membership passed
199: ok 11688 # correct SSSR count
199: ok 11689 # ring membership passed
199: ok 11690 # correct ring bond data
199: ok 11691 # correct ring bond data
199: ok 11692 # correct ring bond data
199: ok 11693 # correct ring bond data
199: ok 11694 # correct ring bond data
199: ok 11695 # correct ring bond data
199: ok 11696 # correct ring bond data
199: ok 11697 # correct ring bond data
199: ok 11698 # correct ring bond data
199: ok 11699 # correct ring bond data
199: ok 11700 # correct ring bond data
199: ok 11701 # correct ring bond data
199: ok 11702 # correct ring bond data
199: ok 11703 # SSSR size matches reference
199: ok 11704 # correct SSSR count
199: ok 11705 # ring membership passed
199: ok 11706 # correct SSSR count
199: ok 11707 # ring membership passed
199: ok 11708 # correct SSSR count
199: ok 11709 # ring membership passed
199: ok 11710 # correct SSSR count
199: ok 11711 # ring membership passed
199: ok 11712 # correct SSSR count
199: ok 11713 # ring membership passed
199: ok 11714 # correct SSSR count
199: ok 11715 # ring membership passed
199: ok 11716 # correct SSSR count
199: ok 11717 # ring membership passed
199: ok 11718 # correct SSSR count
199: ok 11719 # ring membership passed
199: ok 11720 # correct SSSR count
199: ok 11721 # ring membership passed
199: ok 11722 # correct SSSR count
199: ok 11723 # ring membership passed
199: ok 11724 # correct SSSR count
199: ok 11725 # ring membership passed
199: ok 11726 # correct SSSR count
199: ok 11727 # ring membership passed
199: ok 11728 # correct ring bond data
199: ok 11729 # correct ring bond data
199: ok 11730 # correct ring bond data
199: ok 11731 # correct ring bond data
199: ok 11732 # correct ring bond data
199: ok 11733 # correct ring bond data
199: ok 11734 # correct ring bond data
199: ok 11735 # correct ring bond data
199: ok 11736 # correct ring bond data
199: ok 11737 # correct ring bond data
199: ok 11738 # correct ring bond data
199: ok 11739 # correct ring bond data
199: ok 11740 # correct ring bond data
199: ok 11741 # correct ring bond data
199: ok 11742 # correct ring bond data
199: ok 11743 # correct ring bond data
199: ok 11744 # correct ring bond data
199: ok 11745 # correct ring bond data
199: ok 11746 # correct ring bond data
199: ok 11747 # correct ring bond data
199: ok 11748 # correct ring bond data
199: ok 11749 # correct ring bond data
199: ok 11750 # correct ring bond data
199: ok 11751 # correct ring bond data
199: ok 11752 # correct ring bond data
199: ok 11753 # correct ring bond data
199: ok 11754 # correct ring bond data
199: ok 11755 # correct ring bond data
199: ok 11756 # correct ring bond data
199: ok 11757 # SSSR size matches reference
199: ok 11758 # correct SSSR count
199: ok 11759 # ring membership passed
199: ok 11760 # correct SSSR count
199: ok 11761 # ring membership passed
199: ok 11762 # correct SSSR count
199: ok 11763 # ring membership passed
199: ok 11764 # correct SSSR count
199: ok 11765 # ring membership passed
199: ok 11766 # correct SSSR count
199: ok 11767 # ring membership passed
199: ok 11768 # correct SSSR count
199: ok 11769 # ring membership passed
199: ok 11770 # correct SSSR count
199: ok 11771 # ring membership passed
199: ok 11772 # correct SSSR count
199: ok 11773 # ring membership passed
199: ok 11774 # correct SSSR count
199: ok 11775 # ring membership passed
199: ok 11776 # correct SSSR count
199: ok 11777 # ring membership passed
199: ok 11778 # correct SSSR count
199: ok 11779 # ring membership passed
199: ok 11780 # correct SSSR count
199: ok 11781 # ring membership passed
199: ok 11782 # correct SSSR count
199: ok 11783 # ring membership passed
199: ok 11784 # correct SSSR count
199: ok 11785 # ring membership passed
199: ok 11786 # correct SSSR count
199: ok 11787 # ring membership passed
199: ok 11788 # correct SSSR count
199: ok 11789 # ring membership passed
199: ok 11790 # correct SSSR count
199: ok 11791 # ring membership passed
199: ok 11792 # correct SSSR count
199: ok 11793 # ring membership passed
199: ok 11794 # correct SSSR count
199: ok 11795 # ring membership passed
199: ok 11796 # correct SSSR count
199: ok 11797 # ring membership passed
199: ok 11798 # correct SSSR count
199: ok 11799 # ring membership passed
199: ok 11800 # correct SSSR count
199: ok 11801 # ring membership passed
199: ok 11802 # correct SSSR count
199: ok 11803 # ring membership passed
199: ok 11804 # correct SSSR count
199: ok 11805 # ring membership passed
199: ok 11806 # correct SSSR count
199: ok 11807 # ring membership passed
199: ok 11808 # correct SSSR count
199: ok 11809 # ring membership passed
199: ok 11810 # correct ring bond data
199: ok 11811 # correct ring bond data
199: ok 11812 # correct ring bond data
199: ok 11813 # correct ring bond data
199: ok 11814 # correct ring bond data
199: ok 11815 # correct ring bond data
199: ok 11816 # correct ring bond data
199: ok 11817 # correct ring bond data
199: ok 11818 # correct ring bond data
199: ok 11819 # correct ring bond data
199: ok 11820 # correct ring bond data
199: ok 11821 # correct ring bond data
199: ok 11822 # correct ring bond data
199: ok 11823 # correct ring bond data
199: ok 11824 # correct ring bond data
199: ok 11825 # correct ring bond data
199: ok 11826 # correct ring bond data
199: ok 11827 # correct ring bond data
199: ok 11828 # correct ring bond data
199: ok 11829 # correct ring bond data
199: ok 11830 # correct ring bond data
199: ok 11831 # correct ring bond data
199: ok 11832 # correct ring bond data
199: ok 11833 # correct ring bond data
199: ok 11834 # correct ring bond data
199: ok 11835 # correct ring bond data
199: ok 11836 # correct ring bond data
199: ok 11837 # correct ring bond data
199: ok 11838 # correct ring bond data
199: ok 11839 # correct ring bond data
199: ok 11840 # correct ring bond data
199: ok 11841 # SSSR size matches reference
199: ok 11842 # correct SSSR count
199: ok 11843 # ring membership passed
199: ok 11844 # correct SSSR count
199: ok 11845 # ring membership passed
199: ok 11846 # correct SSSR count
199: ok 11847 # ring membership passed
199: ok 11848 # correct SSSR count
199: ok 11849 # ring membership passed
199: ok 11850 # correct SSSR count
199: ok 11851 # ring membership passed
199: ok 11852 # correct SSSR count
199: ok 11853 # ring membership passed
199: ok 11854 # correct SSSR count
199: ok 11855 # ring membership passed
199: ok 11856 # correct SSSR count
199: ok 11857 # ring membership passed
199: ok 11858 # correct SSSR count
199: ok 11859 # ring membership passed
199: ok 11860 # correct SSSR count
199: ok 11861 # ring membership passed
199: ok 11862 # correct SSSR count
199: ok 11863 # ring membership passed
199: ok 11864 # correct SSSR count
199: ok 11865 # ring membership passed
199: ok 11866 # correct SSSR count
199: ok 11867 # ring membership passed
199: ok 11868 # correct SSSR count
199: ok 11869 # ring membership passed
199: ok 11870 # correct SSSR count
199: ok 11871 # ring membership passed
199: ok 11872 # correct SSSR count
199: ok 11873 # ring membership passed
199: ok 11874 # correct SSSR count
199: ok 11875 # ring membership passed
199: ok 11876 # correct SSSR count
199: ok 11877 # ring membership passed
199: ok 11878 # correct SSSR count
199: ok 11879 # ring membership passed
199: ok 11880 # correct SSSR count
199: ok 11881 # ring membership passed
199: ok 11882 # correct SSSR count
199: ok 11883 # ring membership passed
199: ok 11884 # correct SSSR count
199: ok 11885 # ring membership passed
199: ok 11886 # correct SSSR count
199: ok 11887 # ring membership passed
199: ok 11888 # correct SSSR count
199: ok 11889 # ring membership passed
199: ok 11890 # correct SSSR count
199: ok 11891 # ring membership passed
199: ok 11892 # correct SSSR count
199: ok 11893 # ring membership passed
199: ok 11894 # correct SSSR count
199: ok 11895 # ring membership passed
199: ok 11896 # correct SSSR count
199: ok 11897 # ring membership passed
199: ok 11898 # correct SSSR count
199: ok 11899 # ring membership passed
199: ok 11900 # correct ring bond data
199: ok 11901 # correct ring bond data
199: ok 11902 # correct ring bond data
199: ok 11903 # correct ring bond data
199: ok 11904 # correct ring bond data
199: ok 11905 # correct ring bond data
199: ok 11906 # correct ring bond data
199: ok 11907 # correct ring bond data
199: ok 11908 # correct ring bond data
199: ok 11909 # correct ring bond data
199: ok 11910 # correct ring bond data
199: ok 11911 # correct ring bond data
199: ok 11912 # correct ring bond data
199: ok 11913 # correct ring bond data
199: ok 11914 # correct ring bond data
199: ok 11915 # SSSR size matches reference
199: ok 11916 # correct SSSR count
199: ok 11917 # ring membership passed
199: ok 11918 # correct SSSR count
199: ok 11919 # ring membership passed
199: ok 11920 # correct SSSR count
199: ok 11921 # ring membership passed
199: ok 11922 # correct SSSR count
199: ok 11923 # ring membership passed
199: ok 11924 # correct SSSR count
199: ok 11925 # ring membership passed
199: ok 11926 # correct SSSR count
199: ok 11927 # ring membership passed
199: ok 11928 # correct SSSR count
199: ok 11929 # ring membership passed
199: ok 11930 # correct SSSR count
199: ok 11931 # ring membership passed
199: ok 11932 # correct SSSR count
199: ok 11933 # ring membership passed
199: ok 11934 # correct SSSR count
199: ok 11935 # ring membership passed
199: ok 11936 # correct SSSR count
199: ok 11937 # ring membership passed
199: ok 11938 # correct SSSR count
199: ok 11939 # ring membership passed
199: ok 11940 # correct SSSR count
199: ok 11941 # ring membership passed
199: ok 11942 # correct SSSR count
199: ok 11943 # ring membership passed
199: ok 11944 # correct SSSR count
199: ok 11945 # ring membership passed
199: ok 11946 # correct ring bond data
199: ok 11947 # correct ring bond data
199: ok 11948 # correct ring bond data
199: ok 11949 # correct ring bond data
199: ok 11950 # correct ring bond data
199: ok 11951 # correct ring bond data
199: ok 11952 # correct ring bond data
199: ok 11953 # correct ring bond data
199: ok 11954 # correct ring bond data
199: ok 11955 # correct ring bond data
199: ok 11956 # correct ring bond data
199: ok 11957 # correct ring bond data
199: ok 11958 # correct ring bond data
199: ok 11959 # correct ring bond data
199: ok 11960 # correct ring bond data
199: ok 11961 # correct ring bond data
199: ok 11962 # correct ring bond data
199: ok 11963 # correct ring bond data
199: ok 11964 # correct ring bond data
199: ok 11965 # correct ring bond data
199: ok 11966 # correct ring bond data
199: ok 11967 # correct ring bond data
199: ok 11968 # correct ring bond data
199: ok 11969 # correct ring bond data
199: ok 11970 # correct ring bond data
199: ok 11971 # correct ring bond data
199: ok 11972 # correct ring bond data
199: ok 11973 # correct ring bond data
199: ok 11974 # correct ring bond data
199: ok 11975 # correct ring bond data
199: ok 11976 # correct ring bond data
199: ok 11977 # SSSR size matches reference
199: ok 11978 # correct SSSR count
199: ok 11979 # ring membership passed
199: ok 11980 # correct SSSR count
199: ok 11981 # ring membership passed
199: ok 11982 # correct SSSR count
199: ok 11983 # ring membership passed
199: ok 11984 # correct SSSR count
199: ok 11985 # ring membership passed
199: ok 11986 # correct SSSR count
199: ok 11987 # ring membership passed
199: ok 11988 # correct SSSR count
199: ok 11989 # ring membership passed
199: ok 11990 # correct SSSR count
199: ok 11991 # ring membership passed
199: ok 11992 # correct SSSR count
199: ok 11993 # ring membership passed
199: ok 11994 # correct SSSR count
199: ok 11995 # ring membership passed
199: ok 11996 # correct SSSR count
199: ok 11997 # ring membership passed
199: ok 11998 # correct SSSR count
199: ok 11999 # ring membership passed
199: ok 12000 # correct SSSR count
199: ok 12001 # ring membership passed
199: ok 12002 # correct SSSR count
199: ok 12003 # ring membership passed
199: ok 12004 # correct SSSR count
199: ok 12005 # ring membership passed
199: ok 12006 # correct SSSR count
199: ok 12007 # ring membership passed
199: ok 12008 # correct SSSR count
199: ok 12009 # ring membership passed
199: ok 12010 # correct SSSR count
199: ok 12011 # ring membership passed
199: ok 12012 # correct SSSR count
199: ok 12013 # ring membership passed
199: ok 12014 # correct SSSR count
199: ok 12015 # ring membership passed
199: ok 12016 # correct SSSR count
199: ok 12017 # ring membership passed
199: ok 12018 # correct SSSR count
199: ok 12019 # ring membership passed
199: ok 12020 # correct SSSR count
199: ok 12021 # ring membership passed
199: ok 12022 # correct SSSR count
199: ok 12023 # ring membership passed
199: ok 12024 # correct SSSR count
199: ok 12025 # ring membership passed
199: ok 12026 # correct SSSR count
199: ok 12027 # ring membership passed
199: ok 12028 # correct SSSR count
199: ok 12029 # ring membership passed
199: ok 12030 # correct SSSR count
199: ok 12031 # ring membership passed
199: ok 12032 # correct SSSR count
199: ok 12033 # ring membership passed
199: ok 12034 # correct ring bond data
199: ok 12035 # correct ring bond data
199: ok 12036 # correct ring bond data
199: ok 12037 # correct ring bond data
199: ok 12038 # correct ring bond data
199: ok 12039 # correct ring bond data
199: ok 12040 # correct ring bond data
199: ok 12041 # correct ring bond data
199: ok 12042 # correct ring bond data
199: ok 12043 # correct ring bond data
199: ok 12044 # correct ring bond data
199: ok 12045 # correct ring bond data
199: ok 12046 # correct ring bond data
199: ok 12047 # correct ring bond data
199: ok 12048 # correct ring bond data
199: ok 12049 # correct ring bond data
199: ok 12050 # correct ring bond data
199: ok 12051 # SSSR size matches reference
199: ok 12052 # correct SSSR count
199: ok 12053 # ring membership passed
199: ok 12054 # correct SSSR count
199: ok 12055 # ring membership passed
199: ok 12056 # correct SSSR count
199: ok 12057 # ring membership passed
199: ok 12058 # correct SSSR count
199: ok 12059 # ring membership passed
199: ok 12060 # correct SSSR count
199: ok 12061 # ring membership passed
199: ok 12062 # correct SSSR count
199: ok 12063 # ring membership passed
199: ok 12064 # correct SSSR count
199: ok 12065 # ring membership passed
199: ok 12066 # correct SSSR count
199: ok 12067 # ring membership passed
199: ok 12068 # correct SSSR count
199: ok 12069 # ring membership passed
199: ok 12070 # correct SSSR count
199: ok 12071 # ring membership passed
199: ok 12072 # correct SSSR count
199: ok 12073 # ring membership passed
199: ok 12074 # correct SSSR count
199: ok 12075 # ring membership passed
199: ok 12076 # correct SSSR count
199: ok 12077 # ring membership passed
199: ok 12078 # correct SSSR count
199: ok 12079 # ring membership passed
199: ok 12080 # correct SSSR count
199: ok 12081 # ring membership passed
199: ok 12082 # correct SSSR count
199: ok 12083 # ring membership passed
199: ok 12084 # correct SSSR count
199: ok 12085 # ring membership passed
199: ok 12086 # correct ring bond data
199: ok 12087 # correct ring bond data
199: ok 12088 # correct ring bond data
199: ok 12089 # correct ring bond data
199: ok 12090 # correct ring bond data
199: ok 12091 # correct ring bond data
199: ok 12092 # correct ring bond data
199: ok 12093 # correct ring bond data
199: ok 12094 # correct ring bond data
199: ok 12095 # correct ring bond data
199: ok 12096 # correct ring bond data
199: ok 12097 # correct ring bond data
199: ok 12098 # correct ring bond data
199: ok 12099 # correct ring bond data
199: ok 12100 # correct ring bond data
199: ok 12101 # correct ring bond data
199: ok 12102 # correct ring bond data
199: ok 12103 # correct ring bond data
199: ok 12104 # correct ring bond data
199: ok 12105 # correct ring bond data
199: ok 12106 # correct ring bond data
199: ok 12107 # correct ring bond data
199: ok 12108 # correct ring bond data
199: ok 12109 # correct ring bond data
199: ok 12110 # correct ring bond data
199: ok 12111 # correct ring bond data
199: ok 12112 # SSSR size matches reference
199: ok 12113 # correct SSSR count
199: ok 12114 # ring membership passed
199: ok 12115 # correct SSSR count
199: ok 12116 # ring membership passed
199: ok 12117 # correct SSSR count
199: ok 12118 # ring membership passed
199: ok 12119 # correct SSSR count
199: ok 12120 # ring membership passed
199: ok 12121 # correct SSSR count
199: ok 12122 # ring membership passed
199: ok 12123 # correct SSSR count
199: ok 12124 # ring membership passed
199: ok 12125 # correct SSSR count
199: ok 12126 # ring membership passed
199: ok 12127 # correct SSSR count
199: ok 12128 # ring membership passed
199: ok 12129 # correct SSSR count
199: ok 12130 # ring membership passed
199: ok 12131 # correct SSSR count
199: ok 12132 # ring membership passed
199: ok 12133 # correct SSSR count
199: ok 12134 # ring membership passed
199: ok 12135 # correct SSSR count
199: ok 12136 # ring membership passed
199: ok 12137 # correct SSSR count
199: ok 12138 # ring membership passed
199: ok 12139 # correct SSSR count
199: ok 12140 # ring membership passed
199: ok 12141 # correct SSSR count
199: ok 12142 # ring membership passed
199: ok 12143 # correct SSSR count
199: ok 12144 # ring membership passed
199: ok 12145 # correct SSSR count
199: ok 12146 # ring membership passed
199: ok 12147 # correct SSSR count
199: ok 12148 # ring membership passed
199: ok 12149 # correct SSSR count
199: ok 12150 # ring membership passed
199: ok 12151 # correct SSSR count
199: ok 12152 # ring membership passed
199: ok 12153 # correct SSSR count
199: ok 12154 # ring membership passed
199: ok 12155 # correct SSSR count
199: ok 12156 # ring membership passed
199: ok 12157 # correct SSSR count
199: ok 12158 # ring membership passed
199: ok 12159 # correct SSSR count
199: ok 12160 # ring membership passed
199: ok 12161 # correct ring bond data
199: ok 12162 # correct ring bond data
199: ok 12163 # correct ring bond data
199: ok 12164 # correct ring bond data
199: ok 12165 # correct ring bond data
199: ok 12166 # correct ring bond data
199: ok 12167 # correct ring bond data
199: ok 12168 # correct ring bond data
199: ok 12169 # correct ring bond data
199: ok 12170 # correct ring bond data
199: ok 12171 # correct ring bond data
199: ok 12172 # correct ring bond data
199: ok 12173 # correct ring bond data
199: ok 12174 # correct ring bond data
199: ok 12175 # correct ring bond data
199: ok 12176 # correct ring bond data
199: ok 12177 # correct ring bond data
199: ok 12178 # correct ring bond data
199: ok 12179 # correct ring bond data
199: ok 12180 # correct ring bond data
199: ok 12181 # correct ring bond data
199: ok 12182 # correct ring bond data
199: ok 12183 # correct ring bond data
199: ok 12184 # correct ring bond data
199: ok 12185 # correct ring bond data
199: ok 12186 # correct ring bond data
199: ok 12187 # correct ring bond data
199: ok 12188 # correct ring bond data
199: ok 12189 # SSSR size matches reference
199: ok 12190 # correct SSSR count
199: ok 12191 # ring membership passed
199: ok 12192 # correct SSSR count
199: ok 12193 # ring membership passed
199: ok 12194 # correct SSSR count
199: ok 12195 # ring membership passed
199: ok 12196 # correct SSSR count
199: ok 12197 # ring membership passed
199: ok 12198 # correct SSSR count
199: ok 12199 # ring membership passed
199: ok 12200 # correct SSSR count
199: ok 12201 # ring membership passed
199: ok 12202 # correct SSSR count
199: ok 12203 # ring membership passed
199: ok 12204 # correct SSSR count
199: ok 12205 # ring membership passed
199: ok 12206 # correct SSSR count
199: ok 12207 # ring membership passed
199: ok 12208 # correct SSSR count
199: ok 12209 # ring membership passed
199: ok 12210 # correct SSSR count
199: ok 12211 # ring membership passed
199: ok 12212 # correct SSSR count
199: ok 12213 # ring membership passed
199: ok 12214 # correct SSSR count
199: ok 12215 # ring membership passed
199: ok 12216 # correct SSSR count
199: ok 12217 # ring membership passed
199: ok 12218 # correct SSSR count
199: ok 12219 # ring membership passed
199: ok 12220 # correct SSSR count
199: ok 12221 # ring membership passed
199: ok 12222 # correct SSSR count
199: ok 12223 # ring membership passed
199: ok 12224 # correct SSSR count
199: ok 12225 # ring membership passed
199: ok 12226 # correct SSSR count
199: ok 12227 # ring membership passed
199: ok 12228 # correct SSSR count
199: ok 12229 # ring membership passed
199: ok 12230 # correct SSSR count
199: ok 12231 # ring membership passed
199: ok 12232 # correct SSSR count
199: ok 12233 # ring membership passed
199: ok 12234 # correct SSSR count
199: ok 12235 # ring membership passed
199: ok 12236 # correct SSSR count
199: ok 12237 # ring membership passed
199: ok 12238 # correct SSSR count
199: ok 12239 # ring membership passed
199: ok 12240 # correct SSSR count
199: ok 12241 # ring membership passed
199: ok 12242 # correct ring bond data
199: ok 12243 # correct ring bond data
199: ok 12244 # correct ring bond data
199: ok 12245 # correct ring bond data
199: ok 12246 # correct ring bond data
199: ok 12247 # correct ring bond data
199: ok 12248 # correct ring bond data
199: ok 12249 # correct ring bond data
199: ok 12250 # correct ring bond data
199: ok 12251 # SSSR size matches reference
199: ok 12252 # correct SSSR count
199: ok 12253 # ring membership passed
199: ok 12254 # correct SSSR count
199: ok 12255 # ring membership passed
199: ok 12256 # correct SSSR count
199: ok 12257 # ring membership passed
199: ok 12258 # correct SSSR count
199: ok 12259 # ring membership passed
199: ok 12260 # correct SSSR count
199: ok 12261 # ring membership passed
199: ok 12262 # correct SSSR count
199: ok 12263 # ring membership passed
199: ok 12264 # correct SSSR count
199: ok 12265 # ring membership passed
199: ok 12266 # correct SSSR count
199: ok 12267 # ring membership passed
199: ok 12268 # correct SSSR count
199: ok 12269 # ring membership passed
199: ok 12270 # correct ring bond data
199: ok 12271 # correct ring bond data
199: ok 12272 # correct ring bond data
199: ok 12273 # correct ring bond data
199: ok 12274 # correct ring bond data
199: ok 12275 # correct ring bond data
199: ok 12276 # correct ring bond data
199: ok 12277 # correct ring bond data
199: ok 12278 # correct ring bond data
199: ok 12279 # correct ring bond data
199: ok 12280 # correct ring bond data
199: ok 12281 # correct ring bond data
199: ok 12282 # correct ring bond data
199: ok 12283 # correct ring bond data
199: ok 12284 # correct ring bond data
199: ok 12285 # correct ring bond data
199: ok 12286 # correct ring bond data
199: ok 12287 # correct ring bond data
199: ok 12288 # correct ring bond data
199: ok 12289 # correct ring bond data
199: ok 12290 # correct ring bond data
199: ok 12291 # correct ring bond data
199: ok 12292 # SSSR size matches reference
199: ok 12293 # correct SSSR count
199: ok 12294 # ring membership passed
199: ok 12295 # correct SSSR count
199: ok 12296 # ring membership passed
199: ok 12297 # correct SSSR count
199: ok 12298 # ring membership passed
199: ok 12299 # correct SSSR count
199: ok 12300 # ring membership passed
199: ok 12301 # correct SSSR count
199: ok 12302 # ring membership passed
199: ok 12303 # correct SSSR count
199: ok 12304 # ring membership passed
199: ok 12305 # correct SSSR count
199: ok 12306 # ring membership passed
199: ok 12307 # correct SSSR count
199: ok 12308 # ring membership passed
199: ok 12309 # correct SSSR count
199: ok 12310 # ring membership passed
199: ok 12311 # correct SSSR count
199: ok 12312 # ring membership passed
199: ok 12313 # correct SSSR count
199: ok 12314 # ring membership passed
199: ok 12315 # correct SSSR count
199: ok 12316 # ring membership passed
199: ok 12317 # correct SSSR count
199: ok 12318 # ring membership passed
199: ok 12319 # correct SSSR count
199: ok 12320 # ring membership passed
199: ok 12321 # correct SSSR count
199: ok 12322 # ring membership passed
199: ok 12323 # correct SSSR count
199: ok 12324 # ring membership passed
199: ok 12325 # correct SSSR count
199: ok 12326 # ring membership passed
199: ok 12327 # correct SSSR count
199: ok 12328 # ring membership passed
199: ok 12329 # correct SSSR count
199: ok 12330 # ring membership passed
199: ok 12331 # correct SSSR count
199: ok 12332 # ring membership passed
199: ok 12333 # correct SSSR count
199: ok 12334 # ring membership passed
199: ok 12335 # correct ring bond data
199: ok 12336 # correct ring bond data
199: ok 12337 # correct ring bond data
199: ok 12338 # correct ring bond data
199: ok 12339 # correct ring bond data
199: ok 12340 # correct ring bond data
199: ok 12341 # correct ring bond data
199: ok 12342 # correct ring bond data
199: ok 12343 # correct ring bond data
199: ok 12344 # correct ring bond data
199: ok 12345 # correct ring bond data
199: ok 12346 # correct ring bond data
199: ok 12347 # correct ring bond data
199: ok 12348 # correct ring bond data
199: ok 12349 # correct ring bond data
199: ok 12350 # correct ring bond data
199: ok 12351 # correct ring bond data
199: ok 12352 # correct ring bond data
199: ok 12353 # correct ring bond data
199: ok 12354 # correct ring bond data
199: ok 12355 # correct ring bond data
199: ok 12356 # correct ring bond data
199: ok 12357 # correct ring bond data
199: ok 12358 # correct ring bond data
199: ok 12359 # correct ring bond data
199: ok 12360 # correct ring bond data
199: ok 12361 # SSSR size matches reference
199: ok 12362 # correct SSSR count
199: ok 12363 # ring membership passed
199: ok 12364 # correct SSSR count
199: ok 12365 # ring membership passed
199: ok 12366 # correct SSSR count
199: ok 12367 # ring membership passed
199: ok 12368 # correct SSSR count
199: ok 12369 # ring membership passed
199: ok 12370 # correct SSSR count
199: ok 12371 # ring membership passed
199: ok 12372 # correct SSSR count
199: ok 12373 # ring membership passed
199: ok 12374 # correct SSSR count
199: ok 12375 # ring membership passed
199: ok 12376 # correct SSSR count
199: ok 12377 # ring membership passed
199: ok 12378 # correct SSSR count
199: ok 12379 # ring membership passed
199: ok 12380 # correct SSSR count
199: ok 12381 # ring membership passed
199: ok 12382 # correct SSSR count
199: ok 12383 # ring membership passed
199: ok 12384 # correct SSSR count
199: ok 12385 # ring membership passed
199: ok 12386 # correct SSSR count
199: ok 12387 # ring membership passed
199: ok 12388 # correct SSSR count
199: ok 12389 # ring membership passed
199: ok 12390 # correct SSSR count
199: ok 12391 # ring membership passed
199: ok 12392 # correct SSSR count
199: ok 12393 # ring membership passed
199: ok 12394 # correct SSSR count
199: ok 12395 # ring membership passed
199: ok 12396 # correct SSSR count
199: ok 12397 # ring membership passed
199: ok 12398 # correct SSSR count
199: ok 12399 # ring membership passed
199: ok 12400 # correct SSSR count
199: ok 12401 # ring membership passed
199: ok 12402 # correct SSSR count
199: ok 12403 # ring membership passed
199: ok 12404 # correct SSSR count
199: ok 12405 # ring membership passed
199: ok 12406 # correct SSSR count
199: ok 12407 # ring membership passed
199: ok 12408 # correct SSSR count
199: ok 12409 # ring membership passed
199: ok 12410 # correct SSSR count
199: ok 12411 # ring membership passed
199: ok 12412 # correct ring bond data
199: ok 12413 # correct ring bond data
199: ok 12414 # correct ring bond data
199: ok 12415 # correct ring bond data
199: ok 12416 # correct ring bond data
199: ok 12417 # correct ring bond data
199: ok 12418 # correct ring bond data
199: ok 12419 # correct ring bond data
199: ok 12420 # correct ring bond data
199: ok 12421 # correct ring bond data
199: ok 12422 # correct ring bond data
199: ok 12423 # correct ring bond data
199: ok 12424 # correct ring bond data
199: ok 12425 # correct ring bond data
199: ok 12426 # correct ring bond data
199: ok 12427 # correct ring bond data
199: ok 12428 # correct ring bond data
199: ok 12429 # correct ring bond data
199: ok 12430 # correct ring bond data
199: ok 12431 # correct ring bond data
199: ok 12432 # correct ring bond data
199: ok 12433 # correct ring bond data
199: ok 12434 # correct ring bond data
199: ok 12435 # correct ring bond data
199: ok 12436 # correct ring bond data
199: ok 12437 # correct ring bond data
199: ok 12438 # correct ring bond data
199: ok 12439 # correct ring bond data
199: ok 12440 # correct ring bond data
199: ok 12441 # SSSR size matches reference
199: ok 12442 # correct SSSR count
199: ok 12443 # ring membership passed
199: ok 12444 # correct SSSR count
199: ok 12445 # ring membership passed
199: ok 12446 # correct SSSR count
199: ok 12447 # ring membership passed
199: ok 12448 # correct SSSR count
199: ok 12449 # ring membership passed
199: ok 12450 # correct SSSR count
199: ok 12451 # ring membership passed
199: ok 12452 # correct SSSR count
199: ok 12453 # ring membership passed
199: ok 12454 # correct SSSR count
199: ok 12455 # ring membership passed
199: ok 12456 # correct SSSR count
199: ok 12457 # ring membership passed
199: ok 12458 # correct SSSR count
199: ok 12459 # ring membership passed
199: ok 12460 # correct SSSR count
199: ok 12461 # ring membership passed
199: ok 12462 # correct SSSR count
199: ok 12463 # ring membership passed
199: ok 12464 # correct SSSR count
199: ok 12465 # ring membership passed
199: ok 12466 # correct SSSR count
199: ok 12467 # ring membership passed
199: ok 12468 # correct SSSR count
199: ok 12469 # ring membership passed
199: ok 12470 # correct SSSR count
199: ok 12471 # ring membership passed
199: ok 12472 # correct SSSR count
199: ok 12473 # ring membership passed
199: ok 12474 # correct SSSR count
199: ok 12475 # ring membership passed
199: ok 12476 # correct SSSR count
199: ok 12477 # ring membership passed
199: ok 12478 # correct SSSR count
199: ok 12479 # ring membership passed
199: ok 12480 # correct SSSR count
199: ok 12481 # ring membership passed
199: ok 12482 # correct SSSR count
199: ok 12483 # ring membership passed
199: ok 12484 # correct SSSR count
199: ok 12485 # ring membership passed
199: ok 12486 # correct SSSR count
199: ok 12487 # ring membership passed
199: ok 12488 # correct SSSR count
199: ok 12489 # ring membership passed
199: ok 12490 # correct SSSR count
199: ok 12491 # ring membership passed
199: ok 12492 # correct SSSR count
199: ok 12493 # ring membership passed
199: ok 12494 # correct SSSR count
199: ok 12495 # ring membership passed
199: ok 12496 # correct SSSR count
199: ok 12497 # ring membership passed
199: ok 12498 # correct ring bond data
199: ok 12499 # correct ring bond data
199: ok 12500 # correct ring bond data
199: ok 12501 # correct ring bond data
199: ok 12502 # correct ring bond data
199: ok 12503 # correct ring bond data
199: ok 12504 # correct ring bond data
199: ok 12505 # correct ring bond data
199: ok 12506 # correct ring bond data
199: ok 12507 # correct ring bond data
199: ok 12508 # correct ring bond data
199: ok 12509 # correct ring bond data
199: ok 12510 # correct ring bond data
199: ok 12511 # correct ring bond data
199: ok 12512 # correct ring bond data
199: ok 12513 # correct ring bond data
199: ok 12514 # correct ring bond data
199: ok 12515 # correct ring bond data
199: ok 12516 # correct ring bond data
199: ok 12517 # correct ring bond data
199: ok 12518 # correct ring bond data
199: ok 12519 # correct ring bond data
199: ok 12520 # correct ring bond data
199: ok 12521 # correct ring bond data
199: ok 12522 # SSSR size matches reference
199: ok 12523 # correct SSSR count
199: ok 12524 # ring membership passed
199: ok 12525 # correct SSSR count
199: ok 12526 # ring membership passed
199: ok 12527 # correct SSSR count
199: ok 12528 # ring membership passed
199: ok 12529 # correct SSSR count
199: ok 12530 # ring membership passed
199: ok 12531 # correct SSSR count
199: ok 12532 # ring membership passed
199: ok 12533 # correct SSSR count
199: ok 12534 # ring membership passed
199: ok 12535 # correct SSSR count
199: ok 12536 # ring membership passed
199: ok 12537 # correct SSSR count
199: ok 12538 # ring membership passed
199: ok 12539 # correct SSSR count
199: ok 12540 # ring membership passed
199: ok 12541 # correct SSSR count
199: ok 12542 # ring membership passed
199: ok 12543 # correct SSSR count
199: ok 12544 # ring membership passed
199: ok 12545 # correct SSSR count
199: ok 12546 # ring membership passed
199: ok 12547 # correct SSSR count
199: ok 12548 # ring membership passed
199: ok 12549 # correct SSSR count
199: ok 12550 # ring membership passed
199: ok 12551 # correct SSSR count
199: ok 12552 # ring membership passed
199: ok 12553 # correct SSSR count
199: ok 12554 # ring membership passed
199: ok 12555 # correct SSSR count
199: ok 12556 # ring membership passed
199: ok 12557 # correct SSSR count
199: ok 12558 # ring membership passed
199: ok 12559 # correct SSSR count
199: ok 12560 # ring membership passed
199: ok 12561 # correct SSSR count
199: ok 12562 # ring membership passed
199: ok 12563 # correct SSSR count
199: ok 12564 # ring membership passed
199: ok 12565 # correct SSSR count
199: ok 12566 # ring membership passed
199: ok 12567 # correct SSSR count
199: ok 12568 # ring membership passed
199: ok 12569 # correct ring bond data
199: ok 12570 # correct ring bond data
199: ok 12571 # correct ring bond data
199: ok 12572 # correct ring bond data
199: ok 12573 # correct ring bond data
199: ok 12574 # correct ring bond data
199: ok 12575 # correct ring bond data
199: ok 12576 # correct ring bond data
199: ok 12577 # correct ring bond data
199: ok 12578 # correct ring bond data
199: ok 12579 # correct ring bond data
199: ok 12580 # correct ring bond data
199: ok 12581 # correct ring bond data
199: ok 12582 # correct ring bond data
199: ok 12583 # correct ring bond data
199: ok 12584 # SSSR size matches reference
199: ok 12585 # correct SSSR count
199: ok 12586 # ring membership passed
199: ok 12587 # correct SSSR count
199: ok 12588 # ring membership passed
199: ok 12589 # correct SSSR count
199: ok 12590 # ring membership passed
199: ok 12591 # correct SSSR count
199: ok 12592 # ring membership passed
199: ok 12593 # correct SSSR count
199: ok 12594 # ring membership passed
199: ok 12595 # correct SSSR count
199: ok 12596 # ring membership passed
199: ok 12597 # correct SSSR count
199: ok 12598 # ring membership passed
199: ok 12599 # correct SSSR count
199: ok 12600 # ring membership passed
199: ok 12601 # correct SSSR count
199: ok 12602 # ring membership passed
199: ok 12603 # correct SSSR count
199: ok 12604 # ring membership passed
199: ok 12605 # correct SSSR count
199: ok 12606 # ring membership passed
199: ok 12607 # correct SSSR count
199: ok 12608 # ring membership passed
199: ok 12609 # correct SSSR count
199: ok 12610 # ring membership passed
199: ok 12611 # correct SSSR count
199: ok 12612 # ring membership passed
199: ok 12613 # correct SSSR count
199: ok 12614 # ring membership passed
199: ok 12615 # correct ring bond data
199: ok 12616 # correct ring bond data
199: ok 12617 # correct ring bond data
199: ok 12618 # correct ring bond data
199: ok 12619 # correct ring bond data
199: ok 12620 # correct ring bond data
199: ok 12621 # correct ring bond data
199: ok 12622 # correct ring bond data
199: ok 12623 # correct ring bond data
199: ok 12624 # correct ring bond data
199: ok 12625 # correct ring bond data
199: ok 12626 # correct ring bond data
199: ok 12627 # correct ring bond data
199: ok 12628 # correct ring bond data
199: ok 12629 # correct ring bond data
199: ok 12630 # SSSR size matches reference
199: ok 12631 # correct SSSR count
199: ok 12632 # ring membership passed
199: ok 12633 # correct SSSR count
199: ok 12634 # ring membership passed
199: ok 12635 # correct SSSR count
199: ok 12636 # ring membership passed
199: ok 12637 # correct SSSR count
199: ok 12638 # ring membership passed
199: ok 12639 # correct SSSR count
199: ok 12640 # ring membership passed
199: ok 12641 # correct SSSR count
199: ok 12642 # ring membership passed
199: ok 12643 # correct SSSR count
199: ok 12644 # ring membership passed
199: ok 12645 # correct SSSR count
199: ok 12646 # ring membership passed
199: ok 12647 # correct SSSR count
199: ok 12648 # ring membership passed
199: ok 12649 # correct SSSR count
199: ok 12650 # ring membership passed
199: ok 12651 # correct SSSR count
199: ok 12652 # ring membership passed
199: ok 12653 # correct SSSR count
199: ok 12654 # ring membership passed
199: ok 12655 # correct SSSR count
199: ok 12656 # ring membership passed
199: ok 12657 # correct SSSR count
199: ok 12658 # ring membership passed
199: ok 12659 # correct SSSR count
199: ok 12660 # ring membership passed
199: ok 12661 # correct ring bond data
199: ok 12662 # correct ring bond data
199: ok 12663 # correct ring bond data
199: ok 12664 # correct ring bond data
199: ok 12665 # correct ring bond data
199: ok 12666 # correct ring bond data
199: ok 12667 # correct ring bond data
199: ok 12668 # correct ring bond data
199: ok 12669 # correct ring bond data
199: ok 12670 # correct ring bond data
199: ok 12671 # correct ring bond data
199: ok 12672 # correct ring bond data
199: ok 12673 # correct ring bond data
199: ok 12674 # correct ring bond data
199: ok 12675 # correct ring bond data
199: ok 12676 # correct ring bond data
199: ok 12677 # correct ring bond data
199: ok 12678 # correct ring bond data
199: ok 12679 # SSSR size matches reference
199: ok 12680 # correct SSSR count
199: ok 12681 # ring membership passed
199: ok 12682 # correct SSSR count
199: ok 12683 # ring membership passed
199: ok 12684 # correct SSSR count
199: ok 12685 # ring membership passed
199: ok 12686 # correct SSSR count
199: ok 12687 # ring membership passed
199: ok 12688 # correct SSSR count
199: ok 12689 # ring membership passed
199: ok 12690 # correct SSSR count
199: ok 12691 # ring membership passed
199: ok 12692 # correct SSSR count
199: ok 12693 # ring membership passed
199: ok 12694 # correct SSSR count
199: ok 12695 # ring membership passed
199: ok 12696 # correct SSSR count
199: ok 12697 # ring membership passed
199: ok 12698 # correct SSSR count
199: ok 12699 # ring membership passed
199: ok 12700 # correct SSSR count
199: ok 12701 # ring membership passed
199: ok 12702 # correct SSSR count
199: ok 12703 # ring membership passed
199: ok 12704 # correct SSSR count
199: ok 12705 # ring membership passed
199: ok 12706 # correct SSSR count
199: ok 12707 # ring membership passed
199: ok 12708 # correct SSSR count
199: ok 12709 # ring membership passed
199: ok 12710 # correct SSSR count
199: ok 12711 # ring membership passed
199: ok 12712 # correct SSSR count
199: ok 12713 # ring membership passed
199: ok 12714 # correct ring bond data
199: ok 12715 # correct ring bond data
199: ok 12716 # correct ring bond data
199: ok 12717 # correct ring bond data
199: ok 12718 # correct ring bond data
199: ok 12719 # correct ring bond data
199: ok 12720 # correct ring bond data
199: ok 12721 # correct ring bond data
199: ok 12722 # correct ring bond data
199: ok 12723 # correct ring bond data
199: ok 12724 # correct ring bond data
199: ok 12725 # correct ring bond data
199: ok 12726 # correct ring bond data
199: ok 12727 # correct ring bond data
199: ok 12728 # SSSR size matches reference
199: ok 12729 # correct SSSR count
199: ok 12730 # ring membership passed
199: ok 12731 # correct SSSR count
199: ok 12732 # ring membership passed
199: ok 12733 # correct SSSR count
199: ok 12734 # ring membership passed
199: ok 12735 # correct SSSR count
199: ok 12736 # ring membership passed
199: ok 12737 # correct SSSR count
199: ok 12738 # ring membership passed
199: ok 12739 # correct SSSR count
199: ok 12740 # ring membership passed
199: ok 12741 # correct SSSR count
199: ok 12742 # ring membership passed
199: ok 12743 # correct SSSR count
199: ok 12744 # ring membership passed
199: ok 12745 # correct SSSR count
199: ok 12746 # ring membership passed
199: ok 12747 # correct SSSR count
199: ok 12748 # ring membership passed
199: ok 12749 # correct SSSR count
199: ok 12750 # ring membership passed
199: ok 12751 # correct SSSR count
199: ok 12752 # ring membership passed
199: ok 12753 # correct SSSR count
199: ok 12754 # ring membership passed
199: ok 12755 # correct SSSR count
199: ok 12756 # ring membership passed
199: ok 12757 # correct ring bond data
199: ok 12758 # correct ring bond data
199: ok 12759 # correct ring bond data
199: ok 12760 # correct ring bond data
199: ok 12761 # correct ring bond data
199: ok 12762 # correct ring bond data
199: ok 12763 # correct ring bond data
199: ok 12764 # correct ring bond data
199: ok 12765 # SSSR size matches reference
199: ok 12766 # correct SSSR count
199: ok 12767 # ring membership passed
199: ok 12768 # correct SSSR count
199: ok 12769 # ring membership passed
199: ok 12770 # correct SSSR count
199: ok 12771 # ring membership passed
199: ok 12772 # correct SSSR count
199: ok 12773 # ring membership passed
199: ok 12774 # correct SSSR count
199: ok 12775 # ring membership passed
199: ok 12776 # correct SSSR count
199: ok 12777 # ring membership passed
199: ok 12778 # correct SSSR count
199: ok 12779 # ring membership passed
199: ok 12780 # correct SSSR count
199: ok 12781 # ring membership passed
199: ok 12782 # correct ring bond data
199: ok 12783 # correct ring bond data
199: ok 12784 # correct ring bond data
199: ok 12785 # correct ring bond data
199: ok 12786 # correct ring bond data
199: ok 12787 # correct ring bond data
199: ok 12788 # correct ring bond data
199: ok 12789 # correct ring bond data
199: ok 12790 # correct ring bond data
199: ok 12791 # correct ring bond data
199: ok 12792 # SSSR size matches reference
199: ok 12793 # correct SSSR count
199: ok 12794 # ring membership passed
199: ok 12795 # correct SSSR count
199: ok 12796 # ring membership passed
199: ok 12797 # correct SSSR count
199: ok 12798 # ring membership passed
199: ok 12799 # correct SSSR count
199: ok 12800 # ring membership passed
199: ok 12801 # correct SSSR count
199: ok 12802 # ring membership passed
199: ok 12803 # correct SSSR count
199: ok 12804 # ring membership passed
199: ok 12805 # correct SSSR count
199: ok 12806 # ring membership passed
199: ok 12807 # correct SSSR count
199: ok 12808 # ring membership passed
199: ok 12809 # correct SSSR count
199: ok 12810 # ring membership passed
199: ok 12811 # correct SSSR count
199: ok 12812 # ring membership passed
199: ok 12813 # correct ring bond data
199: ok 12814 # correct ring bond data
199: ok 12815 # correct ring bond data
199: ok 12816 # correct ring bond data
199: ok 12817 # correct ring bond data
199: ok 12818 # correct ring bond data
199: ok 12819 # correct ring bond data
199: ok 12820 # correct ring bond data
199: ok 12821 # correct ring bond data
199: ok 12822 # correct ring bond data
199: ok 12823 # correct ring bond data
199: ok 12824 # correct ring bond data
199: ok 12825 # correct ring bond data
199: ok 12826 # SSSR size matches reference
199: ok 12827 # correct SSSR count
199: ok 12828 # ring membership passed
199: ok 12829 # correct SSSR count
199: ok 12830 # ring membership passed
199: ok 12831 # correct SSSR count
199: ok 12832 # ring membership passed
199: ok 12833 # correct SSSR count
199: ok 12834 # ring membership passed
199: ok 12835 # correct SSSR count
199: ok 12836 # ring membership passed
199: ok 12837 # correct SSSR count
199: ok 12838 # ring membership passed
199: ok 12839 # correct SSSR count
199: ok 12840 # ring membership passed
199: ok 12841 # correct SSSR count
199: ok 12842 # ring membership passed
199: ok 12843 # correct SSSR count
199: ok 12844 # ring membership passed
199: ok 12845 # correct SSSR count
199: ok 12846 # ring membership passed
199: ok 12847 # correct SSSR count
199: ok 12848 # ring membership passed
199: ok 12849 # correct SSSR count
199: ok 12850 # ring membership passed
199: ok 12851 # correct SSSR count
199: ok 12852 # ring membership passed
199: ok 12853 # correct ring bond data
199: ok 12854 # correct ring bond data
199: ok 12855 # correct ring bond data
199: ok 12856 # correct ring bond data
199: ok 12857 # correct ring bond data
199: ok 12858 # correct ring bond data
199: ok 12859 # correct ring bond data
199: ok 12860 # correct ring bond data
199: ok 12861 # correct ring bond data
199: ok 12862 # SSSR size matches reference
199: ok 12863 # correct SSSR count
199: ok 12864 # ring membership passed
199: ok 12865 # correct SSSR count
199: ok 12866 # ring membership passed
199: ok 12867 # correct SSSR count
199: ok 12868 # ring membership passed
199: ok 12869 # correct SSSR count
199: ok 12870 # ring membership passed
199: ok 12871 # correct SSSR count
199: ok 12872 # ring membership passed
199: ok 12873 # correct SSSR count
199: ok 12874 # ring membership passed
199: ok 12875 # correct SSSR count
199: ok 12876 # ring membership passed
199: ok 12877 # correct SSSR count
199: ok 12878 # ring membership passed
199: ok 12879 # correct SSSR count
199: ok 12880 # ring membership passed
199: ok 12881 # correct ring bond data
199: ok 12882 # correct ring bond data
199: ok 12883 # correct ring bond data
199: ok 12884 # correct ring bond data
199: ok 12885 # correct ring bond data
199: ok 12886 # correct ring bond data
199: ok 12887 # correct ring bond data
199: ok 12888 # SSSR size matches reference
199: ok 12889 # correct SSSR count
199: ok 12890 # ring membership passed
199: ok 12891 # correct SSSR count
199: ok 12892 # ring membership passed
199: ok 12893 # correct SSSR count
199: ok 12894 # ring membership passed
199: ok 12895 # correct SSSR count
199: ok 12896 # ring membership passed
199: ok 12897 # correct SSSR count
199: ok 12898 # ring membership passed
199: ok 12899 # correct SSSR count
199: ok 12900 # ring membership passed
199: ok 12901 # correct SSSR count
199: ok 12902 # ring membership passed
199: ok 12903 # correct SSSR count
199: ok 12904 # ring membership passed
199: ok 12905 # correct ring bond data
199: ok 12906 # correct ring bond data
199: ok 12907 # correct ring bond data
199: ok 12908 # correct ring bond data
199: ok 12909 # correct ring bond data
199: ok 12910 # correct ring bond data
199: ok 12911 # correct ring bond data
199: ok 12912 # correct ring bond data
199: ok 12913 # correct ring bond data
199: ok 12914 # SSSR size matches reference
199: ok 12915 # correct SSSR count
199: ok 12916 # ring membership passed
199: ok 12917 # correct SSSR count
199: ok 12918 # ring membership passed
199: ok 12919 # correct SSSR count
199: ok 12920 # ring membership passed
199: ok 12921 # correct SSSR count
199: ok 12922 # ring membership passed
199: ok 12923 # correct SSSR count
199: ok 12924 # ring membership passed
199: ok 12925 # correct SSSR count
199: ok 12926 # ring membership passed
199: ok 12927 # correct SSSR count
199: ok 12928 # ring membership passed
199: ok 12929 # correct SSSR count
199: ok 12930 # ring membership passed
199: ok 12931 # correct SSSR count
199: ok 12932 # ring membership passed
199: ok 12933 # correct SSSR count
199: ok 12934 # ring membership passed
199: ok 12935 # correct ring bond data
199: ok 12936 # correct ring bond data
199: ok 12937 # correct ring bond data
199: ok 12938 # correct ring bond data
199: ok 12939 # correct ring bond data
199: ok 12940 # correct ring bond data
199: ok 12941 # correct ring bond data
199: ok 12942 # correct ring bond data
199: ok 12943 # correct ring bond data
199: ok 12944 # correct ring bond data
199: ok 12945 # correct ring bond data
199: ok 12946 # correct ring bond data
199: ok 12947 # SSSR size matches reference
199: ok 12948 # correct SSSR count
199: ok 12949 # ring membership passed
199: ok 12950 # correct SSSR count
199: ok 12951 # ring membership passed
199: ok 12952 # correct SSSR count
199: ok 12953 # ring membership passed
199: ok 12954 # correct SSSR count
199: ok 12955 # ring membership passed
199: ok 12956 # correct SSSR count
199: ok 12957 # ring membership passed
199: ok 12958 # correct SSSR count
199: ok 12959 # ring membership passed
199: ok 12960 # correct SSSR count
199: ok 12961 # ring membership passed
199: ok 12962 # correct SSSR count
199: ok 12963 # ring membership passed
199: ok 12964 # correct SSSR count
199: ok 12965 # ring membership passed
199: ok 12966 # correct SSSR count
199: ok 12967 # ring membership passed
199: ok 12968 # correct SSSR count
199: ok 12969 # ring membership passed
199: ok 12970 # correct SSSR count
199: ok 12971 # ring membership passed
199: ok 12972 # correct SSSR count
199: ok 12973 # ring membership passed
199: ok 12974 # correct ring bond data
199: ok 12975 # correct ring bond data
199: ok 12976 # correct ring bond data
199: ok 12977 # correct ring bond data
199: ok 12978 # correct ring bond data
199: ok 12979 # correct ring bond data
199: ok 12980 # correct ring bond data
199: ok 12981 # correct ring bond data
199: ok 12982 # correct ring bond data
199: ok 12983 # correct ring bond data
199: ok 12984 # correct ring bond data
199: ok 12985 # correct ring bond data
199: ok 12986 # correct ring bond data
199: ok 12987 # correct ring bond data
199: ok 12988 # correct ring bond data
199: ok 12989 # correct ring bond data
199: ok 12990 # correct ring bond data
199: ok 12991 # correct ring bond data
199: ok 12992 # correct ring bond data
199: ok 12993 # correct ring bond data
199: ok 12994 # correct ring bond data
199: ok 12995 # correct ring bond data
199: ok 12996 # correct ring bond data
199: ok 12997 # SSSR size matches reference
199: ok 12998 # correct SSSR count
199: ok 12999 # ring membership passed
199: ok 13000 # correct SSSR count
199: ok 13001 # ring membership passed
199: ok 13002 # correct SSSR count
199: ok 13003 # ring membership passed
199: ok 13004 # correct SSSR count
199: ok 13005 # ring membership passed
199: ok 13006 # correct SSSR count
199: ok 13007 # ring membership passed
199: ok 13008 # correct SSSR count
199: ok 13009 # ring membership passed
199: ok 13010 # correct SSSR count
199: ok 13011 # ring membership passed
199: ok 13012 # correct SSSR count
199: ok 13013 # ring membership passed
199: ok 13014 # correct SSSR count
199: ok 13015 # ring membership passed
199: ok 13016 # correct SSSR count
199: ok 13017 # ring membership passed
199: ok 13018 # correct SSSR count
199: ok 13019 # ring membership passed
199: ok 13020 # correct SSSR count
199: ok 13021 # ring membership passed
199: ok 13022 # correct SSSR count
199: ok 13023 # ring membership passed
199: ok 13024 # correct SSSR count
199: ok 13025 # ring membership passed
199: ok 13026 # correct SSSR count
199: ok 13027 # ring membership passed
199: ok 13028 # correct SSSR count
199: ok 13029 # ring membership passed
199: ok 13030 # correct SSSR count
199: ok 13031 # ring membership passed
199: ok 13032 # correct SSSR count
199: ok 13033 # ring membership passed
199: ok 13034 # correct SSSR count
199: ok 13035 # ring membership passed
199: ok 13036 # correct SSSR count
199: ok 13037 # ring membership passed
199: ok 13038 # correct SSSR count
199: ok 13039 # ring membership passed
199: ok 13040 # correct ring bond data
199: ok 13041 # correct ring bond data
199: ok 13042 # correct ring bond data
199: ok 13043 # correct ring bond data
199: ok 13044 # correct ring bond data
199: ok 13045 # correct ring bond data
199: ok 13046 # correct ring bond data
199: ok 13047 # correct ring bond data
199: ok 13048 # correct ring bond data
199: ok 13049 # correct ring bond data
199: ok 13050 # correct ring bond data
199: ok 13051 # correct ring bond data
199: ok 13052 # SSSR size matches reference
199: ok 13053 # correct SSSR count
199: ok 13054 # ring membership passed
199: ok 13055 # correct SSSR count
199: ok 13056 # ring membership passed
199: ok 13057 # correct SSSR count
199: ok 13058 # ring membership passed
199: ok 13059 # correct SSSR count
199: ok 13060 # ring membership passed
199: ok 13061 # correct SSSR count
199: ok 13062 # ring membership passed
199: ok 13063 # correct SSSR count
199: ok 13064 # ring membership passed
199: ok 13065 # correct SSSR count
199: ok 13066 # ring membership passed
199: ok 13067 # correct SSSR count
199: ok 13068 # ring membership passed
199: ok 13069 # correct SSSR count
199: ok 13070 # ring membership passed
199: ok 13071 # correct SSSR count
199: ok 13072 # ring membership passed
199: ok 13073 # correct SSSR count
199: ok 13074 # ring membership passed
199: ok 13075 # correct SSSR count
199: ok 13076 # ring membership passed
199: ok 13077 # correct ring bond data
199: ok 13078 # correct ring bond data
199: ok 13079 # correct ring bond data
199: ok 13080 # correct ring bond data
199: ok 13081 # correct ring bond data
199: ok 13082 # correct ring bond data
199: ok 13083 # correct ring bond data
199: ok 13084 # correct ring bond data
199: ok 13085 # correct ring bond data
199: ok 13086 # correct ring bond data
199: ok 13087 # correct ring bond data
199: ok 13088 # correct ring bond data
199: ok 13089 # correct ring bond data
199: ok 13090 # correct ring bond data
199: ok 13091 # correct ring bond data
199: ok 13092 # correct ring bond data
199: ok 13093 # correct ring bond data
199: ok 13094 # correct ring bond data
199: ok 13095 # correct ring bond data
199: ok 13096 # correct ring bond data
199: ok 13097 # correct ring bond data
199: ok 13098 # correct ring bond data
199: ok 13099 # SSSR size matches reference
199: ok 13100 # correct SSSR count
199: ok 13101 # ring membership passed
199: ok 13102 # correct SSSR count
199: ok 13103 # ring membership passed
199: ok 13104 # correct SSSR count
199: ok 13105 # ring membership passed
199: ok 13106 # correct SSSR count
199: ok 13107 # ring membership passed
199: ok 13108 # correct SSSR count
199: ok 13109 # ring membership passed
199: ok 13110 # correct SSSR count
199: ok 13111 # ring membership passed
199: ok 13112 # correct SSSR count
199: ok 13113 # ring membership passed
199: ok 13114 # correct SSSR count
199: ok 13115 # ring membership passed
199: ok 13116 # correct SSSR count
199: ok 13117 # ring membership passed
199: ok 13118 # correct SSSR count
199: ok 13119 # ring membership passed
199: ok 13120 # correct SSSR count
199: ok 13121 # ring membership passed
199: ok 13122 # correct SSSR count
199: ok 13123 # ring membership passed
199: ok 13124 # correct SSSR count
199: ok 13125 # ring membership passed
199: ok 13126 # correct SSSR count
199: ok 13127 # ring membership passed
199: ok 13128 # correct SSSR count
199: ok 13129 # ring membership passed
199: ok 13130 # correct SSSR count
199: ok 13131 # ring membership passed
199: ok 13132 # correct SSSR count
199: ok 13133 # ring membership passed
199: ok 13134 # correct SSSR count
199: ok 13135 # ring membership passed
199: ok 13136 # correct SSSR count
199: ok 13137 # ring membership passed
199: ok 13138 # correct ring bond data
199: ok 13139 # correct ring bond data
199: ok 13140 # correct ring bond data
199: ok 13141 # correct ring bond data
199: ok 13142 # correct ring bond data
199: ok 13143 # correct ring bond data
199: ok 13144 # correct ring bond data
199: ok 13145 # correct ring bond data
199: ok 13146 # correct ring bond data
199: ok 13147 # correct ring bond data
199: ok 13148 # SSSR size matches reference
199: ok 13149 # correct SSSR count
199: ok 13150 # ring membership passed
199: ok 13151 # correct SSSR count
199: ok 13152 # ring membership passed
199: ok 13153 # correct SSSR count
199: ok 13154 # ring membership passed
199: ok 13155 # correct SSSR count
199: ok 13156 # ring membership passed
199: ok 13157 # correct SSSR count
199: ok 13158 # ring membership passed
199: ok 13159 # correct SSSR count
199: ok 13160 # ring membership passed
199: ok 13161 # correct SSSR count
199: ok 13162 # ring membership passed
199: ok 13163 # correct SSSR count
199: ok 13164 # ring membership passed
199: ok 13165 # correct SSSR count
199: ok 13166 # ring membership passed
199: ok 13167 # correct SSSR count
199: ok 13168 # ring membership passed
199: ok 13169 # correct ring bond data
199: ok 13170 # correct ring bond data
199: ok 13171 # correct ring bond data
199: ok 13172 # correct ring bond data
199: ok 13173 # correct ring bond data
199: ok 13174 # correct ring bond data
199: ok 13175 # correct ring bond data
199: ok 13176 # correct ring bond data
199: ok 13177 # correct ring bond data
199: ok 13178 # correct ring bond data
199: ok 13179 # correct ring bond data
199: ok 13180 # correct ring bond data
199: ok 13181 # correct ring bond data
199: ok 13182 # correct ring bond data
199: ok 13183 # correct ring bond data
199: ok 13184 # correct ring bond data
199: ok 13185 # correct ring bond data
199: ok 13186 # correct ring bond data
199: ok 13187 # correct ring bond data
199: ok 13188 # correct ring bond data
199: ok 13189 # correct ring bond data
199: ok 13190 # correct ring bond data
199: ok 13191 # correct ring bond data
199: ok 13192 # correct ring bond data
199: ok 13193 # correct ring bond data
199: ok 13194 # correct ring bond data
199: ok 13195 # correct ring bond data
199: ok 13196 # correct ring bond data
199: ok 13197 # correct ring bond data
199: ok 13198 # correct ring bond data
199: ok 13199 # correct ring bond data
199: ok 13200 # correct ring bond data
199: ok 13201 # correct ring bond data
199: ok 13202 # correct ring bond data
199: ok 13203 # correct ring bond data
199: ok 13204 # correct ring bond data
199: ok 13205 # correct ring bond data
199: ok 13206 # correct ring bond data
199: ok 13207 # correct ring bond data
199: ok 13208 # correct ring bond data
199: ok 13209 # correct ring bond data
199: ok 13210 # correct ring bond data
199: ok 13211 # correct ring bond data
199: ok 13212 # correct ring bond data
199: ok 13213 # correct ring bond data
199: ok 13214 # correct ring bond data
199: ok 13215 # correct ring bond data
199: ok 13216 # correct ring bond data
199: ok 13217 # correct ring bond data
199: ok 13218 # correct ring bond data
199: ok 13219 # correct ring bond data
199: ok 13220 # correct ring bond data
199: ok 13221 # correct ring bond data
199: ok 13222 # correct ring bond data
199: ok 13223 # correct ring bond data
199: ok 13224 # correct ring bond data
199: ok 13225 # SSSR size matches reference
199: ok 13226 # correct SSSR count
199: ok 13227 # ring membership passed
199: ok 13228 # correct SSSR count
199: ok 13229 # ring membership passed
199: ok 13230 # correct SSSR count
199: ok 13231 # ring membership passed
199: ok 13232 # correct SSSR count
199: ok 13233 # ring membership passed
199: ok 13234 # correct SSSR count
199: ok 13235 # ring membership passed
199: ok 13236 # correct SSSR count
199: ok 13237 # ring membership passed
199: ok 13238 # correct SSSR count
199: ok 13239 # ring membership passed
199: ok 13240 # correct SSSR count
199: ok 13241 # ring membership passed
199: ok 13242 # correct SSSR count
199: ok 13243 # ring membership passed
199: ok 13244 # correct SSSR count
199: ok 13245 # ring membership passed
199: ok 13246 # correct SSSR count
199: ok 13247 # ring membership passed
199: ok 13248 # correct SSSR count
199: ok 13249 # ring membership passed
199: ok 13250 # correct SSSR count
199: ok 13251 # ring membership passed
199: ok 13252 # correct SSSR count
199: ok 13253 # ring membership passed
199: ok 13254 # correct SSSR count
199: ok 13255 # ring membership passed
199: ok 13256 # correct SSSR count
199: ok 13257 # ring membership passed
199: ok 13258 # correct SSSR count
199: ok 13259 # ring membership passed
199: ok 13260 # correct SSSR count
199: ok 13261 # ring membership passed
199: ok 13262 # correct SSSR count
199: ok 13263 # ring membership passed
199: ok 13264 # correct SSSR count
199: ok 13265 # ring membership passed
199: ok 13266 # correct SSSR count
199: ok 13267 # ring membership passed
199: ok 13268 # correct SSSR count
199: ok 13269 # ring membership passed
199: ok 13270 # correct SSSR count
199: ok 13271 # ring membership passed
199: ok 13272 # correct SSSR count
199: ok 13273 # ring membership passed
199: ok 13274 # correct SSSR count
199: ok 13275 # ring membership passed
199: ok 13276 # correct SSSR count
199: ok 13277 # ring membership passed
199: ok 13278 # correct SSSR count
199: ok 13279 # ring membership passed
199: ok 13280 # correct SSSR count
199: ok 13281 # ring membership passed
199: ok 13282 # correct SSSR count
199: ok 13283 # ring membership passed
199: ok 13284 # correct SSSR count
199: ok 13285 # ring membership passed
199: ok 13286 # correct SSSR count
199: ok 13287 # ring membership passed
199: ok 13288 # correct SSSR count
199: ok 13289 # ring membership passed
199: ok 13290 # correct SSSR count
199: ok 13291 # ring membership passed
199: ok 13292 # correct SSSR count
199: ok 13293 # ring membership passed
199: ok 13294 # correct SSSR count
199: ok 13295 # ring membership passed
199: ok 13296 # correct SSSR count
199: ok 13297 # ring membership passed
199: ok 13298 # correct SSSR count
199: ok 13299 # ring membership passed
199: ok 13300 # correct SSSR count
199: ok 13301 # ring membership passed
199: ok 13302 # correct SSSR count
199: ok 13303 # ring membership passed
199: ok 13304 # correct SSSR count
199: ok 13305 # ring membership passed
199: ok 13306 # correct SSSR count
199: ok 13307 # ring membership passed
199: ok 13308 # correct SSSR count
199: ok 13309 # ring membership passed
199: ok 13310 # correct SSSR count
199: ok 13311 # ring membership passed
199: ok 13312 # correct SSSR count
199: ok 13313 # ring membership passed
199: ok 13314 # correct SSSR count
199: ok 13315 # ring membership passed
199: ok 13316 # correct SSSR count
199: ok 13317 # ring membership passed
199: ok 13318 # correct SSSR count
199: ok 13319 # ring membership passed
199: ok 13320 # correct SSSR count
199: ok 13321 # ring membership passed
199: ok 13322 # correct SSSR count
199: ok 13323 # ring membership passed
199: ok 13324 # correct SSSR count
199: ok 13325 # ring membership passed
199: ok 13326 # correct SSSR count
199: ok 13327 # ring membership passed
199: ok 13328 # correct ring bond data
199: ok 13329 # correct ring bond data
199: ok 13330 # correct ring bond data
199: ok 13331 # correct ring bond data
199: ok 13332 # correct ring bond data
199: ok 13333 # correct ring bond data
199: ok 13334 # correct ring bond data
199: ok 13335 # correct ring bond data
199: ok 13336 # correct ring bond data
199: ok 13337 # correct ring bond data
199: ok 13338 # SSSR size matches reference
199: ok 13339 # correct SSSR count
199: ok 13340 # ring membership passed
199: ok 13341 # correct SSSR count
199: ok 13342 # ring membership passed
199: ok 13343 # correct SSSR count
199: ok 13344 # ring membership passed
199: ok 13345 # correct SSSR count
199: ok 13346 # ring membership passed
199: ok 13347 # correct SSSR count
199: ok 13348 # ring membership passed
199: ok 13349 # correct SSSR count
199: ok 13350 # ring membership passed
199: ok 13351 # correct SSSR count
199: ok 13352 # ring membership passed
199: ok 13353 # correct SSSR count
199: ok 13354 # ring membership passed
199: ok 13355 # correct SSSR count
199: ok 13356 # ring membership passed
199: ok 13357 # correct SSSR count
199: ok 13358 # ring membership passed
199: ok 13359 # correct ring bond data
199: ok 13360 # correct ring bond data
199: ok 13361 # correct ring bond data
199: ok 13362 # correct ring bond data
199: ok 13363 # correct ring bond data
199: ok 13364 # correct ring bond data
199: ok 13365 # correct ring bond data
199: ok 13366 # correct ring bond data
199: ok 13367 # correct ring bond data
199: ok 13368 # correct ring bond data
199: ok 13369 # correct ring bond data
199: ok 13370 # correct ring bond data
199: ok 13371 # correct ring bond data
199: ok 13372 # correct ring bond data
199: ok 13373 # correct ring bond data
199: ok 13374 # correct ring bond data
199: ok 13375 # correct ring bond data
199: ok 13376 # correct ring bond data
199: ok 13377 # correct ring bond data
199: ok 13378 # correct ring bond data
199: ok 13379 # correct ring bond data
199: ok 13380 # correct ring bond data
199: ok 13381 # correct ring bond data
199: ok 13382 # correct ring bond data
199: ok 13383 # correct ring bond data
199: ok 13384 # correct ring bond data
199: ok 13385 # correct ring bond data
199: ok 13386 # correct ring bond data
199: ok 13387 # correct ring bond data
199: ok 13388 # correct ring bond data
199: ok 13389 # correct ring bond data
199: ok 13390 # correct ring bond data
199: ok 13391 # correct ring bond data
199: ok 13392 # correct ring bond data
199: ok 13393 # correct ring bond data
199: ok 13394 # correct ring bond data
199: ok 13395 # correct ring bond data
199: ok 13396 # correct ring bond data
199: ok 13397 # correct ring bond data
199: ok 13398 # correct ring bond data
199: ok 13399 # correct ring bond data
199: ok 13400 # correct ring bond data
199: ok 13401 # correct ring bond data
199: ok 13402 # correct ring bond data
199: ok 13403 # SSSR size matches reference
199: ok 13404 # correct SSSR count
199: ok 13405 # ring membership passed
199: ok 13406 # correct SSSR count
199: ok 13407 # ring membership passed
199: ok 13408 # correct SSSR count
199: ok 13409 # ring membership passed
199: ok 13410 # correct SSSR count
199: ok 13411 # ring membership passed
199: ok 13412 # correct SSSR count
199: ok 13413 # ring membership passed
199: ok 13414 # correct SSSR count
199: ok 13415 # ring membership passed
199: ok 13416 # correct SSSR count
199: ok 13417 # ring membership passed
199: ok 13418 # correct SSSR count
199: ok 13419 # ring membership passed
199: ok 13420 # correct SSSR count
199: ok 13421 # ring membership passed
199: ok 13422 # correct SSSR count
199: ok 13423 # ring membership passed
199: ok 13424 # correct SSSR count
199: ok 13425 # ring membership passed
199: ok 13426 # correct SSSR count
199: ok 13427 # ring membership passed
199: ok 13428 # correct SSSR count
199: ok 13429 # ring membership passed
199: ok 13430 # correct SSSR count
199: ok 13431 # ring membership passed
199: ok 13432 # correct SSSR count
199: ok 13433 # ring membership passed
199: ok 13434 # correct SSSR count
199: ok 13435 # ring membership passed
199: ok 13436 # correct SSSR count
199: ok 13437 # ring membership passed
199: ok 13438 # correct SSSR count
199: ok 13439 # ring membership passed
199: ok 13440 # correct SSSR count
199: ok 13441 # ring membership passed
199: ok 13442 # correct SSSR count
199: ok 13443 # ring membership passed
199: ok 13444 # correct SSSR count
199: ok 13445 # ring membership passed
199: ok 13446 # correct SSSR count
199: ok 13447 # ring membership passed
199: ok 13448 # correct SSSR count
199: ok 13449 # ring membership passed
199: ok 13450 # correct SSSR count
199: ok 13451 # ring membership passed
199: ok 13452 # correct SSSR count
199: ok 13453 # ring membership passed
199: ok 13454 # correct SSSR count
199: ok 13455 # ring membership passed
199: ok 13456 # correct SSSR count
199: ok 13457 # ring membership passed
199: ok 13458 # correct SSSR count
199: ok 13459 # ring membership passed
199: ok 13460 # correct SSSR count
199: ok 13461 # ring membership passed
199: ok 13462 # correct SSSR count
199: ok 13463 # ring membership passed
199: ok 13464 # correct SSSR count
199: ok 13465 # ring membership passed
199: ok 13466 # correct SSSR count
199: ok 13467 # ring membership passed
199: ok 13468 # correct SSSR count
199: ok 13469 # ring membership passed
199: ok 13470 # correct SSSR count
199: ok 13471 # ring membership passed
199: ok 13472 # correct SSSR count
199: ok 13473 # ring membership passed
199: ok 13474 # correct SSSR count
199: ok 13475 # ring membership passed
199: ok 13476 # correct SSSR count
199: ok 13477 # ring membership passed
199: ok 13478 # correct SSSR count
199: ok 13479 # ring membership passed
199: ok 13480 # correct SSSR count
199: ok 13481 # ring membership passed
199: ok 13482 # correct SSSR count
199: ok 13483 # ring membership passed
199: ok 13484 # correct SSSR count
199: ok 13485 # ring membership passed
199: ok 13486 # correct ring bond data
199: ok 13487 # correct ring bond data
199: ok 13488 # correct ring bond data
199: ok 13489 # correct ring bond data
199: ok 13490 # correct ring bond data
199: ok 13491 # correct ring bond data
199: ok 13492 # correct ring bond data
199: ok 13493 # correct ring bond data
199: ok 13494 # correct ring bond data
199: ok 13495 # correct ring bond data
199: ok 13496 # correct ring bond data
199: ok 13497 # correct ring bond data
199: ok 13498 # correct ring bond data
199: ok 13499 # correct ring bond data
199: ok 13500 # correct ring bond data
199: ok 13501 # correct ring bond data
199: ok 13502 # correct ring bond data
199: ok 13503 # correct ring bond data
199: ok 13504 # correct ring bond data
199: ok 13505 # correct ring bond data
199: ok 13506 # correct ring bond data
199: ok 13507 # correct ring bond data
199: ok 13508 # correct ring bond data
199: ok 13509 # correct ring bond data
199: ok 13510 # correct ring bond data
199: ok 13511 # correct ring bond data
199: ok 13512 # correct ring bond data
199: ok 13513 # correct ring bond data
199: ok 13514 # correct ring bond data
199: ok 13515 # correct ring bond data
199: ok 13516 # correct ring bond data
199: ok 13517 # correct ring bond data
199: ok 13518 # correct ring bond data
199: ok 13519 # correct ring bond data
199: ok 13520 # correct ring bond data
199: ok 13521 # correct ring bond data
199: ok 13522 # correct ring bond data
199: ok 13523 # correct ring bond data
199: ok 13524 # SSSR size matches reference
199: ok 13525 # correct SSSR count
199: ok 13526 # ring membership passed
199: ok 13527 # correct SSSR count
199: ok 13528 # ring membership passed
199: ok 13529 # correct SSSR count
199: ok 13530 # ring membership passed
199: ok 13531 # correct SSSR count
199: ok 13532 # ring membership passed
199: ok 13533 # correct SSSR count
199: ok 13534 # ring membership passed
199: ok 13535 # correct SSSR count
199: ok 13536 # ring membership passed
199: ok 13537 # correct SSSR count
199: ok 13538 # ring membership passed
199: ok 13539 # correct SSSR count
199: ok 13540 # ring membership passed
199: ok 13541 # correct SSSR count
199: ok 13542 # ring membership passed
199: ok 13543 # correct SSSR count
199: ok 13544 # ring membership passed
199: ok 13545 # correct SSSR count
199: ok 13546 # ring membership passed
199: ok 13547 # correct SSSR count
199: ok 13548 # ring membership passed
199: ok 13549 # correct SSSR count
199: ok 13550 # ring membership passed
199: ok 13551 # correct SSSR count
199: ok 13552 # ring membership passed
199: ok 13553 # correct SSSR count
199: ok 13554 # ring membership passed
199: ok 13555 # correct SSSR count
199: ok 13556 # ring membership passed
199: ok 13557 # correct SSSR count
199: ok 13558 # ring membership passed
199: ok 13559 # correct SSSR count
199: ok 13560 # ring membership passed
199: ok 13561 # correct SSSR count
199: ok 13562 # ring membership passed
199: ok 13563 # correct SSSR count
199: ok 13564 # ring membership passed
199: ok 13565 # correct SSSR count
199: ok 13566 # ring membership passed
199: ok 13567 # correct SSSR count
199: ok 13568 # ring membership passed
199: ok 13569 # correct SSSR count
199: ok 13570 # ring membership passed
199: ok 13571 # correct SSSR count
199: ok 13572 # ring membership passed
199: ok 13573 # correct SSSR count
199: ok 13574 # ring membership passed
199: ok 13575 # correct SSSR count
199: ok 13576 # ring membership passed
199: ok 13577 # correct SSSR count
199: ok 13578 # ring membership passed
199: ok 13579 # correct SSSR count
199: ok 13580 # ring membership passed
199: ok 13581 # correct SSSR count
199: ok 13582 # ring membership passed
199: ok 13583 # correct SSSR count
199: ok 13584 # ring membership passed
199: ok 13585 # correct SSSR count
199: ok 13586 # ring membership passed
199: ok 13587 # correct SSSR count
199: ok 13588 # ring membership passed
199: ok 13589 # correct SSSR count
199: ok 13590 # ring membership passed
199: ok 13591 # correct SSSR count
199: ok 13592 # ring membership passed
199: ok 13593 # correct SSSR count
199: ok 13594 # ring membership passed
199: ok 13595 # correct SSSR count
199: ok 13596 # ring membership passed
199: ok 13597 # correct ring bond data
199: ok 13598 # correct ring bond data
199: ok 13599 # correct ring bond data
199: ok 13600 # correct ring bond data
199: ok 13601 # correct ring bond data
199: ok 13602 # correct ring bond data
199: ok 13603 # correct ring bond data
199: ok 13604 # correct ring bond data
199: ok 13605 # correct ring bond data
199: ok 13606 # correct ring bond data
199: ok 13607 # correct ring bond data
199: ok 13608 # correct ring bond data
199: ok 13609 # correct ring bond data
199: ok 13610 # correct ring bond data
199: ok 13611 # correct ring bond data
199: ok 13612 # correct ring bond data
199: ok 13613 # correct ring bond data
199: ok 13614 # correct ring bond data
199: ok 13615 # correct ring bond data
199: ok 13616 # correct ring bond data
199: ok 13617 # correct ring bond data
199: ok 13618 # correct ring bond data
199: ok 13619 # correct ring bond data
199: ok 13620 # correct ring bond data
199: ok 13621 # correct ring bond data
199: ok 13622 # correct ring bond data
199: ok 13623 # correct ring bond data
199: ok 13624 # correct ring bond data
199: ok 13625 # correct ring bond data
199: ok 13626 # correct ring bond data
199: ok 13627 # correct ring bond data
199: ok 13628 # correct ring bond data
199: ok 13629 # correct ring bond data
199: ok 13630 # correct ring bond data
199: ok 13631 # correct ring bond data
199: ok 13632 # correct ring bond data
199: ok 13633 # correct ring bond data
199: ok 13634 # correct ring bond data
199: ok 13635 # correct ring bond data
199: ok 13636 # correct ring bond data
199: ok 13637 # correct ring bond data
199: ok 13638 # correct ring bond data
199: ok 13639 # correct ring bond data
199: ok 13640 # correct ring bond data
199: ok 13641 # SSSR size matches reference
199: ok 13642 # correct SSSR count
199: ok 13643 # ring membership passed
199: ok 13644 # correct SSSR count
199: ok 13645 # ring membership passed
199: ok 13646 # correct SSSR count
199: ok 13647 # ring membership passed
199: ok 13648 # correct SSSR count
199: ok 13649 # ring membership passed
199: ok 13650 # correct SSSR count
199: ok 13651 # ring membership passed
199: ok 13652 # correct SSSR count
199: ok 13653 # ring membership passed
199: ok 13654 # correct SSSR count
199: ok 13655 # ring membership passed
199: ok 13656 # correct SSSR count
199: ok 13657 # ring membership passed
199: ok 13658 # correct SSSR count
199: ok 13659 # ring membership passed
199: ok 13660 # correct SSSR count
199: ok 13661 # ring membership passed
199: ok 13662 # correct SSSR count
199: ok 13663 # ring membership passed
199: ok 13664 # correct SSSR count
199: ok 13665 # ring membership passed
199: ok 13666 # correct SSSR count
199: ok 13667 # ring membership passed
199: ok 13668 # correct SSSR count
199: ok 13669 # ring membership passed
199: ok 13670 # correct SSSR count
199: ok 13671 # ring membership passed
199: ok 13672 # correct SSSR count
199: ok 13673 # ring membership passed
199: ok 13674 # correct SSSR count
199: ok 13675 # ring membership passed
199: ok 13676 # correct SSSR count
199: ok 13677 # ring membership passed
199: ok 13678 # correct SSSR count
199: ok 13679 # ring membership passed
199: ok 13680 # correct SSSR count
199: ok 13681 # ring membership passed
199: ok 13682 # correct SSSR count
199: ok 13683 # ring membership passed
199: ok 13684 # correct SSSR count
199: ok 13685 # ring membership passed
199: ok 13686 # correct SSSR count
199: ok 13687 # ring membership passed
199: ok 13688 # correct SSSR count
199: ok 13689 # ring membership passed
199: ok 13690 # correct SSSR count
199: ok 13691 # ring membership passed
199: ok 13692 # correct SSSR count
199: ok 13693 # ring membership passed
199: ok 13694 # correct SSSR count
199: ok 13695 # ring membership passed
199: ok 13696 # correct SSSR count
199: ok 13697 # ring membership passed
199: ok 13698 # correct SSSR count
199: ok 13699 # ring membership passed
199: ok 13700 # correct SSSR count
199: ok 13701 # ring membership passed
199: ok 13702 # correct SSSR count
199: ok 13703 # ring membership passed
199: ok 13704 # correct SSSR count
199: ok 13705 # ring membership passed
199: ok 13706 # correct SSSR count
199: ok 13707 # ring membership passed
199: ok 13708 # correct SSSR count
199: ok 13709 # ring membership passed
199: ok 13710 # correct SSSR count
199: ok 13711 # ring membership passed
199: ok 13712 # correct SSSR count
199: ok 13713 # ring membership passed
199: ok 13714 # correct SSSR count
199: ok 13715 # ring membership passed
199: ok 13716 # correct SSSR count
199: ok 13717 # ring membership passed
199: ok 13718 # correct SSSR count
199: ok 13719 # ring membership passed
199: ok 13720 # correct SSSR count
199: ok 13721 # ring membership passed
199: ok 13722 # correct ring bond data
199: ok 13723 # correct ring bond data
199: ok 13724 # correct ring bond data
199: ok 13725 # correct ring bond data
199: ok 13726 # correct ring bond data
199: ok 13727 # correct ring bond data
199: ok 13728 # correct ring bond data
199: ok 13729 # SSSR size matches reference
199: ok 13730 # correct SSSR count
199: ok 13731 # ring membership passed
199: ok 13732 # correct SSSR count
199: ok 13733 # ring membership passed
199: ok 13734 # correct SSSR count
199: ok 13735 # ring membership passed
199: ok 13736 # correct SSSR count
199: ok 13737 # ring membership passed
199: ok 13738 # correct SSSR count
199: ok 13739 # ring membership passed
199: ok 13740 # correct SSSR count
199: ok 13741 # ring membership passed
199: ok 13742 # correct SSSR count
199: ok 13743 # ring membership passed
199: ok 13744 # correct SSSR count
199: ok 13745 # ring membership passed
199: ok 13746 # correct ring bond data
199: ok 13747 # correct ring bond data
199: ok 13748 # correct ring bond data
199: ok 13749 # correct ring bond data
199: ok 13750 # correct ring bond data
199: ok 13751 # correct ring bond data
199: ok 13752 # correct ring bond data
199: ok 13753 # correct ring bond data
199: ok 13754 # correct ring bond data
199: ok 13755 # correct ring bond data
199: ok 13756 # correct ring bond data
199: ok 13757 # correct ring bond data
199: ok 13758 # correct ring bond data
199: ok 13759 # correct ring bond data
199: ok 13760 # correct ring bond data
199: ok 13761 # correct ring bond data
199: ok 13762 # correct ring bond data
199: ok 13763 # SSSR size matches reference
199: ok 13764 # correct SSSR count
199: ok 13765 # ring membership passed
199: ok 13766 # correct SSSR count
199: ok 13767 # ring membership passed
199: ok 13768 # correct SSSR count
199: ok 13769 # ring membership passed
199: ok 13770 # correct SSSR count
199: ok 13771 # ring membership passed
199: ok 13772 # correct SSSR count
199: ok 13773 # ring membership passed
199: ok 13774 # correct SSSR count
199: ok 13775 # ring membership passed
199: ok 13776 # correct SSSR count
199: ok 13777 # ring membership passed
199: ok 13778 # correct SSSR count
199: ok 13779 # ring membership passed
199: ok 13780 # correct SSSR count
199: ok 13781 # ring membership passed
199: ok 13782 # correct SSSR count
199: ok 13783 # ring membership passed
199: ok 13784 # correct SSSR count
199: ok 13785 # ring membership passed
199: ok 13786 # correct SSSR count
199: ok 13787 # ring membership passed
199: ok 13788 # correct SSSR count
199: ok 13789 # ring membership passed
199: ok 13790 # correct SSSR count
199: ok 13791 # ring membership passed
199: ok 13792 # correct SSSR count
199: ok 13793 # ring membership passed
199: ok 13794 # correct SSSR count
199: ok 13795 # ring membership passed
199: ok 13796 # correct ring bond data
199: ok 13797 # correct ring bond data
199: ok 13798 # correct ring bond data
199: ok 13799 # correct ring bond data
199: ok 13800 # correct ring bond data
199: ok 13801 # correct ring bond data
199: ok 13802 # correct ring bond data
199: ok 13803 # correct ring bond data
199: ok 13804 # correct ring bond data
199: ok 13805 # correct ring bond data
199: ok 13806 # SSSR size matches reference
199: ok 13807 # correct SSSR count
199: ok 13808 # ring membership passed
199: ok 13809 # correct SSSR count
199: ok 13810 # ring membership passed
199: ok 13811 # correct SSSR count
199: ok 13812 # ring membership passed
199: ok 13813 # correct SSSR count
199: ok 13814 # ring membership passed
199: ok 13815 # correct SSSR count
199: ok 13816 # ring membership passed
199: ok 13817 # correct SSSR count
199: ok 13818 # ring membership passed
199: ok 13819 # correct SSSR count
199: ok 13820 # ring membership passed
199: ok 13821 # correct SSSR count
199: ok 13822 # ring membership passed
199: ok 13823 # correct SSSR count
199: ok 13824 # ring membership passed
199: ok 13825 # correct SSSR count
199: ok 13826 # ring membership passed
199: ok 13827 # correct ring bond data
199: ok 13828 # correct ring bond data
199: ok 13829 # correct ring bond data
199: ok 13830 # correct ring bond data
199: ok 13831 # correct ring bond data
199: ok 13832 # correct ring bond data
199: ok 13833 # correct ring bond data
199: ok 13834 # correct ring bond data
199: ok 13835 # correct ring bond data
199: ok 13836 # correct ring bond data
199: ok 13837 # correct ring bond data
199: ok 13838 # correct ring bond data
199: ok 13839 # correct ring bond data
199: ok 13840 # correct ring bond data
199: ok 13841 # correct ring bond data
199: ok 13842 # correct ring bond data
199: ok 13843 # correct ring bond data
199: ok 13844 # SSSR size matches reference
199: ok 13845 # correct SSSR count
199: ok 13846 # ring membership passed
199: ok 13847 # correct SSSR count
199: ok 13848 # ring membership passed
199: ok 13849 # correct SSSR count
199: ok 13850 # ring membership passed
199: ok 13851 # correct SSSR count
199: ok 13852 # ring membership passed
199: ok 13853 # correct SSSR count
199: ok 13854 # ring membership passed
199: ok 13855 # correct SSSR count
199: ok 13856 # ring membership passed
199: ok 13857 # correct SSSR count
199: ok 13858 # ring membership passed
199: ok 13859 # correct SSSR count
199: ok 13860 # ring membership passed
199: ok 13861 # correct SSSR count
199: ok 13862 # ring membership passed
199: ok 13863 # correct SSSR count
199: ok 13864 # ring membership passed
199: ok 13865 # correct SSSR count
199: ok 13866 # ring membership passed
199: ok 13867 # correct SSSR count
199: ok 13868 # ring membership passed
199: ok 13869 # correct SSSR count
199: ok 13870 # ring membership passed
199: ok 13871 # correct SSSR count
199: ok 13872 # ring membership passed
199: ok 13873 # correct SSSR count
199: ok 13874 # ring membership passed
199: ok 13875 # correct SSSR count
199: ok 13876 # ring membership passed
199: ok 13877 # correct ring bond data
199: ok 13878 # correct ring bond data
199: ok 13879 # correct ring bond data
199: ok 13880 # correct ring bond data
199: ok 13881 # correct ring bond data
199: ok 13882 # correct ring bond data
199: ok 13883 # correct ring bond data
199: ok 13884 # correct ring bond data
199: ok 13885 # correct ring bond data
199: ok 13886 # correct ring bond data
199: ok 13887 # correct ring bond data
199: ok 13888 # correct ring bond data
199: ok 13889 # correct ring bond data
199: ok 13890 # correct ring bond data
199: ok 13891 # correct ring bond data
199: ok 13892 # correct ring bond data
199: ok 13893 # correct ring bond data
199: ok 13894 # correct ring bond data
199: ok 13895 # correct ring bond data
199: ok 13896 # correct ring bond data
199: ok 13897 # correct ring bond data
199: ok 13898 # SSSR size matches reference
199: ok 13899 # correct SSSR count
199: ok 13900 # ring membership passed
199: ok 13901 # correct SSSR count
199: ok 13902 # ring membership passed
199: ok 13903 # correct SSSR count
199: ok 13904 # ring membership passed
199: ok 13905 # correct SSSR count
199: ok 13906 # ring membership passed
199: ok 13907 # correct SSSR count
199: ok 13908 # ring membership passed
199: ok 13909 # correct SSSR count
199: ok 13910 # ring membership passed
199: ok 13911 # correct SSSR count
199: ok 13912 # ring membership passed
199: ok 13913 # correct SSSR count
199: ok 13914 # ring membership passed
199: ok 13915 # correct SSSR count
199: ok 13916 # ring membership passed
199: ok 13917 # correct SSSR count
199: ok 13918 # ring membership passed
199: ok 13919 # correct SSSR count
199: ok 13920 # ring membership passed
199: ok 13921 # correct SSSR count
199: ok 13922 # ring membership passed
199: ok 13923 # correct SSSR count
199: ok 13924 # ring membership passed
199: ok 13925 # correct SSSR count
199: ok 13926 # ring membership passed
199: ok 13927 # correct SSSR count
199: ok 13928 # ring membership passed
199: ok 13929 # correct SSSR count
199: ok 13930 # ring membership passed
199: ok 13931 # correct SSSR count
199: ok 13932 # ring membership passed
199: ok 13933 # correct SSSR count
199: ok 13934 # ring membership passed
199: ok 13935 # correct SSSR count
199: ok 13936 # ring membership passed
199: ok 13937 # correct ring bond data
199: ok 13938 # correct ring bond data
199: ok 13939 # correct ring bond data
199: ok 13940 # correct ring bond data
199: ok 13941 # correct ring bond data
199: ok 13942 # correct ring bond data
199: ok 13943 # correct ring bond data
199: ok 13944 # correct ring bond data
199: ok 13945 # correct ring bond data
199: ok 13946 # correct ring bond data
199: ok 13947 # correct ring bond data
199: ok 13948 # correct ring bond data
199: ok 13949 # correct ring bond data
199: ok 13950 # correct ring bond data
199: ok 13951 # correct ring bond data
199: ok 13952 # SSSR size matches reference
199: ok 13953 # correct SSSR count
199: ok 13954 # ring membership passed
199: ok 13955 # correct SSSR count
199: ok 13956 # ring membership passed
199: ok 13957 # correct SSSR count
199: ok 13958 # ring membership passed
199: ok 13959 # correct SSSR count
199: ok 13960 # ring membership passed
199: ok 13961 # correct SSSR count
199: ok 13962 # ring membership passed
199: ok 13963 # correct SSSR count
199: ok 13964 # ring membership passed
199: ok 13965 # correct SSSR count
199: ok 13966 # ring membership passed
199: ok 13967 # correct SSSR count
199: ok 13968 # ring membership passed
199: ok 13969 # correct SSSR count
199: ok 13970 # ring membership passed
199: ok 13971 # correct SSSR count
199: ok 13972 # ring membership passed
199: ok 13973 # correct SSSR count
199: ok 13974 # ring membership passed
199: ok 13975 # correct SSSR count
199: ok 13976 # ring membership passed
199: ok 13977 # correct SSSR count
199: ok 13978 # ring membership passed
199: ok 13979 # correct SSSR count
199: ok 13980 # ring membership passed
199: ok 13981 # correct ring bond data
199: ok 13982 # correct ring bond data
199: ok 13983 # correct ring bond data
199: ok 13984 # correct ring bond data
199: ok 13985 # correct ring bond data
199: ok 13986 # correct ring bond data
199: ok 13987 # correct ring bond data
199: ok 13988 # correct ring bond data
199: ok 13989 # correct ring bond data
199: ok 13990 # correct ring bond data
199: ok 13991 # correct ring bond data
199: ok 13992 # SSSR size matches reference
199: ok 13993 # correct SSSR count
199: ok 13994 # ring membership passed
199: ok 13995 # correct SSSR count
199: ok 13996 # ring membership passed
199: ok 13997 # correct SSSR count
199: ok 13998 # ring membership passed
199: ok 13999 # correct SSSR count
199: ok 14000 # ring membership passed
199: ok 14001 # correct SSSR count
199: ok 14002 # ring membership passed
199: ok 14003 # correct SSSR count
199: ok 14004 # ring membership passed
199: ok 14005 # correct SSSR count
199: ok 14006 # ring membership passed
199: ok 14007 # correct SSSR count
199: ok 14008 # ring membership passed
199: ok 14009 # correct SSSR count
199: ok 14010 # ring membership passed
199: ok 14011 # correct SSSR count
199: ok 14012 # ring membership passed
199: ok 14013 # correct SSSR count
199: ok 14014 # ring membership passed
199: ok 14015 # correct ring bond data
199: ok 14016 # correct ring bond data
199: ok 14017 # correct ring bond data
199: ok 14018 # correct ring bond data
199: ok 14019 # correct ring bond data
199: ok 14020 # correct ring bond data
199: ok 14021 # correct ring bond data
199: ok 14022 # correct ring bond data
199: ok 14023 # correct ring bond data
199: ok 14024 # correct ring bond data
199: ok 14025 # correct ring bond data
199: ok 14026 # correct ring bond data
199: ok 14027 # correct ring bond data
199: ok 14028 # correct ring bond data
199: ok 14029 # correct ring bond data
199: ok 14030 # correct ring bond data
199: ok 14031 # correct ring bond data
199: ok 14032 # correct ring bond data
199: ok 14033 # correct ring bond data
199: ok 14034 # correct ring bond data
199: ok 14035 # correct ring bond data
199: ok 14036 # correct ring bond data
199: ok 14037 # SSSR size matches reference
199: ok 14038 # correct SSSR count
199: ok 14039 # ring membership passed
199: ok 14040 # correct SSSR count
199: ok 14041 # ring membership passed
199: ok 14042 # correct SSSR count
199: ok 14043 # ring membership passed
199: ok 14044 # correct SSSR count
199: ok 14045 # ring membership passed
199: ok 14046 # correct SSSR count
199: ok 14047 # ring membership passed
199: ok 14048 # correct SSSR count
199: ok 14049 # ring membership passed
199: ok 14050 # correct SSSR count
199: ok 14051 # ring membership passed
199: ok 14052 # correct SSSR count
199: ok 14053 # ring membership passed
199: ok 14054 # correct SSSR count
199: ok 14055 # ring membership passed
199: ok 14056 # correct SSSR count
199: ok 14057 # ring membership passed
199: ok 14058 # correct SSSR count
199: ok 14059 # ring membership passed
199: ok 14060 # correct SSSR count
199: ok 14061 # ring membership passed
199: ok 14062 # correct SSSR count
199: ok 14063 # ring membership passed
199: ok 14064 # correct SSSR count
199: ok 14065 # ring membership passed
199: ok 14066 # correct SSSR count
199: ok 14067 # ring membership passed
199: ok 14068 # correct SSSR count
199: ok 14069 # ring membership passed
199: ok 14070 # correct SSSR count
199: ok 14071 # ring membership passed
199: ok 14072 # correct SSSR count
199: ok 14073 # ring membership passed
199: ok 14074 # correct SSSR count
199: ok 14075 # ring membership passed
199: ok 14076 # correct ring bond data
199: ok 14077 # correct ring bond data
199: ok 14078 # correct ring bond data
199: ok 14079 # correct ring bond data
199: ok 14080 # correct ring bond data
199: ok 14081 # correct ring bond data
199: ok 14082 # correct ring bond data
199: ok 14083 # correct ring bond data
199: ok 14084 # correct ring bond data
199: ok 14085 # correct ring bond data
199: ok 14086 # correct ring bond data
199: ok 14087 # correct ring bond data
199: ok 14088 # correct ring bond data
199: ok 14089 # correct ring bond data
199: ok 14090 # correct ring bond data
199: ok 14091 # correct ring bond data
199: ok 14092 # correct ring bond data
199: ok 14093 # correct ring bond data
199: ok 14094 # correct ring bond data
199: ok 14095 # correct ring bond data
199: ok 14096 # correct ring bond data
199: ok 14097 # correct ring bond data
199: ok 14098 # correct ring bond data
199: ok 14099 # correct ring bond data
199: ok 14100 # correct ring bond data
199: ok 14101 # correct ring bond data
199: ok 14102 # correct ring bond data
199: ok 14103 # correct ring bond data
199: ok 14104 # correct ring bond data
199: ok 14105 # correct ring bond data
199: ok 14106 # correct ring bond data
199: ok 14107 # SSSR size matches reference
199: ok 14108 # correct SSSR count
199: ok 14109 # ring membership passed
199: ok 14110 # correct SSSR count
199: ok 14111 # ring membership passed
199: ok 14112 # correct SSSR count
199: ok 14113 # ring membership passed
199: ok 14114 # correct SSSR count
199: ok 14115 # ring membership passed
199: ok 14116 # correct SSSR count
199: ok 14117 # ring membership passed
199: ok 14118 # correct SSSR count
199: ok 14119 # ring membership passed
199: ok 14120 # correct SSSR count
199: ok 14121 # ring membership passed
199: ok 14122 # correct SSSR count
199: ok 14123 # ring membership passed
199: ok 14124 # correct SSSR count
199: ok 14125 # ring membership passed
199: ok 14126 # correct SSSR count
199: ok 14127 # ring membership passed
199: ok 14128 # correct SSSR count
199: ok 14129 # ring membership passed
199: ok 14130 # correct SSSR count
199: ok 14131 # ring membership passed
199: ok 14132 # correct SSSR count
199: ok 14133 # ring membership passed
199: ok 14134 # correct SSSR count
199: ok 14135 # ring membership passed
199: ok 14136 # correct SSSR count
199: ok 14137 # ring membership passed
199: ok 14138 # correct SSSR count
199: ok 14139 # ring membership passed
199: ok 14140 # correct SSSR count
199: ok 14141 # ring membership passed
199: ok 14142 # correct SSSR count
199: ok 14143 # ring membership passed
199: ok 14144 # correct SSSR count
199: ok 14145 # ring membership passed
199: ok 14146 # correct SSSR count
199: ok 14147 # ring membership passed
199: ok 14148 # correct SSSR count
199: ok 14149 # ring membership passed
199: ok 14150 # correct SSSR count
199: ok 14151 # ring membership passed
199: ok 14152 # correct SSSR count
199: ok 14153 # ring membership passed
199: ok 14154 # correct SSSR count
199: ok 14155 # ring membership passed
199: ok 14156 # correct SSSR count
199: ok 14157 # ring membership passed
199: ok 14158 # correct SSSR count
199: ok 14159 # ring membership passed
199: ok 14160 # correct SSSR count
199: ok 14161 # ring membership passed
199: ok 14162 # correct SSSR count
199: ok 14163 # ring membership passed
199: ok 14164 # correct ring bond data
199: ok 14165 # correct ring bond data
199: ok 14166 # correct ring bond data
199: ok 14167 # correct ring bond data
199: ok 14168 # correct ring bond data
199: ok 14169 # correct ring bond data
199: ok 14170 # correct ring bond data
199: ok 14171 # correct ring bond data
199: ok 14172 # correct ring bond data
199: ok 14173 # correct ring bond data
199: ok 14174 # correct ring bond data
199: ok 14175 # correct ring bond data
199: ok 14176 # correct ring bond data
199: ok 14177 # correct ring bond data
199: ok 14178 # correct ring bond data
199: ok 14179 # correct ring bond data
199: ok 14180 # correct ring bond data
199: ok 14181 # correct ring bond data
199: ok 14182 # correct ring bond data
199: ok 14183 # correct ring bond data
199: ok 14184 # correct ring bond data
199: ok 14185 # correct ring bond data
199: ok 14186 # correct ring bond data
199: ok 14187 # SSSR size matches reference
199: ok 14188 # correct SSSR count
199: ok 14189 # ring membership passed
199: ok 14190 # correct SSSR count
199: ok 14191 # ring membership passed
199: ok 14192 # correct SSSR count
199: ok 14193 # ring membership passed
199: ok 14194 # correct SSSR count
199: ok 14195 # ring membership passed
199: ok 14196 # correct SSSR count
199: ok 14197 # ring membership passed
199: ok 14198 # correct SSSR count
199: ok 14199 # ring membership passed
199: ok 14200 # correct SSSR count
199: ok 14201 # ring membership passed
199: ok 14202 # correct SSSR count
199: ok 14203 # ring membership passed
199: ok 14204 # correct SSSR count
199: ok 14205 # ring membership passed
199: ok 14206 # correct SSSR count
199: ok 14207 # ring membership passed
199: ok 14208 # correct SSSR count
199: ok 14209 # ring membership passed
199: ok 14210 # correct SSSR count
199: ok 14211 # ring membership passed
199: ok 14212 # correct SSSR count
199: ok 14213 # ring membership passed
199: ok 14214 # correct SSSR count
199: ok 14215 # ring membership passed
199: ok 14216 # correct SSSR count
199: ok 14217 # ring membership passed
199: ok 14218 # correct SSSR count
199: ok 14219 # ring membership passed
199: ok 14220 # correct SSSR count
199: ok 14221 # ring membership passed
199: ok 14222 # correct SSSR count
199: ok 14223 # ring membership passed
199: ok 14224 # correct SSSR count
199: ok 14225 # ring membership passed
199: ok 14226 # correct SSSR count
199: ok 14227 # ring membership passed
199: ok 14228 # correct SSSR count
199: ok 14229 # ring membership passed
199: ok 14230 # correct SSSR count
199: ok 14231 # ring membership passed
199: ok 14232 # correct ring bond data
199: ok 14233 # correct ring bond data
199: ok 14234 # correct ring bond data
199: ok 14235 # correct ring bond data
199: ok 14236 # correct ring bond data
199: ok 14237 # correct ring bond data
199: ok 14238 # correct ring bond data
199: ok 14239 # correct ring bond data
199: ok 14240 # correct ring bond data
199: ok 14241 # correct ring bond data
199: ok 14242 # correct ring bond data
199: ok 14243 # correct ring bond data
199: ok 14244 # correct ring bond data
199: ok 14245 # correct ring bond data
199: ok 14246 # correct ring bond data
199: ok 14247 # correct ring bond data
199: ok 14248 # SSSR size matches reference
199: ok 14249 # correct SSSR count
199: ok 14250 # ring membership passed
199: ok 14251 # correct SSSR count
199: ok 14252 # ring membership passed
199: ok 14253 # correct SSSR count
199: ok 14254 # ring membership passed
199: ok 14255 # correct SSSR count
199: ok 14256 # ring membership passed
199: ok 14257 # correct SSSR count
199: ok 14258 # ring membership passed
199: ok 14259 # correct SSSR count
199: ok 14260 # ring membership passed
199: ok 14261 # correct SSSR count
199: ok 14262 # ring membership passed
199: ok 14263 # correct SSSR count
199: ok 14264 # ring membership passed
199: ok 14265 # correct SSSR count
199: ok 14266 # ring membership passed
199: ok 14267 # correct SSSR count
199: ok 14268 # ring membership passed
199: ok 14269 # correct SSSR count
199: ok 14270 # ring membership passed
199: ok 14271 # correct SSSR count
199: ok 14272 # ring membership passed
199: ok 14273 # correct SSSR count
199: ok 14274 # ring membership passed
199: ok 14275 # correct SSSR count
199: ok 14276 # ring membership passed
199: ok 14277 # correct SSSR count
199: ok 14278 # ring membership passed
199: ok 14279 # correct ring bond data
199: ok 14280 # correct ring bond data
199: ok 14281 # correct ring bond data
199: ok 14282 # correct ring bond data
199: ok 14283 # correct ring bond data
199: ok 14284 # correct ring bond data
199: ok 14285 # correct ring bond data
199: ok 14286 # correct ring bond data
199: ok 14287 # correct ring bond data
199: ok 14288 # correct ring bond data
199: ok 14289 # correct ring bond data
199: ok 14290 # correct ring bond data
199: ok 14291 # correct ring bond data
199: ok 14292 # correct ring bond data
199: ok 14293 # correct ring bond data
199: ok 14294 # correct ring bond data
199: ok 14295 # correct ring bond data
199: ok 14296 # correct ring bond data
199: ok 14297 # correct ring bond data
199: ok 14298 # correct ring bond data
199: ok 14299 # correct ring bond data
199: ok 14300 # correct ring bond data
199: ok 14301 # correct ring bond data
199: ok 14302 # correct ring bond data
199: ok 14303 # correct ring bond data
199: ok 14304 # correct ring bond data
199: ok 14305 # correct ring bond data
199: ok 14306 # correct ring bond data
199: ok 14307 # correct ring bond data
199: ok 14308 # correct ring bond data
199: ok 14309 # correct ring bond data
199: ok 14310 # correct ring bond data
199: ok 14311 # correct ring bond data
199: ok 14312 # correct ring bond data
199: ok 14313 # correct ring bond data
199: ok 14314 # correct ring bond data
199: ok 14315 # correct ring bond data
199: ok 14316 # correct ring bond data
199: ok 14317 # correct ring bond data
199: ok 14318 # correct ring bond data
199: ok 14319 # correct ring bond data
199: ok 14320 # correct ring bond data
199: ok 14321 # correct ring bond data
199: ok 14322 # correct ring bond data
199: ok 14323 # correct ring bond data
199: ok 14324 # correct ring bond data
199: ok 14325 # correct ring bond data
199: ok 14326 # SSSR size matches reference
199: ok 14327 # correct SSSR count
199: ok 14328 # ring membership passed
199: ok 14329 # correct SSSR count
199: ok 14330 # ring membership passed
199: ok 14331 # correct SSSR count
199: ok 14332 # ring membership passed
199: ok 14333 # correct SSSR count
199: ok 14334 # ring membership passed
199: ok 14335 # correct SSSR count
199: ok 14336 # ring membership passed
199: ok 14337 # correct SSSR count
199: ok 14338 # ring membership passed
199: ok 14339 # correct SSSR count
199: ok 14340 # ring membership passed
199: ok 14341 # correct SSSR count
199: ok 14342 # ring membership passed
199: ok 14343 # correct SSSR count
199: ok 14344 # ring membership passed
199: ok 14345 # correct SSSR count
199: ok 14346 # ring membership passed
199: ok 14347 # correct SSSR count
199: ok 14348 # ring membership passed
199: ok 14349 # correct SSSR count
199: ok 14350 # ring membership passed
199: ok 14351 # correct SSSR count
199: ok 14352 # ring membership passed
199: ok 14353 # correct SSSR count
199: ok 14354 # ring membership passed
199: ok 14355 # correct SSSR count
199: ok 14356 # ring membership passed
199: ok 14357 # correct SSSR count
199: ok 14358 # ring membership passed
199: ok 14359 # correct SSSR count
199: ok 14360 # ring membership passed
199: ok 14361 # correct SSSR count
199: ok 14362 # ring membership passed
199: ok 14363 # correct SSSR count
199: ok 14364 # ring membership passed
199: ok 14365 # correct SSSR count
199: ok 14366 # ring membership passed
199: ok 14367 # correct SSSR count
199: ok 14368 # ring membership passed
199: ok 14369 # correct SSSR count
199: ok 14370 # ring membership passed
199: ok 14371 # correct SSSR count
199: ok 14372 # ring membership passed
199: ok 14373 # correct SSSR count
199: ok 14374 # ring membership passed
199: ok 14375 # correct SSSR count
199: ok 14376 # ring membership passed
199: ok 14377 # correct SSSR count
199: ok 14378 # ring membership passed
199: ok 14379 # correct SSSR count
199: ok 14380 # ring membership passed
199: ok 14381 # correct SSSR count
199: ok 14382 # ring membership passed
199: ok 14383 # correct SSSR count
199: ok 14384 # ring membership passed
199: ok 14385 # correct SSSR count
199: ok 14386 # ring membership passed
199: ok 14387 # correct SSSR count
199: ok 14388 # ring membership passed
199: ok 14389 # correct SSSR count
199: ok 14390 # ring membership passed
199: ok 14391 # correct SSSR count
199: ok 14392 # ring membership passed
199: ok 14393 # correct SSSR count
199: ok 14394 # ring membership passed
199: ok 14395 # correct SSSR count
199: ok 14396 # ring membership passed
199: ok 14397 # correct SSSR count
199: ok 14398 # ring membership passed
199: ok 14399 # correct SSSR count
199: ok 14400 # ring membership passed
199: ok 14401 # correct SSSR count
199: ok 14402 # ring membership passed
199: ok 14403 # correct SSSR count
199: ok 14404 # ring membership passed
199: ok 14405 # correct SSSR count
199: ok 14406 # ring membership passed
199: ok 14407 # correct SSSR count
199: ok 14408 # ring membership passed
199: ok 14409 # correct SSSR count
199: ok 14410 # ring membership passed
199: ok 14411 # correct SSSR count
199: ok 14412 # ring membership passed
199: ok 14413 # correct SSSR count
199: ok 14414 # ring membership passed
199: ok 14415 # correct SSSR count
199: ok 14416 # ring membership passed
199: ok 14417 # correct ring bond data
199: ok 14418 # correct ring bond data
199: ok 14419 # correct ring bond data
199: ok 14420 # correct ring bond data
199: ok 14421 # correct ring bond data
199: ok 14422 # correct ring bond data
199: ok 14423 # correct ring bond data
199: ok 14424 # correct ring bond data
199: ok 14425 # correct ring bond data
199: ok 14426 # correct ring bond data
199: ok 14427 # correct ring bond data
199: ok 14428 # correct ring bond data
199: ok 14429 # correct ring bond data
199: ok 14430 # correct ring bond data
199: ok 14431 # correct ring bond data
199: ok 14432 # correct ring bond data
199: ok 14433 # correct ring bond data
199: ok 14434 # correct ring bond data
199: ok 14435 # correct ring bond data
199: ok 14436 # correct ring bond data
199: ok 14437 # correct ring bond data
199: ok 14438 # correct ring bond data
199: ok 14439 # correct ring bond data
199: ok 14440 # correct ring bond data
199: ok 14441 # correct ring bond data
199: ok 14442 # correct ring bond data
199: ok 14443 # correct ring bond data
199: ok 14444 # correct ring bond data
199: ok 14445 # correct ring bond data
199: ok 14446 # correct ring bond data
199: ok 14447 # correct ring bond data
199: ok 14448 # correct ring bond data
199: ok 14449 # correct ring bond data
199: ok 14450 # correct ring bond data
199: ok 14451 # correct ring bond data
199: ok 14452 # correct ring bond data
199: ok 14453 # correct ring bond data
199: ok 14454 # SSSR size matches reference
199: ok 14455 # correct SSSR count
199: ok 14456 # ring membership passed
199: ok 14457 # correct SSSR count
199: ok 14458 # ring membership passed
199: ok 14459 # correct SSSR count
199: ok 14460 # ring membership passed
199: ok 14461 # correct SSSR count
199: ok 14462 # ring membership passed
199: ok 14463 # correct SSSR count
199: ok 14464 # ring membership passed
199: ok 14465 # correct SSSR count
199: ok 14466 # ring membership passed
199: ok 14467 # correct SSSR count
199: ok 14468 # ring membership passed
199: ok 14469 # correct SSSR count
199: ok 14470 # ring membership passed
199: ok 14471 # correct SSSR count
199: ok 14472 # ring membership passed
199: ok 14473 # correct SSSR count
199: ok 14474 # ring membership passed
199: ok 14475 # correct SSSR count
199: ok 14476 # ring membership passed
199: ok 14477 # correct SSSR count
199: ok 14478 # ring membership passed
199: ok 14479 # correct SSSR count
199: ok 14480 # ring membership passed
199: ok 14481 # correct SSSR count
199: ok 14482 # ring membership passed
199: ok 14483 # correct SSSR count
199: ok 14484 # ring membership passed
199: ok 14485 # correct SSSR count
199: ok 14486 # ring membership passed
199: ok 14487 # correct SSSR count
199: ok 14488 # ring membership passed
199: ok 14489 # correct SSSR count
199: ok 14490 # ring membership passed
199: ok 14491 # correct SSSR count
199: ok 14492 # ring membership passed
199: ok 14493 # correct SSSR count
199: ok 14494 # ring membership passed
199: ok 14495 # correct SSSR count
199: ok 14496 # ring membership passed
199: ok 14497 # correct SSSR count
199: ok 14498 # ring membership passed
199: ok 14499 # correct SSSR count
199: ok 14500 # ring membership passed
199: ok 14501 # correct SSSR count
199: ok 14502 # ring membership passed
199: ok 14503 # correct SSSR count
199: ok 14504 # ring membership passed
199: ok 14505 # correct SSSR count
199: ok 14506 # ring membership passed
199: ok 14507 # correct SSSR count
199: ok 14508 # ring membership passed
199: ok 14509 # correct SSSR count
199: ok 14510 # ring membership passed
199: ok 14511 # correct SSSR count
199: ok 14512 # ring membership passed
199: ok 14513 # correct SSSR count
199: ok 14514 # ring membership passed
199: ok 14515 # correct SSSR count
199: ok 14516 # ring membership passed
199: ok 14517 # correct SSSR count
199: ok 14518 # ring membership passed
199: ok 14519 # correct SSSR count
199: ok 14520 # ring membership passed
199: ok 14521 # correct ring bond data
199: ok 14522 # correct ring bond data
199: ok 14523 # correct ring bond data
199: ok 14524 # correct ring bond data
199: ok 14525 # correct ring bond data
199: ok 14526 # correct ring bond data
199: ok 14527 # correct ring bond data
199: ok 14528 # correct ring bond data
199: ok 14529 # correct ring bond data
199: ok 14530 # correct ring bond data
199: ok 14531 # correct ring bond data
199: ok 14532 # correct ring bond data
199: ok 14533 # correct ring bond data
199: ok 14534 # correct ring bond data
199: ok 14535 # correct ring bond data
199: ok 14536 # correct ring bond data
199: ok 14537 # correct ring bond data
199: ok 14538 # correct ring bond data
199: ok 14539 # correct ring bond data
199: ok 14540 # correct ring bond data
199: ok 14541 # correct ring bond data
199: ok 14542 # correct ring bond data
199: ok 14543 # correct ring bond data
199: ok 14544 # correct ring bond data
199: ok 14545 # correct ring bond data
199: ok 14546 # correct ring bond data
199: ok 14547 # SSSR size matches reference
199: ok 14548 # correct SSSR count
199: ok 14549 # ring membership passed
199: ok 14550 # correct SSSR count
199: ok 14551 # ring membership passed
199: ok 14552 # correct SSSR count
199: ok 14553 # ring membership passed
199: ok 14554 # correct SSSR count
199: ok 14555 # ring membership passed
199: ok 14556 # correct SSSR count
199: ok 14557 # ring membership passed
199: ok 14558 # correct SSSR count
199: ok 14559 # ring membership passed
199: ok 14560 # correct SSSR count
199: ok 14561 # ring membership passed
199: ok 14562 # correct SSSR count
199: ok 14563 # ring membership passed
199: ok 14564 # correct SSSR count
199: ok 14565 # ring membership passed
199: ok 14566 # correct SSSR count
199: ok 14567 # ring membership passed
199: ok 14568 # correct SSSR count
199: ok 14569 # ring membership passed
199: ok 14570 # correct SSSR count
199: ok 14571 # ring membership passed
199: ok 14572 # correct SSSR count
199: ok 14573 # ring membership passed
199: ok 14574 # correct SSSR count
199: ok 14575 # ring membership passed
199: ok 14576 # correct SSSR count
199: ok 14577 # ring membership passed
199: ok 14578 # correct SSSR count
199: ok 14579 # ring membership passed
199: ok 14580 # correct SSSR count
199: ok 14581 # ring membership passed
199: ok 14582 # correct SSSR count
199: ok 14583 # ring membership passed
199: ok 14584 # correct SSSR count
199: ok 14585 # ring membership passed
199: ok 14586 # correct SSSR count
199: ok 14587 # ring membership passed
199: ok 14588 # correct SSSR count
199: ok 14589 # ring membership passed
199: ok 14590 # correct SSSR count
199: ok 14591 # ring membership passed
199: ok 14592 # correct SSSR count
199: ok 14593 # ring membership passed
199: ok 14594 # correct SSSR count
199: ok 14595 # ring membership passed
199: ok 14596 # correct SSSR count
199: ok 14597 # ring membership passed
199: ok 14598 # correct SSSR count
199: ok 14599 # ring membership passed
199: ok 14600 # correct ring bond data
199: ok 14601 # correct ring bond data
199: ok 14602 # correct ring bond data
199: ok 14603 # correct ring bond data
199: ok 14604 # correct ring bond data
199: ok 14605 # correct ring bond data
199: ok 14606 # correct ring bond data
199: ok 14607 # correct ring bond data
199: ok 14608 # correct ring bond data
199: ok 14609 # correct ring bond data
199: ok 14610 # correct ring bond data
199: ok 14611 # correct ring bond data
199: ok 14612 # correct ring bond data
199: ok 14613 # correct ring bond data
199: ok 14614 # correct ring bond data
199: ok 14615 # correct ring bond data
199: ok 14616 # correct ring bond data
199: ok 14617 # correct ring bond data
199: ok 14618 # correct ring bond data
199: ok 14619 # correct ring bond data
199: ok 14620 # correct ring bond data
199: ok 14621 # correct ring bond data
199: ok 14622 # correct ring bond data
199: ok 14623 # correct ring bond data
199: ok 14624 # correct ring bond data
199: ok 14625 # correct ring bond data
199: ok 14626 # correct ring bond data
199: ok 14627 # correct ring bond data
199: ok 14628 # correct ring bond data
199: ok 14629 # correct ring bond data
199: ok 14630 # correct ring bond data
199: ok 14631 # correct ring bond data
199: ok 14632 # correct ring bond data
199: ok 14633 # correct ring bond data
199: ok 14634 # correct ring bond data
199: ok 14635 # correct ring bond data
199: ok 14636 # correct ring bond data
199: ok 14637 # correct ring bond data
199: ok 14638 # correct ring bond data
199: ok 14639 # correct ring bond data
199: ok 14640 # correct ring bond data
199: ok 14641 # correct ring bond data
199: ok 14642 # SSSR size matches reference
199: ok 14643 # correct SSSR count
199: ok 14644 # ring membership passed
199: ok 14645 # correct SSSR count
199: ok 14646 # ring membership passed
199: ok 14647 # correct SSSR count
199: ok 14648 # ring membership passed
199: ok 14649 # correct SSSR count
199: ok 14650 # ring membership passed
199: ok 14651 # correct SSSR count
199: ok 14652 # ring membership passed
199: ok 14653 # correct SSSR count
199: ok 14654 # ring membership passed
199: ok 14655 # correct SSSR count
199: ok 14656 # ring membership passed
199: ok 14657 # correct SSSR count
199: ok 14658 # ring membership passed
199: ok 14659 # correct SSSR count
199: ok 14660 # ring membership passed
199: ok 14661 # correct SSSR count
199: ok 14662 # ring membership passed
199: ok 14663 # correct SSSR count
199: ok 14664 # ring membership passed
199: ok 14665 # correct SSSR count
199: ok 14666 # ring membership passed
199: ok 14667 # correct SSSR count
199: ok 14668 # ring membership passed
199: ok 14669 # correct SSSR count
199: ok 14670 # ring membership passed
199: ok 14671 # correct SSSR count
199: ok 14672 # ring membership passed
199: ok 14673 # correct SSSR count
199: ok 14674 # ring membership passed
199: ok 14675 # correct SSSR count
199: ok 14676 # ring membership passed
199: ok 14677 # correct SSSR count
199: ok 14678 # ring membership passed
199: ok 14679 # correct SSSR count
199: ok 14680 # ring membership passed
199: ok 14681 # correct SSSR count
199: ok 14682 # ring membership passed
199: ok 14683 # correct SSSR count
199: ok 14684 # ring membership passed
199: ok 14685 # correct SSSR count
199: ok 14686 # ring membership passed
199: ok 14687 # correct SSSR count
199: ok 14688 # ring membership passed
199: ok 14689 # correct SSSR count
199: ok 14690 # ring membership passed
199: ok 14691 # correct SSSR count
199: ok 14692 # ring membership passed
199: ok 14693 # correct SSSR count
199: ok 14694 # ring membership passed
199: ok 14695 # correct SSSR count
199: ok 14696 # ring membership passed
199: ok 14697 # correct SSSR count
199: ok 14698 # ring membership passed
199: ok 14699 # correct SSSR count
199: ok 14700 # ring membership passed
199: ok 14701 # correct SSSR count
199: ok 14702 # ring membership passed
199: ok 14703 # correct SSSR count
199: ok 14704 # ring membership passed
199: ok 14705 # correct SSSR count
199: ok 14706 # ring membership passed
199: ok 14707 # correct SSSR count
199: ok 14708 # ring membership passed
199: ok 14709 # correct SSSR count
199: ok 14710 # ring membership passed
199: ok 14711 # correct SSSR count
199: ok 14712 # ring membership passed
199: ok 14713 # correct SSSR count
199: ok 14714 # ring membership passed
199: ok 14715 # correct SSSR count
199: ok 14716 # ring membership passed
199: ok 14717 # correct SSSR count
199: ok 14718 # ring membership passed
199: ok 14719 # correct SSSR count
199: ok 14720 # ring membership passed
199: ok 14721 # correct SSSR count
199: ok 14722 # ring membership passed
199: ok 14723 # correct SSSR count
199: ok 14724 # ring membership passed
199: ok 14725 # correct ring bond data
199: ok 14726 # correct ring bond data
199: ok 14727 # correct ring bond data
199: ok 14728 # correct ring bond data
199: ok 14729 # correct ring bond data
199: ok 14730 # correct ring bond data
199: ok 14731 # correct ring bond data
199: ok 14732 # correct ring bond data
199: ok 14733 # correct ring bond data
199: ok 14734 # correct ring bond data
199: ok 14735 # correct ring bond data
199: ok 14736 # correct ring bond data
199: ok 14737 # correct ring bond data
199: ok 14738 # correct ring bond data
199: ok 14739 # correct ring bond data
199: ok 14740 # SSSR size matches reference
199: ok 14741 # correct SSSR count
199: ok 14742 # ring membership passed
199: ok 14743 # correct SSSR count
199: ok 14744 # ring membership passed
199: ok 14745 # correct SSSR count
199: ok 14746 # ring membership passed
199: ok 14747 # correct SSSR count
199: ok 14748 # ring membership passed
199: ok 14749 # correct SSSR count
199: ok 14750 # ring membership passed
199: ok 14751 # correct SSSR count
199: ok 14752 # ring membership passed
199: ok 14753 # correct SSSR count
199: ok 14754 # ring membership passed
199: ok 14755 # correct SSSR count
199: ok 14756 # ring membership passed
199: ok 14757 # correct SSSR count
199: ok 14758 # ring membership passed
199: ok 14759 # correct SSSR count
199: ok 14760 # ring membership passed
199: ok 14761 # correct SSSR count
199: ok 14762 # ring membership passed
199: ok 14763 # correct SSSR count
199: ok 14764 # ring membership passed
199: ok 14765 # correct SSSR count
199: ok 14766 # ring membership passed
199: ok 14767 # correct SSSR count
199: ok 14768 # ring membership passed
199: ok 14769 # correct ring bond data
199: ok 14770 # correct ring bond data
199: ok 14771 # correct ring bond data
199: ok 14772 # correct ring bond data
199: ok 14773 # correct ring bond data
199: ok 14774 # correct ring bond data
199: ok 14775 # correct ring bond data
199: ok 14776 # correct ring bond data
199: ok 14777 # correct ring bond data
199: ok 14778 # correct ring bond data
199: ok 14779 # correct ring bond data
199: ok 14780 # SSSR size matches reference
199: ok 14781 # correct SSSR count
199: ok 14782 # ring membership passed
199: ok 14783 # correct SSSR count
199: ok 14784 # ring membership passed
199: ok 14785 # correct SSSR count
199: ok 14786 # ring membership passed
199: ok 14787 # correct SSSR count
199: ok 14788 # ring membership passed
199: ok 14789 # correct SSSR count
199: ok 14790 # ring membership passed
199: ok 14791 # correct SSSR count
199: ok 14792 # ring membership passed
199: ok 14793 # correct SSSR count
199: ok 14794 # ring membership passed
199: ok 14795 # correct SSSR count
199: ok 14796 # ring membership passed
199: ok 14797 # correct SSSR count
199: ok 14798 # ring membership passed
199: ok 14799 # correct SSSR count
199: ok 14800 # ring membership passed
199: ok 14801 # correct SSSR count
199: ok 14802 # ring membership passed
199: ok 14803 # correct SSSR count
199: ok 14804 # ring membership passed
199: ok 14805 # correct ring bond data
199: ok 14806 # correct ring bond data
199: ok 14807 # correct ring bond data
199: ok 14808 # correct ring bond data
199: ok 14809 # correct ring bond data
199: ok 14810 # correct ring bond data
199: ok 14811 # correct ring bond data
199: ok 14812 # correct ring bond data
199: ok 14813 # SSSR size matches reference
199: ok 14814 # correct SSSR count
199: ok 14815 # ring membership passed
199: ok 14816 # correct SSSR count
199: ok 14817 # ring membership passed
199: ok 14818 # correct SSSR count
199: ok 14819 # ring membership passed
199: ok 14820 # correct SSSR count
199: ok 14821 # ring membership passed
199: ok 14822 # correct SSSR count
199: ok 14823 # ring membership passed
199: ok 14824 # correct SSSR count
199: ok 14825 # ring membership passed
199: ok 14826 # correct SSSR count
199: ok 14827 # ring membership passed
199: ok 14828 # correct SSSR count
199: ok 14829 # ring membership passed
199: ok 14830 # correct SSSR count
199: ok 14831 # ring membership passed
199: ok 14832 # correct SSSR count
199: ok 14833 # ring membership passed
199: ok 14834 # correct ring bond data
199: ok 14835 # correct ring bond data
199: ok 14836 # correct ring bond data
199: ok 14837 # correct ring bond data
199: ok 14838 # correct ring bond data
199: ok 14839 # correct ring bond data
199: ok 14840 # correct ring bond data
199: ok 14841 # correct ring bond data
199: ok 14842 # correct ring bond data
199: ok 14843 # correct ring bond data
199: ok 14844 # correct ring bond data
199: ok 14845 # correct ring bond data
199: ok 14846 # correct ring bond data
199: ok 14847 # correct ring bond data
199: ok 14848 # correct ring bond data
199: ok 14849 # SSSR size matches reference
199: ok 14850 # correct SSSR count
199: ok 14851 # ring membership passed
199: ok 14852 # correct SSSR count
199: ok 14853 # ring membership passed
199: ok 14854 # correct SSSR count
199: ok 14855 # ring membership passed
199: ok 14856 # correct SSSR count
199: ok 14857 # ring membership passed
199: ok 14858 # correct SSSR count
199: ok 14859 # ring membership passed
199: ok 14860 # correct SSSR count
199: ok 14861 # ring membership passed
199: ok 14862 # correct SSSR count
199: ok 14863 # ring membership passed
199: ok 14864 # correct SSSR count
199: ok 14865 # ring membership passed
199: ok 14866 # correct SSSR count
199: ok 14867 # ring membership passed
199: ok 14868 # correct SSSR count
199: ok 14869 # ring membership passed
199: ok 14870 # correct SSSR count
199: ok 14871 # ring membership passed
199: ok 14872 # correct SSSR count
199: ok 14873 # ring membership passed
199: ok 14874 # correct SSSR count
199: ok 14875 # ring membership passed
199: ok 14876 # correct SSSR count
199: ok 14877 # ring membership passed
199: ok 14878 # correct SSSR count
199: ok 14879 # ring membership passed
199: ok 14880 # correct SSSR count
199: ok 14881 # ring membership passed
199: ok 14882 # correct ring bond data
199: ok 14883 # correct ring bond data
199: ok 14884 # correct ring bond data
199: ok 14885 # correct ring bond data
199: ok 14886 # correct ring bond data
199: ok 14887 # correct ring bond data
199: ok 14888 # correct ring bond data
199: ok 14889 # correct ring bond data
199: ok 14890 # correct ring bond data
199: ok 14891 # correct ring bond data
199: ok 14892 # correct ring bond data
199: ok 14893 # SSSR size matches reference
199: ok 14894 # correct SSSR count
199: ok 14895 # ring membership passed
199: ok 14896 # correct SSSR count
199: ok 14897 # ring membership passed
199: ok 14898 # correct SSSR count
199: ok 14899 # ring membership passed
199: ok 14900 # correct SSSR count
199: ok 14901 # ring membership passed
199: ok 14902 # correct SSSR count
199: ok 14903 # ring membership passed
199: ok 14904 # correct SSSR count
199: ok 14905 # ring membership passed
199: ok 14906 # correct SSSR count
199: ok 14907 # ring membership passed
199: ok 14908 # correct SSSR count
199: ok 14909 # ring membership passed
199: ok 14910 # correct SSSR count
199: ok 14911 # ring membership passed
199: ok 14912 # correct SSSR count
199: ok 14913 # ring membership passed
199: ok 14914 # correct SSSR count
199: ok 14915 # ring membership passed
199: ok 14916 # correct SSSR count
199: ok 14917 # ring membership passed
199: ok 14918 # correct SSSR count
199: ok 14919 # ring membership passed
199: ok 14920 # correct ring bond data
199: ok 14921 # correct ring bond data
199: ok 14922 # correct ring bond data
199: ok 14923 # correct ring bond data
199: ok 14924 # correct ring bond data
199: ok 14925 # correct ring bond data
199: ok 14926 # SSSR size matches reference
199: ok 14927 # correct SSSR count
199: ok 14928 # ring membership passed
199: ok 14929 # correct SSSR count
199: ok 14930 # ring membership passed
199: ok 14931 # correct SSSR count
199: ok 14932 # ring membership passed
199: ok 14933 # correct SSSR count
199: ok 14934 # ring membership passed
199: ok 14935 # correct SSSR count
199: ok 14936 # ring membership passed
199: ok 14937 # correct SSSR count
199: ok 14938 # ring membership passed
199: ok 14939 # correct SSSR count
199: ok 14940 # ring membership passed
199: ok 14941 # correct SSSR count
199: ok 14942 # ring membership passed
199: ok 14943 # correct ring bond data
199: ok 14944 # correct ring bond data
199: ok 14945 # correct ring bond data
199: ok 14946 # correct ring bond data
199: ok 14947 # correct ring bond data
199: ok 14948 # correct ring bond data
199: ok 14949 # correct ring bond data
199: ok 14950 # correct ring bond data
199: ok 14951 # correct ring bond data
199: ok 14952 # correct ring bond data
199: ok 14953 # correct ring bond data
199: ok 14954 # correct ring bond data
199: ok 14955 # correct ring bond data
199: ok 14956 # SSSR size matches reference
199: ok 14957 # correct SSSR count
199: ok 14958 # ring membership passed
199: ok 14959 # correct SSSR count
199: ok 14960 # ring membership passed
199: ok 14961 # correct SSSR count
199: ok 14962 # ring membership passed
199: ok 14963 # correct SSSR count
199: ok 14964 # ring membership passed
199: ok 14965 # correct SSSR count
199: ok 14966 # ring membership passed
199: ok 14967 # correct SSSR count
199: ok 14968 # ring membership passed
199: ok 14969 # correct SSSR count
199: ok 14970 # ring membership passed
199: ok 14971 # correct SSSR count
199: ok 14972 # ring membership passed
199: ok 14973 # correct SSSR count
199: ok 14974 # ring membership passed
199: ok 14975 # correct SSSR count
199: ok 14976 # ring membership passed
199: ok 14977 # correct SSSR count
199: ok 14978 # ring membership passed
199: ok 14979 # correct SSSR count
199: ok 14980 # ring membership passed
199: ok 14981 # correct SSSR count
199: ok 14982 # ring membership passed
199: ok 14983 # correct ring bond data
199: ok 14984 # correct ring bond data
199: ok 14985 # correct ring bond data
199: ok 14986 # correct ring bond data
199: ok 14987 # correct ring bond data
199: ok 14988 # correct ring bond data
199: ok 14989 # SSSR size matches reference
199: ok 14990 # correct SSSR count
199: ok 14991 # ring membership passed
199: ok 14992 # correct SSSR count
199: ok 14993 # ring membership passed
199: ok 14994 # correct SSSR count
199: ok 14995 # ring membership passed
199: ok 14996 # correct SSSR count
199: ok 14997 # ring membership passed
199: ok 14998 # correct SSSR count
199: ok 14999 # ring membership passed
199: ok 15000 # correct SSSR count
199: ok 15001 # ring membership passed
199: ok 15002 # correct ring bond data
199: ok 15003 # correct ring bond data
199: ok 15004 # correct ring bond data
199: ok 15005 # correct ring bond data
199: ok 15006 # correct ring bond data
199: ok 15007 # correct ring bond data
199: ok 15008 # SSSR size matches reference
199: ok 15009 # correct SSSR count
199: ok 15010 # ring membership passed
199: ok 15011 # correct SSSR count
199: ok 15012 # ring membership passed
199: ok 15013 # correct SSSR count
199: ok 15014 # ring membership passed
199: ok 15015 # correct SSSR count
199: ok 15016 # ring membership passed
199: ok 15017 # correct SSSR count
199: ok 15018 # ring membership passed
199: ok 15019 # correct SSSR count
199: ok 15020 # ring membership passed
199: ok 15021 # correct ring bond data
199: ok 15022 # correct ring bond data
199: ok 15023 # correct ring bond data
199: ok 15024 # correct ring bond data
199: ok 15025 # correct ring bond data
199: ok 15026 # SSSR size matches reference
199: ok 15027 # correct SSSR count
199: ok 15028 # ring membership passed
199: ok 15029 # correct SSSR count
199: ok 15030 # ring membership passed
199: ok 15031 # correct SSSR count
199: ok 15032 # ring membership passed
199: ok 15033 # correct SSSR count
199: ok 15034 # ring membership passed
199: ok 15035 # correct SSSR count
199: ok 15036 # ring membership passed
199: ok 15037 # correct ring bond data
199: ok 15038 # correct ring bond data
199: ok 15039 # correct ring bond data
199: ok 15040 # correct ring bond data
199: ok 15041 # correct ring bond data
199: ok 15042 # correct ring bond data
199: ok 15043 # correct ring bond data
199: ok 15044 # correct ring bond data
199: ok 15045 # correct ring bond data
199: ok 15046 # correct ring bond data
199: ok 15047 # correct ring bond data
199: ok 15048 # correct ring bond data
199: ok 15049 # correct ring bond data
199: ok 15050 # correct ring bond data
199: ok 15051 # correct ring bond data
199: ok 15052 # correct ring bond data
199: ok 15053 # correct ring bond data
199: ok 15054 # correct ring bond data
199: ok 15055 # correct ring bond data
199: ok 15056 # correct ring bond data
199: ok 15057 # correct ring bond data
199: ok 15058 # SSSR size matches reference
199: ok 15059 # correct SSSR count
199: ok 15060 # ring membership passed
199: ok 15061 # correct SSSR count
199: ok 15062 # ring membership passed
199: ok 15063 # correct SSSR count
199: ok 15064 # ring membership passed
199: ok 15065 # correct SSSR count
199: ok 15066 # ring membership passed
199: ok 15067 # correct SSSR count
199: ok 15068 # ring membership passed
199: ok 15069 # correct SSSR count
199: ok 15070 # ring membership passed
199: ok 15071 # correct SSSR count
199: ok 15072 # ring membership passed
199: ok 15073 # correct SSSR count
199: ok 15074 # ring membership passed
199: ok 15075 # correct SSSR count
199: ok 15076 # ring membership passed
199: ok 15077 # correct SSSR count
199: ok 15078 # ring membership passed
199: ok 15079 # correct SSSR count
199: ok 15080 # ring membership passed
199: ok 15081 # correct SSSR count
199: ok 15082 # ring membership passed
199: ok 15083 # correct SSSR count
199: ok 15084 # ring membership passed
199: ok 15085 # correct SSSR count
199: ok 15086 # ring membership passed
199: ok 15087 # correct SSSR count
199: ok 15088 # ring membership passed
199: ok 15089 # correct SSSR count
199: ok 15090 # ring membership passed
199: ok 15091 # correct SSSR count
199: ok 15092 # ring membership passed
199: ok 15093 # correct SSSR count
199: ok 15094 # ring membership passed
199: ok 15095 # correct ring bond data
199: ok 15096 # correct ring bond data
199: ok 15097 # correct ring bond data
199: ok 15098 # correct ring bond data
199: ok 15099 # correct ring bond data
199: ok 15100 # correct ring bond data
199: ok 15101 # correct ring bond data
199: ok 15102 # correct ring bond data
199: ok 15103 # correct ring bond data
199: ok 15104 # correct ring bond data
199: ok 15105 # correct ring bond data
199: ok 15106 # correct ring bond data
199: ok 15107 # correct ring bond data
199: ok 15108 # correct ring bond data
199: ok 15109 # correct ring bond data
199: ok 15110 # correct ring bond data
199: ok 15111 # correct ring bond data
199: ok 15112 # correct ring bond data
199: ok 15113 # SSSR size matches reference
199: ok 15114 # correct SSSR count
199: ok 15115 # ring membership passed
199: ok 15116 # correct SSSR count
199: ok 15117 # ring membership passed
199: ok 15118 # correct SSSR count
199: ok 15119 # ring membership passed
199: ok 15120 # correct SSSR count
199: ok 15121 # ring membership passed
199: ok 15122 # correct SSSR count
199: ok 15123 # ring membership passed
199: ok 15124 # correct SSSR count
199: ok 15125 # ring membership passed
199: ok 15126 # correct SSSR count
199: ok 15127 # ring membership passed
199: ok 15128 # correct SSSR count
199: ok 15129 # ring membership passed
199: ok 15130 # correct SSSR count
199: ok 15131 # ring membership passed
199: ok 15132 # correct SSSR count
199: ok 15133 # ring membership passed
199: ok 15134 # correct SSSR count
199: ok 15135 # ring membership passed
199: ok 15136 # correct SSSR count
199: ok 15137 # ring membership passed
199: ok 15138 # correct SSSR count
199: ok 15139 # ring membership passed
199: ok 15140 # correct SSSR count
199: ok 15141 # ring membership passed
199: ok 15142 # correct SSSR count
199: ok 15143 # ring membership passed
199: ok 15144 # correct SSSR count
199: ok 15145 # ring membership passed
199: ok 15146 # correct ring bond data
199: ok 15147 # correct ring bond data
199: ok 15148 # correct ring bond data
199: ok 15149 # correct ring bond data
199: ok 15150 # correct ring bond data
199: ok 15151 # correct ring bond data
199: ok 15152 # correct ring bond data
199: ok 15153 # correct ring bond data
199: ok 15154 # correct ring bond data
199: ok 15155 # correct ring bond data
199: ok 15156 # correct ring bond data
199: ok 15157 # correct ring bond data
199: ok 15158 # correct ring bond data
199: ok 15159 # correct ring bond data
199: ok 15160 # correct ring bond data
199: ok 15161 # correct ring bond data
199: ok 15162 # correct ring bond data
199: ok 15163 # correct ring bond data
199: ok 15164 # correct ring bond data
199: ok 15165 # correct ring bond data
199: ok 15166 # correct ring bond data
199: ok 15167 # correct ring bond data
199: ok 15168 # SSSR size matches reference
199: ok 15169 # correct SSSR count
199: ok 15170 # ring membership passed
199: ok 15171 # correct SSSR count
199: ok 15172 # ring membership passed
199: ok 15173 # correct SSSR count
199: ok 15174 # ring membership passed
199: ok 15175 # correct SSSR count
199: ok 15176 # ring membership passed
199: ok 15177 # correct SSSR count
199: ok 15178 # ring membership passed
199: ok 15179 # correct SSSR count
199: ok 15180 # ring membership passed
199: ok 15181 # correct SSSR count
199: ok 15182 # ring membership passed
199: ok 15183 # correct SSSR count
199: ok 15184 # ring membership passed
199: ok 15185 # correct SSSR count
199: ok 15186 # ring membership passed
199: ok 15187 # correct SSSR count
199: ok 15188 # ring membership passed
199: ok 15189 # correct SSSR count
199: ok 15190 # ring membership passed
199: ok 15191 # correct SSSR count
199: ok 15192 # ring membership passed
199: ok 15193 # correct SSSR count
199: ok 15194 # ring membership passed
199: ok 15195 # correct SSSR count
199: ok 15196 # ring membership passed
199: ok 15197 # correct SSSR count
199: ok 15198 # ring membership passed
199: ok 15199 # correct SSSR count
199: ok 15200 # ring membership passed
199: ok 15201 # correct SSSR count
199: ok 15202 # ring membership passed
199: ok 15203 # correct SSSR count
199: ok 15204 # ring membership passed
199: ok 15205 # correct SSSR count
199: ok 15206 # ring membership passed
199: ok 15207 # correct ring bond data
199: ok 15208 # correct ring bond data
199: ok 15209 # correct ring bond data
199: ok 15210 # correct ring bond data
199: ok 15211 # correct ring bond data
199: ok 15212 # correct ring bond data
199: ok 15213 # correct ring bond data
199: ok 15214 # correct ring bond data
199: ok 15215 # correct ring bond data
199: ok 15216 # correct ring bond data
199: ok 15217 # correct ring bond data
199: ok 15218 # correct ring bond data
199: ok 15219 # correct ring bond data
199: ok 15220 # correct ring bond data
199: ok 15221 # correct ring bond data
199: ok 15222 # correct ring bond data
199: ok 15223 # correct ring bond data
199: ok 15224 # correct ring bond data
199: ok 15225 # correct ring bond data
199: ok 15226 # correct ring bond data
199: ok 15227 # correct ring bond data
199: ok 15228 # correct ring bond data
199: ok 15229 # SSSR size matches reference
199: ok 15230 # correct SSSR count
199: ok 15231 # ring membership passed
199: ok 15232 # correct SSSR count
199: ok 15233 # ring membership passed
199: ok 15234 # correct SSSR count
199: ok 15235 # ring membership passed
199: ok 15236 # correct SSSR count
199: ok 15237 # ring membership passed
199: ok 15238 # correct SSSR count
199: ok 15239 # ring membership passed
199: ok 15240 # correct SSSR count
199: ok 15241 # ring membership passed
199: ok 15242 # correct SSSR count
199: ok 15243 # ring membership passed
199: ok 15244 # correct SSSR count
199: ok 15245 # ring membership passed
199: ok 15246 # correct SSSR count
199: ok 15247 # ring membership passed
199: ok 15248 # correct SSSR count
199: ok 15249 # ring membership passed
199: ok 15250 # correct SSSR count
199: ok 15251 # ring membership passed
199: ok 15252 # correct SSSR count
199: ok 15253 # ring membership passed
199: ok 15254 # correct SSSR count
199: ok 15255 # ring membership passed
199: ok 15256 # correct SSSR count
199: ok 15257 # ring membership passed
199: ok 15258 # correct SSSR count
199: ok 15259 # ring membership passed
199: ok 15260 # correct SSSR count
199: ok 15261 # ring membership passed
199: ok 15262 # correct SSSR count
199: ok 15263 # ring membership passed
199: ok 15264 # correct SSSR count
199: ok 15265 # ring membership passed
199: ok 15266 # correct SSSR count
199: ok 15267 # ring membership passed
199: ok 15268 # correct ring bond data
199: ok 15269 # correct ring bond data
199: ok 15270 # correct ring bond data
199: ok 15271 # correct ring bond data
199: ok 15272 # correct ring bond data
199: ok 15273 # correct ring bond data
199: ok 15274 # correct ring bond data
199: ok 15275 # correct ring bond data
199: ok 15276 # correct ring bond data
199: ok 15277 # correct ring bond data
199: ok 15278 # correct ring bond data
199: ok 15279 # correct ring bond data
199: ok 15280 # correct ring bond data
199: ok 15281 # correct ring bond data
199: ok 15282 # correct ring bond data
199: ok 15283 # correct ring bond data
199: ok 15284 # correct ring bond data
199: ok 15285 # correct ring bond data
199: ok 15286 # correct ring bond data
199: ok 15287 # correct ring bond data
199: ok 15288 # correct ring bond data
199: ok 15289 # SSSR size matches reference
199: ok 15290 # correct SSSR count
199: ok 15291 # ring membership passed
199: ok 15292 # correct SSSR count
199: ok 15293 # ring membership passed
199: ok 15294 # correct SSSR count
199: ok 15295 # ring membership passed
199: ok 15296 # correct SSSR count
199: ok 15297 # ring membership passed
199: ok 15298 # correct SSSR count
199: ok 15299 # ring membership passed
199: ok 15300 # correct SSSR count
199: ok 15301 # ring membership passed
199: ok 15302 # correct SSSR count
199: ok 15303 # ring membership passed
199: ok 15304 # correct SSSR count
199: ok 15305 # ring membership passed
199: ok 15306 # correct SSSR count
199: ok 15307 # ring membership passed
199: ok 15308 # correct SSSR count
199: ok 15309 # ring membership passed
199: ok 15310 # correct SSSR count
199: ok 15311 # ring membership passed
199: ok 15312 # correct SSSR count
199: ok 15313 # ring membership passed
199: ok 15314 # correct SSSR count
199: ok 15315 # ring membership passed
199: ok 15316 # correct SSSR count
199: ok 15317 # ring membership passed
199: ok 15318 # correct SSSR count
199: ok 15319 # ring membership passed
199: ok 15320 # correct SSSR count
199: ok 15321 # ring membership passed
199: ok 15322 # correct SSSR count
199: ok 15323 # ring membership passed
199: ok 15324 # correct SSSR count
199: ok 15325 # ring membership passed
199: ok 15326 # correct ring bond data
199: ok 15327 # correct ring bond data
199: ok 15328 # correct ring bond data
199: ok 15329 # correct ring bond data
199: ok 15330 # correct ring bond data
199: ok 15331 # correct ring bond data
199: ok 15332 # correct ring bond data
199: ok 15333 # correct ring bond data
199: ok 15334 # correct ring bond data
199: ok 15335 # correct ring bond data
199: ok 15336 # correct ring bond data
199: ok 15337 # correct ring bond data
199: ok 15338 # correct ring bond data
199: ok 15339 # correct ring bond data
199: ok 15340 # correct ring bond data
199: ok 15341 # correct ring bond data
199: ok 15342 # correct ring bond data
199: ok 15343 # correct ring bond data
199: ok 15344 # SSSR size matches reference
199: ok 15345 # correct SSSR count
199: ok 15346 # ring membership passed
199: ok 15347 # correct SSSR count
199: ok 15348 # ring membership passed
199: ok 15349 # correct SSSR count
199: ok 15350 # ring membership passed
199: ok 15351 # correct SSSR count
199: ok 15352 # ring membership passed
199: ok 15353 # correct SSSR count
199: ok 15354 # ring membership passed
199: ok 15355 # correct SSSR count
199: ok 15356 # ring membership passed
199: ok 15357 # correct SSSR count
199: ok 15358 # ring membership passed
199: ok 15359 # correct SSSR count
199: ok 15360 # ring membership passed
199: ok 15361 # correct SSSR count
199: ok 15362 # ring membership passed
199: ok 15363 # correct SSSR count
199: ok 15364 # ring membership passed
199: ok 15365 # correct SSSR count
199: ok 15366 # ring membership passed
199: ok 15367 # correct SSSR count
199: ok 15368 # ring membership passed
199: ok 15369 # correct SSSR count
199: ok 15370 # ring membership passed
199: ok 15371 # correct SSSR count
199: ok 15372 # ring membership passed
199: ok 15373 # correct SSSR count
199: ok 15374 # ring membership passed
199: ok 15375 # correct SSSR count
199: ok 15376 # ring membership passed
199: ok 15377 # correct ring bond data
199: ok 15378 # correct ring bond data
199: ok 15379 # correct ring bond data
199: ok 15380 # correct ring bond data
199: ok 15381 # correct ring bond data
199: ok 15382 # correct ring bond data
199: ok 15383 # correct ring bond data
199: ok 15384 # correct ring bond data
199: ok 15385 # correct ring bond data
199: ok 15386 # correct ring bond data
199: ok 15387 # correct ring bond data
199: ok 15388 # correct ring bond data
199: ok 15389 # correct ring bond data
199: ok 15390 # correct ring bond data
199: ok 15391 # correct ring bond data
199: ok 15392 # correct ring bond data
199: ok 15393 # SSSR size matches reference
199: ok 15394 # correct SSSR count
199: ok 15395 # ring membership passed
199: ok 15396 # correct SSSR count
199: ok 15397 # ring membership passed
199: ok 15398 # correct SSSR count
199: ok 15399 # ring membership passed
199: ok 15400 # correct SSSR count
199: ok 15401 # ring membership passed
199: ok 15402 # correct SSSR count
199: ok 15403 # ring membership passed
199: ok 15404 # correct SSSR count
199: ok 15405 # ring membership passed
199: ok 15406 # correct SSSR count
199: ok 15407 # ring membership passed
199: ok 15408 # correct SSSR count
199: ok 15409 # ring membership passed
199: ok 15410 # correct SSSR count
199: ok 15411 # ring membership passed
199: ok 15412 # correct SSSR count
199: ok 15413 # ring membership passed
199: ok 15414 # correct SSSR count
199: ok 15415 # ring membership passed
199: ok 15416 # correct SSSR count
199: ok 15417 # ring membership passed
199: ok 15418 # correct SSSR count
199: ok 15419 # ring membership passed
199: ok 15420 # correct SSSR count
199: ok 15421 # ring membership passed
199: ok 15422 # correct SSSR count
199: ok 15423 # ring membership passed
199: ok 15424 # correct ring bond data
199: ok 15425 # correct ring bond data
199: ok 15426 # correct ring bond data
199: ok 15427 # correct ring bond data
199: ok 15428 # correct ring bond data
199: ok 15429 # correct ring bond data
199: ok 15430 # correct ring bond data
199: ok 15431 # correct ring bond data
199: ok 15432 # correct ring bond data
199: ok 15433 # correct ring bond data
199: ok 15434 # correct ring bond data
199: ok 15435 # correct ring bond data
199: ok 15436 # correct ring bond data
199: ok 15437 # correct ring bond data
199: ok 15438 # correct ring bond data
199: ok 15439 # correct ring bond data
199: ok 15440 # correct ring bond data
199: ok 15441 # correct ring bond data
199: ok 15442 # correct ring bond data
199: ok 15443 # SSSR size matches reference
199: ok 15444 # correct SSSR count
199: ok 15445 # ring membership passed
199: ok 15446 # correct SSSR count
199: ok 15447 # ring membership passed
199: ok 15448 # correct SSSR count
199: ok 15449 # ring membership passed
199: ok 15450 # correct SSSR count
199: ok 15451 # ring membership passed
199: ok 15452 # correct SSSR count
199: ok 15453 # ring membership passed
199: ok 15454 # correct SSSR count
199: ok 15455 # ring membership passed
199: ok 15456 # correct SSSR count
199: ok 15457 # ring membership passed
199: ok 15458 # correct SSSR count
199: ok 15459 # ring membership passed
199: ok 15460 # correct SSSR count
199: ok 15461 # ring membership passed
199: ok 15462 # correct SSSR count
199: ok 15463 # ring membership passed
199: ok 15464 # correct SSSR count
199: ok 15465 # ring membership passed
199: ok 15466 # correct SSSR count
199: ok 15467 # ring membership passed
199: ok 15468 # correct SSSR count
199: ok 15469 # ring membership passed
199: ok 15470 # correct SSSR count
199: ok 15471 # ring membership passed
199: ok 15472 # correct SSSR count
199: ok 15473 # ring membership passed
199: ok 15474 # correct SSSR count
199: ok 15475 # ring membership passed
199: ok 15476 # correct SSSR count
199: ok 15477 # ring membership passed
199: ok 15478 # correct ring bond data
199: ok 15479 # correct ring bond data
199: ok 15480 # correct ring bond data
199: ok 15481 # correct ring bond data
199: ok 15482 # correct ring bond data
199: ok 15483 # correct ring bond data
199: ok 15484 # correct ring bond data
199: ok 15485 # correct ring bond data
199: ok 15486 # correct ring bond data
199: ok 15487 # correct ring bond data
199: ok 15488 # correct ring bond data
199: ok 15489 # correct ring bond data
199: ok 15490 # SSSR size matches reference
199: ok 15491 # correct SSSR count
199: ok 15492 # ring membership passed
199: ok 15493 # correct SSSR count
199: ok 15494 # ring membership passed
199: ok 15495 # correct SSSR count
199: ok 15496 # ring membership passed
199: ok 15497 # correct SSSR count
199: ok 15498 # ring membership passed
199: ok 15499 # correct SSSR count
199: ok 15500 # ring membership passed
199: ok 15501 # correct SSSR count
199: ok 15502 # ring membership passed
199: ok 15503 # correct SSSR count
199: ok 15504 # ring membership passed
199: ok 15505 # correct SSSR count
199: ok 15506 # ring membership passed
199: ok 15507 # correct SSSR count
199: ok 15508 # ring membership passed
199: ok 15509 # correct SSSR count
199: ok 15510 # ring membership passed
199: ok 15511 # correct SSSR count
199: ok 15512 # ring membership passed
199: ok 15513 # correct ring bond data
199: ok 15514 # correct ring bond data
199: ok 15515 # correct ring bond data
199: ok 15516 # correct ring bond data
199: ok 15517 # correct ring bond data
199: ok 15518 # correct ring bond data
199: ok 15519 # correct ring bond data
199: ok 15520 # correct ring bond data
199: ok 15521 # correct ring bond data
199: ok 15522 # correct ring bond data
199: ok 15523 # correct ring bond data
199: ok 15524 # correct ring bond data
199: ok 15525 # correct ring bond data
199: ok 15526 # correct ring bond data
199: ok 15527 # correct ring bond data
199: ok 15528 # correct ring bond data
199: ok 15529 # correct ring bond data
199: ok 15530 # correct ring bond data
199: ok 15531 # correct ring bond data
199: ok 15532 # correct ring bond data
199: ok 15533 # correct ring bond data
199: ok 15534 # correct ring bond data
199: ok 15535 # SSSR size matches reference
199: ok 15536 # correct SSSR count
199: ok 15537 # ring membership passed
199: ok 15538 # correct SSSR count
199: ok 15539 # ring membership passed
199: ok 15540 # correct SSSR count
199: ok 15541 # ring membership passed
199: ok 15542 # correct SSSR count
199: ok 15543 # ring membership passed
199: ok 15544 # correct SSSR count
199: ok 15545 # ring membership passed
199: ok 15546 # correct SSSR count
199: ok 15547 # ring membership passed
199: ok 15548 # correct SSSR count
199: ok 15549 # ring membership passed
199: ok 15550 # correct SSSR count
199: ok 15551 # ring membership passed
199: ok 15552 # correct SSSR count
199: ok 15553 # ring membership passed
199: ok 15554 # correct SSSR count
199: ok 15555 # ring membership passed
199: ok 15556 # correct SSSR count
199: ok 15557 # ring membership passed
199: ok 15558 # correct SSSR count
199: ok 15559 # ring membership passed
199: ok 15560 # correct SSSR count
199: ok 15561 # ring membership passed
199: ok 15562 # correct SSSR count
199: ok 15563 # ring membership passed
199: ok 15564 # correct SSSR count
199: ok 15565 # ring membership passed
199: ok 15566 # correct SSSR count
199: ok 15567 # ring membership passed
199: ok 15568 # correct SSSR count
199: ok 15569 # ring membership passed
199: ok 15570 # correct SSSR count
199: ok 15571 # ring membership passed
199: ok 15572 # correct SSSR count
199: ok 15573 # ring membership passed
199: ok 15574 # correct ring bond data
199: ok 15575 # correct ring bond data
199: ok 15576 # correct ring bond data
199: ok 15577 # correct ring bond data
199: ok 15578 # correct ring bond data
199: ok 15579 # correct ring bond data
199: ok 15580 # correct ring bond data
199: ok 15581 # correct ring bond data
199: ok 15582 # correct ring bond data
199: ok 15583 # correct ring bond data
199: ok 15584 # correct ring bond data
199: ok 15585 # correct ring bond data
199: ok 15586 # correct ring bond data
199: ok 15587 # correct ring bond data
199: ok 15588 # correct ring bond data
199: ok 15589 # correct ring bond data
199: ok 15590 # correct ring bond data
199: ok 15591 # correct ring bond data
199: ok 15592 # correct ring bond data
199: ok 15593 # correct ring bond data
199: ok 15594 # SSSR size matches reference
199: ok 15595 # correct SSSR count
199: ok 15596 # ring membership passed
199: ok 15597 # correct SSSR count
199: ok 15598 # ring membership passed
199: ok 15599 # correct SSSR count
199: ok 15600 # ring membership passed
199: ok 15601 # correct SSSR count
199: ok 15602 # ring membership passed
199: ok 15603 # correct SSSR count
199: ok 15604 # ring membership passed
199: ok 15605 # correct SSSR count
199: ok 15606 # ring membership passed
199: ok 15607 # correct SSSR count
199: ok 15608 # ring membership passed
199: ok 15609 # correct SSSR count
199: ok 15610 # ring membership passed
199: ok 15611 # correct SSSR count
199: ok 15612 # ring membership passed
199: ok 15613 # correct SSSR count
199: ok 15614 # ring membership passed
199: ok 15615 # correct SSSR count
199: ok 15616 # ring membership passed
199: ok 15617 # correct SSSR count
199: ok 15618 # ring membership passed
199: ok 15619 # correct SSSR count
199: ok 15620 # ring membership passed
199: ok 15621 # correct SSSR count
199: ok 15622 # ring membership passed
199: ok 15623 # correct SSSR count
199: ok 15624 # ring membership passed
199: ok 15625 # correct SSSR count
199: ok 15626 # ring membership passed
199: ok 15627 # correct SSSR count
199: ok 15628 # ring membership passed
199: ok 15629 # correct SSSR count
199: ok 15630 # ring membership passed
199: ok 15631 # correct SSSR count
199: ok 15632 # ring membership passed
199: ok 15633 # correct ring bond data
199: ok 15634 # correct ring bond data
199: ok 15635 # correct ring bond data
199: ok 15636 # correct ring bond data
199: ok 15637 # correct ring bond data
199: ok 15638 # correct ring bond data
199: ok 15639 # SSSR size matches reference
199: ok 15640 # correct SSSR count
199: ok 15641 # ring membership passed
199: ok 15642 # correct SSSR count
199: ok 15643 # ring membership passed
199: ok 15644 # correct SSSR count
199: ok 15645 # ring membership passed
199: ok 15646 # correct SSSR count
199: ok 15647 # ring membership passed
199: ok 15648 # correct SSSR count
199: ok 15649 # ring membership passed
199: ok 15650 # correct SSSR count
199: ok 15651 # ring membership passed
199: ok 15652 # correct SSSR count
199: ok 15653 # ring membership passed
199: ok 15654 # correct ring bond data
199: ok 15655 # correct ring bond data
199: ok 15656 # correct ring bond data
199: ok 15657 # correct ring bond data
199: ok 15658 # correct ring bond data
199: ok 15659 # correct ring bond data
199: ok 15660 # SSSR size matches reference
199: ok 15661 # correct SSSR count
199: ok 15662 # ring membership passed
199: ok 15663 # correct SSSR count
199: ok 15664 # ring membership passed
199: ok 15665 # correct SSSR count
199: ok 15666 # ring membership passed
199: ok 15667 # correct SSSR count
199: ok 15668 # ring membership passed
199: ok 15669 # correct SSSR count
199: ok 15670 # ring membership passed
199: ok 15671 # correct SSSR count
199: ok 15672 # ring membership passed
199: ok 15673 # correct SSSR count
199: ok 15674 # ring membership passed
199: ok 15675 # correct ring bond data
199: ok 15676 # correct ring bond data
199: ok 15677 # SSSR size matches reference
199: ok 15678 # correct SSSR count
199: ok 15679 # ring membership passed
199: ok 15680 # correct SSSR count
199: ok 15681 # ring membership passed
199: ok 15682 # correct SSSR count
199: ok 15683 # ring membership passed
199: 1..15683
191/219 Test  #62: test_lssr_2 ......................   Passed  167.27 sec
25: ==============================
25: *** Open Babel Error  in CalcCanonicalLabels
25:   maximum time exceeded...
25: ==============================
25: *** Open Babel Error  in CalcCanonicalLabels
25:   maximum time exceeded...
15: /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
204: # Unit tests for OBMol 
204: ok 1
204: ok 2!
204: ok 3!
204: ok 4!
204: ok 5!
204: 1..5
192/219 Test #204: test_cmlreadfile_1 ...............   Passed   79.38 sec
207: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
208: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
209: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
209: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testfastsearch.py:1: SyntaxWarning: invalid escape sequence '\P'
209:   """Test OpenBabel executables from Python
209: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testfastsearch.py:30: SyntaxWarning: invalid escape sequence '\C'
209:   smiles = """C12(C(N(C(=O)C)c3c2cccc3)=O)Nc2c(ccc(c2N1)OCCCC)OCCCC
209: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
209:   """Test OpenBabel executables from Python
209: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
209:   pat = "(-?\d.*) molecule(?:s?) converted"
209: .
209: ----------------------------------------------------------------------
209: Ran 1 test in 6.221s
209: 
209: OK
209: 
210: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testunique.py:1: SyntaxWarning: invalid escape sequence '\P'
211:   """Test OpenBabel executables from Python
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testunique.py:26: SyntaxWarning: invalid escape sequence '\F'
211:   self.smiles = """C	methane
211: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
211:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
211: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
211:   self.stdout = io.open(c2pread, 'rb', bufsize)
211: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
211:   self.stderr = io.open(errread, 'rb', bufsize)
211: .
211: ----------------------------------------------------------------------
211: Ran 1 test in 21.003s
211: 
211: OK
211: 
212: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
212: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testkekule.py:1: SyntaxWarning: invalid escape sequence '\P'
212:   """Test OpenBabel executables from Python
212: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
212:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
212: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
212:   self.stdout = io.open(c2pread, 'rb', bufsize)
212: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
212:   self.stderr = io.open(errread, 'rb', bufsize)
212: ...
212: ----------------------------------------------------------------------
212: Ran 3 tests in 43.612s
212: 
212: OK
212: 
213: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
213: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testpdbformat.py:1: SyntaxWarning: invalid escape sequence '\P'
213:   """Test OpenBabel executables from Python
213: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
213:   """Test OpenBabel executables from Python
213: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
213:   pat = "(-?\d.*) molecule(?:s?) converted"
213: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
213:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
213: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
213:   self.stdout = io.open(c2pread, 'rb', bufsize)
213: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
213:   self.stderr = io.open(errread, 'rb', bufsize)
213: .
213: ----------------------------------------------------------------------
213: Ran 1 test in 1.671s
213: 
213: OK
213: 
214: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fqt_h1d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fr5_tyu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fsz_oht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fu9_mp2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fut_h1s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fv5_541.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fv9_002.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fvc_888.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fvd_lia.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fwy_h64.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fxe_dr7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fxl_2al.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fxs_rda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fxu_bid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fyv_w72.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fzc_eop.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fzg_eob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fzi_dh3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fzk_eoz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g01_73q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g0e_cgq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g0g_sp0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g0h_sp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g1a_5hg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g1m_4hg.sdf
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171:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
171: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
171:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
171:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
171:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
171:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
171:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
171: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
171:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
171:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
171:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
171:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
171:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
171: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
171:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
171:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
171:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
171:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
171:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
171: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
171:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
171:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
171:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
171:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
171: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
171:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
171:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
171:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
171: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
171:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
171:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
171:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
171: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
171:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
171:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
171:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
171: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
171:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
171:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
171:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
171:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
171: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
171:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
171:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
171:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
171: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
171:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
171:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
171:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
171:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
171: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
171:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
171:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
171:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
171:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
171: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
171:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
171:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
171:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
171:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
171: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
171:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
171:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
171:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
171:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
171: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
171:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
171:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
171:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
171:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
171: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
171:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
171:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
171: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
171:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
171:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
171: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
171:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
171:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
171: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
171:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
171:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
171:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
171: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
171:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
171:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
171:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
171: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
171:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
171:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
171:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
171: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
171:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
171:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
171:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
171:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
171: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
171:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
171:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
171:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
171:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
171: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
171:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
171:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
171:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
171:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
171: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
171:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
171:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
171:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
171:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
171: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
171:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
171:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
171:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
171:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
171: ok 28 # gradients 
171: ok 29 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (-266.482, -479.694, -43.813)  (-266.456, -479.664, -43.790)  ( 0.01,  0.01,  0.05)
171:     bond    (-76.378, -83.328,   5.828)  (-76.359, -83.306,   5.843)  ( 0.03,  0.03,  0.27)
171:     angle   (-184.516, -391.126, -46.098)  (-184.508, -391.119, -46.091)  ( 0.00,  0.00,  0.02)
171:     torsion (  1.060,  -0.726,   1.536)  (  1.060,  -0.726,   1.536)  ( 0.02,  0.01,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.793,  -4.720,  -5.317)  ( -6.793,  -4.720,  -5.317)  ( 0.00,  0.00,  0.00)
171:     electro (  0.145,   0.206,   0.239)  (  0.145,   0.206,   0.239)  ( 0.00,  0.00,  0.00)
171:  2       (-132.059,  49.062, 150.864)  (-132.031,  49.085, 150.890)  ( 0.02,  0.05,  0.02)
171:     bond    ( -1.376,  30.055, -80.272)  ( -1.356,  30.069, -80.253)  ( 1.43,  0.04,  0.02)
171:     angle   (-124.451,  16.569, 235.148)  (-124.442,  16.579, 235.155)  ( 0.01,  0.06,  0.00)
171:     torsion ( -2.945,  -0.838,  -1.648)  ( -2.945,  -0.837,  -1.648)  ( 0.01,  0.03,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.377,   3.420,  -2.472)  ( -3.377,   3.420,  -2.472)  ( 0.00,  0.00,  0.00)
171:     electro (  0.090,  -0.145,   0.108)  (  0.090,  -0.145,   0.108)  ( 0.00,  0.00,  0.00)
171:  3       (110.160, 148.761, -292.810)  (110.190, 148.785, -292.785)  ( 0.03,  0.02,  0.01)
171:     bond    (  8.731,  23.950, -81.012)  (  8.753,  23.968, -80.997)  ( 0.25,  0.07,  0.02)
171:     angle   (101.841,  71.301, -240.322)  (101.848,  71.307, -240.312)  ( 0.01,  0.01,  0.00)
171:     torsion (  0.513,  51.059,  29.046)  (  0.513,  51.059,  29.046)  ( 0.00,  0.00,  0.00)
171:     oop     ( -2.509,   2.630,   4.705)  ( -2.509,   2.630,   4.704)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.594,  -0.021,  -5.411)  (  1.595,  -0.021,  -5.411)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.011,  -0.158,   0.186)  ( -0.011,  -0.158,   0.186)  ( 0.00,  0.00,  0.00)
171:  4       (-30.625, 274.618, 409.412)  (-30.601, 274.644, 409.441)  ( 0.08,  0.01,  0.01)
171:     bond    (-18.678,  45.805, 103.924)  (-18.662,  45.823, 103.946)  ( 0.09,  0.04,  0.02)
171:     angle   ( -9.785, 221.954, 301.672)  ( -9.776, 221.961, 301.679)  ( 0.08,  0.00,  0.00)
171:     torsion (  0.405,   0.933,  -0.441)  (  0.406,   0.934,  -0.440)  ( 0.01,  0.03,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.402,   6.262,   4.497)  ( -2.402,   6.263,   4.497)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.166,  -0.336,  -0.240)  ( -0.166,  -0.336,  -0.240)  ( 0.00,  0.00,  0.00)
171:  5       (-137.416, -531.065, -97.350)  (-137.384, -531.040, -97.333)  ( 0.02,  0.00,  0.02)
171:     bond    ( 88.506, -87.549,  -9.444)  ( 88.531, -87.530,  -9.433)  ( 0.03,  0.02,  0.12)
171:     angle   (-157.117, -341.106,  92.987)  (-157.111, -341.100,  92.994)  ( 0.00,  0.00,  0.01)
171:     torsion (-51.264, -122.036, -154.726)  (-51.263, -122.036, -154.727)  ( 0.00,  0.00,  0.00)
171:     oop     ( -1.611, -11.797, -24.093)  ( -1.610, -11.797, -24.093)  ( 0.01,  0.00,  0.00)
171:     vdw     (-15.854,  31.751,  -2.089)  (-15.853,  31.752,  -2.089)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.077,  -0.328,   0.014)  ( -0.077,  -0.328,   0.014)  ( 0.00,  0.00,  0.00)
171:  6       (245.381, 296.830,  31.668)  (245.414, 296.859,  31.682)  ( 0.01,  0.01,  0.04)
171:     bond    (-29.392, -55.954,  71.590)  (-29.364, -55.933,  71.598)  ( 0.09,  0.04,  0.01)
171:     angle   (185.102, 258.572, -102.084)  (185.107, 258.580, -102.079)  ( 0.00,  0.00,  0.00)
171:     torsion ( 62.393,  63.069,  66.961)  ( 62.393,  63.070,  66.961)  ( 0.00,  0.00,  0.00)
171:     oop     (  8.791,   9.410,  14.566)  (  8.791,   9.411,  14.567)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 18.952,  22.069, -19.310)  ( 18.952,  22.070, -19.310)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.465,  -0.337,  -0.055)  ( -0.465,  -0.337,  -0.055)  ( 0.00,  0.00,  0.00)
171:  7       (-401.813, -73.073,  28.170)  (-401.780, -73.042,  28.179)  ( 0.01,  0.04,  0.03)
171:     bond    (-149.923, -28.956,   2.127)  (-149.897, -28.932,   2.133)  ( 0.02,  0.08,  0.27)
171:     angle   (-208.356, -55.507,  -2.256)  (-208.351, -55.499,  -2.251)  ( 0.00,  0.01,  0.20)
171:     torsion (-70.028,  -4.287,  30.371)  (-70.028,  -4.286,  30.369)  ( 0.00,  0.00,  0.01)
171:     oop     (-12.729,   8.838,   8.229)  (-12.728,   8.838,   8.229)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 39.726,   6.305,  -9.508)  ( 39.727,   6.305,  -9.508)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.503,   0.533,  -0.794)  ( -0.503,   0.533,  -0.794)  ( 0.00,  0.00,  0.00)
171:  8       ( 89.558, -165.608, 378.995)  ( 89.583, -165.575, 379.011)  ( 0.03,  0.02,  0.00)
171:     bond    (-12.719, 127.733,  52.907)  (-12.701, 127.758,  52.919)  ( 0.14,  0.02,  0.02)
171:     angle   ( 59.540, -254.126, 333.740)  ( 59.549, -254.119, 333.744)  ( 0.01,  0.00,  0.00)
171:     torsion ( 16.921,   0.360, -13.615)  ( 16.921,   0.360, -13.616)  ( 0.00,  0.01,  0.01)
171:     oop     (  8.991,  -8.957,   3.518)  (  8.992,  -8.956,   3.518)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 17.205, -31.007,   3.025)  ( 17.205, -31.006,   3.025)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.381,   0.388,  -0.579)  ( -0.381,   0.388,  -0.579)  ( 0.00,  0.00,  0.00)
171:  9       (181.050, 212.936, -503.785)  (181.074, 212.952, -503.754)  ( 0.01,  0.01,  0.01)
171:     bond    ( 54.926,  21.639, -111.990)  ( 54.943,  21.649, -111.962)  ( 0.03,  0.05,  0.02)
171:     angle   (154.408, 215.364, -335.099)  (154.416, 215.371, -335.095)  ( 0.00,  0.00,  0.00)
171:     torsion (-22.776, -29.287, -77.090)  (-22.776, -29.288, -77.091)  ( 0.00,  0.00,  0.00)
171:     oop     ( 14.301,  11.997,  -6.900)  ( 14.301,  11.997,  -6.899)  ( 0.00,  0.00,  0.00)
171:     vdw     (-19.011,  -7.904,  28.441)  (-19.010,  -7.903,  28.441)  ( 0.00,  0.01,  0.00)
171:     electro ( -0.798,   1.127,  -1.148)  ( -0.798,   1.127,  -1.148)  ( 0.00,  0.00,  0.00)
171: 10       (-110.980, -89.621, 508.052)  (-110.951, -89.590, 508.066)  ( 0.03,  0.03,  0.00)
171:     bond    ( 59.114,  26.350,  -5.703)  ( 59.132,  26.376,  -5.692)  ( 0.03,  0.10,  0.19)
171:     angle   (-159.699, -148.196, 364.979)  (-159.690, -148.191, 364.982)  ( 0.01,  0.00,  0.00)
171:     torsion ( 26.353,  29.164, 110.319)  ( 26.353,  29.164, 110.319)  ( 0.00,  0.00,  0.00)
171:     oop     ( -4.165,   8.811,  20.079)  ( -4.165,   8.811,  20.079)  ( 0.00,  0.00,  0.00)
171:     vdw     (-32.950,  -5.653,  18.948)  (-32.949,  -5.652,  18.948)  ( 0.00,  0.00,  0.00)
171:     electro (  0.368,  -0.097,  -0.570)  (  0.368,  -0.097,  -0.570)  ( 0.00,  0.00,  0.00)
171: 11       ( 56.378,  -4.697, -170.713)  ( 56.403,  -4.667, -170.689)  ( 0.05,  0.64,  0.01)
171:     bond    (-90.846, -30.106,   8.396)  (-90.828, -30.087,   8.413)  ( 0.02,  0.07,  0.20)
171:     angle   (119.802,  13.861, -237.361)  (119.810,  13.871, -237.353)  ( 0.01,  0.07,  0.00)
171:     torsion ( 29.207,  14.568,  65.225)  ( 29.207,  14.568,  65.225)  ( 0.00,  0.00,  0.00)
171:     oop     ( -3.616,  -0.940,  -3.440)  ( -3.616,  -0.940,  -3.440)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.733,  -2.762,  -2.198)  (  1.733,  -2.762,  -2.198)  ( 0.00,  0.00,  0.00)
171:     electro (  0.097,   0.683,  -1.336)  (  0.097,   0.683,  -1.336)  ( 0.00,  0.00,  0.00)
171: 12       (180.244, -95.216, -388.464)  (180.269, -95.191, -388.435)  ( 0.01,  0.03,  0.01)
171:     bond    ( 50.891, -34.511, -102.084)  ( 50.909, -34.494, -102.063)  ( 0.04,  0.05,  0.02)
171:     angle   (129.592, -56.377, -281.676)  (129.599, -56.369, -281.668)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.461,   0.236,  -0.331)  ( -0.461,   0.236,  -0.331)  ( 0.01,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.263,  -4.446,  -3.428)  (  0.263,  -4.446,  -3.428)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.041,  -0.118,  -0.945)  ( -0.041,  -0.118,  -0.945)  ( 0.00,  0.00,  0.00)
171: 13       (177.159, -749.884, 357.327)  (177.174, -749.860, 357.355)  ( 0.01,  0.00,  0.01)
171:     bond    (-44.902, -130.055, 126.312)  (-44.885, -130.041, 126.343)  ( 0.04,  0.01,  0.02)
171:     angle   (216.616, -602.738, 233.791)  (216.618, -602.728, 233.790)  ( 0.00,  0.00,  0.00)
171:     torsion (  1.742, -11.601,  -8.917)  (  1.740, -11.601,  -8.919)  ( 0.13,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.733,  -4.260,   5.522)  (  3.734,  -4.260,   5.522)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.031,  -1.230,   0.619)  ( -0.031,  -1.230,   0.619)  ( 0.00,  0.00,  0.00)
171: 14       (-556.433, 545.313, 144.224)  (-556.456, 545.339, 144.202)  ( 0.00,  0.00,  0.02)
171:     bond    ( 81.201, 143.057, -90.224)  ( 81.207, 143.080, -90.217)  ( 0.01,  0.02,  0.01)
171:     angle   (-649.254, 403.667, 216.950)  (-649.268, 403.671, 216.934)  ( 0.00,  0.00,  0.01)
171:     torsion (  7.273,   2.361,  10.183)  (  7.258,   2.361,  10.170)  ( 0.20,  0.00,  0.13)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.736,  -4.191,   9.144)  (  4.736,  -4.190,   9.144)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.389,   0.418,  -1.830)  ( -0.389,   0.418,  -1.830)  ( 0.00,  0.00,  0.00)
171: 15       ( 76.350, 389.501, -193.205)  ( 76.358, 389.506, -193.187)  ( 0.01,  0.00,  0.01)
171:     bond    (-16.374,  -6.624, -25.478)  (-16.366,  -6.622, -25.460)  ( 0.05,  0.02,  0.07)
171:     angle   (100.420, 396.337, -167.640)  (100.420, 396.341, -167.641)  ( 0.00,  0.00,  0.00)
171:     torsion ( -2.927,   5.455,   0.463)  ( -2.927,   5.455,   0.463)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.167,   0.434,  -0.320)  ( -0.167,   0.434,  -0.319)  ( 0.00,  0.00,  0.00)
171:     electro ( -4.602,  -6.102,  -0.229)  ( -4.602,  -6.102,  -0.229)  ( 0.00,  0.00,  0.00)
171: 16       ( 78.937, 133.256, -20.896)  ( 78.950, 133.259, -20.894)  ( 0.02,  0.00,  0.01)
171:     bond    ( 57.660,  -9.711,  -1.294)  ( 57.674,  -9.710,  -1.293)  ( 0.02,  0.01,  0.02)
171:     angle   ( 24.213, 146.344, -19.060)  ( 24.213, 146.346, -19.059)  ( 0.00,  0.00,  0.01)
171:     torsion (  0.031,   0.059,   0.940)  (  0.031,   0.059,   0.940)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.860,  -3.336,  -1.462)  ( -2.860,  -3.336,  -1.462)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.107,  -0.099,  -0.020)  ( -0.107,  -0.099,  -0.020)  ( 0.00,  0.00,  0.00)
171: 17       ( 96.618, 110.889, -34.524)  ( 96.621, 110.897, -34.515)  ( 0.00,  0.01,  0.03)
171:     bond    (  0.060,  35.420,  37.564)  (  0.060,  35.427,  37.571)  ( 0.00,  0.02,  0.02)
171:     angle   ( 97.288,  76.300, -72.104)  ( 97.290,  76.301, -72.103)  ( 0.00,  0.00,  0.00)
171:     torsion ( -0.377,   0.283,  -0.266)  ( -0.377,   0.283,  -0.266)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.298,  -0.992,   0.292)  ( -0.298,  -0.992,   0.292)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.055,  -0.122,  -0.010)  ( -0.055,  -0.122,  -0.010)  ( 0.00,  0.00,  0.00)
171: 18       (152.532, 125.133,  49.263)  (152.534, 125.140,  49.273)  ( 0.00,  0.01,  0.02)
171:     bond    (  1.891,  37.018, -40.293)  (  1.892,  37.025, -40.286)  ( 0.01,  0.02,  0.02)
171:     angle   (152.656,  91.410,  91.178)  (152.658,  91.411,  91.179)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.516,  -0.455,  -0.394)  (  0.516,  -0.455,  -0.394)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.445,  -2.751,  -1.170)  ( -2.445,  -2.751,  -1.170)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.086,  -0.090,  -0.057)  ( -0.086,  -0.090,  -0.057)  ( 0.00,  0.00,  0.00)
171: 19       ( 33.598,  47.349,  77.603)  ( 33.602,  47.354,  77.613)  ( 0.01,  0.01,  0.01)
171:     bond    ( 19.727, -25.506,  49.933)  ( 19.729, -25.503,  49.943)  ( 0.01,  0.01,  0.02)
171:     angle   ( 16.295,  69.516,  29.060)  ( 16.297,  69.518,  29.061)  ( 0.01,  0.00,  0.00)
171:     torsion (  1.324,  -0.032,  -0.539)  (  1.324,  -0.032,  -0.539)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.715,   3.219,  -0.642)  ( -3.715,   3.219,  -0.642)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.034,   0.151,  -0.208)  ( -0.034,   0.151,  -0.208)  ( 0.00,  0.00,  0.00)
171: 20       ( 90.303,  55.220,  37.006)  ( 90.306,  55.226,  37.017)  ( 0.00,  0.01,  0.03)
171:     bond    (  0.943,  37.503,  57.728)  (  0.944,  37.507,  57.738)  ( 0.03,  0.01,  0.02)
171:     angle   ( 87.895,  16.775, -12.335)  ( 87.898,  16.776, -12.334)  ( 0.00,  0.01,  0.01)
171:     torsion (  0.010,   0.212,  -0.138)  (  0.010,   0.212,  -0.138)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.240,   0.796,  -8.184)  (  1.240,   0.796,  -8.184)  ( 0.02,  0.00,  0.00)
171:     electro (  0.215,  -0.065,  -0.065)  (  0.215,  -0.065,  -0.065)  ( 0.00,  0.00,  0.00)
171: 21       (-63.090, -43.510, -52.283)  (-63.085, -43.498, -52.281)  ( 0.01,  0.03,  0.00)
171:     bond    (-21.882, -53.796,   9.267)  (-21.880, -53.784,   9.268)  ( 0.01,  0.02,  0.01)
171:     angle   (-42.282,   6.801, -60.352)  (-42.280,   6.801, -60.350)  ( 0.01,  0.01,  0.00)
171:     torsion (  0.135,   0.242,   1.726)  (  0.135,   0.242,   1.726)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.898,   3.181,  -2.868)  (  0.899,   3.181,  -2.868)  ( 0.02,  0.00,  0.00)
171:     electro (  0.041,   0.062,  -0.056)  (  0.041,   0.062,  -0.056)  ( 0.00,  0.00,  0.00)
171: 22       (-26.831, -85.474, -162.750)  (-26.818, -85.471, -162.747)  ( 0.05,  0.00,  0.00)
171:     bond    ( 48.229, -13.904, -17.372)  ( 48.241, -13.903, -17.370)  ( 0.02,  0.01,  0.01)
171:     angle   (-75.013, -75.597, -147.824)  (-75.012, -75.596, -147.822)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.039,   0.436,  -0.240)  (  0.039,   0.436,  -0.240)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.104,   3.478,   2.557)  ( -0.104,   3.478,   2.557)  ( 0.00,  0.00,  0.00)
171:     electro (  0.018,   0.113,   0.128)  (  0.018,   0.113,   0.128)  ( 0.00,  0.00,  0.00)
171: 23       ( 33.747, -52.410, -106.699)  ( 33.750, -52.404, -106.689)  ( 0.01,  0.01,  0.01)
171:     bond    (-16.946,  27.100, -50.783)  (-16.944,  27.103, -50.773)  ( 0.01,  0.01,  0.02)
171:     angle   ( 51.568, -82.556, -61.278)  ( 51.570, -82.553, -61.278)  ( 0.00,  0.00,  0.00)
171:     torsion ( -0.261,  -0.133,   0.016)  ( -0.261,  -0.133,   0.016)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.764,   3.067,   5.256)  ( -0.764,   3.067,   5.256)  ( 0.00,  0.00,  0.00)
171:     electro (  0.149,   0.111,   0.090)  (  0.149,   0.111,   0.090)  ( 0.00,  0.00,  0.00)
171: 24       ( 49.461, -53.866, -118.082)  ( 49.465, -53.854, -118.079)  ( 0.01,  0.02,  0.00)
171:     bond    (-19.199, -42.597,  -7.004)  (-19.197, -42.585,  -7.004)  ( 0.01,  0.03,  0.01)
171:     angle   ( 70.070, -12.969, -113.206)  ( 70.072, -12.969, -113.204)  ( 0.00,  0.00,  0.00)
171:     torsion (  0.095,  -0.051,   0.051)  (  0.095,  -0.051,   0.051)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.554,   1.700,   1.922)  ( -1.554,   1.700,   1.922)  ( 0.00,  0.00,  0.00)
171:     electro (  0.049,   0.051,   0.155)  (  0.049,   0.051,   0.155)  ( 0.00,  0.00,  0.00)
171: 25       (-25.952,  20.240,  -3.550)  (-25.947,  20.250,  -3.547)  ( 0.02,  0.05,  0.09)
171:     bond    (  1.906,   3.328,  -1.859)  (  1.909,   3.337,  -1.856)  ( 0.15,  0.26,  0.15)
171:     angle   (-23.590,   6.922, -11.820)  (-23.588,   6.923, -11.820)  ( 0.01,  0.01,  0.00)
171:     torsion ( -5.397,  12.560,  17.032)  ( -5.397,  12.561,  17.032)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.943,  -3.058,  -6.468)  ( -0.943,  -3.058,  -6.468)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.851,   0.130,  -0.420)  (  1.851,   0.130,  -0.420)  ( 0.00,  0.00,  0.00)
171:     electro (  0.220,   0.357,  -0.016)  (  0.220,   0.357,  -0.016)  ( 0.00,  0.00,  0.00)
171: 26       ( 48.248, -41.655, -49.930)  ( 48.259, -41.652, -49.928)  ( 0.02,  0.01,  0.00)
171:     bond    (  9.516,   2.414,   4.595)  (  9.527,   2.415,   4.598)  ( 0.12,  0.03,  0.06)
171:     angle   ( -4.786, -23.109,  22.053)  ( -4.786, -23.107,  22.054)  ( 0.00,  0.01,  0.00)
171:     torsion ( 38.058, -14.848, -71.060)  ( 38.058, -14.848, -71.061)  ( 0.00,  0.00,  0.00)
171:     oop     (  4.587,  -5.572,  -6.578)  (  4.587,  -5.572,  -6.578)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.374,  -0.651,   0.336)  (  0.374,  -0.651,   0.336)  ( 0.00,  0.00,  0.00)
171:     electro (  0.499,   0.111,   0.724)  (  0.499,   0.111,   0.724)  ( 0.00,  0.00,  0.00)
171: 27       (-40.977,   7.509,  19.060)  (-40.974,   7.509,  19.074)  ( 0.01,  0.00,  0.07)
171:     bond    (  1.028,  -0.156,   4.309)  (  1.029,  -0.156,   4.323)  ( 0.07,  0.00,  0.32)
171:     angle   (-13.326,  32.552,   4.350)  (-13.325,  32.553,   4.350)  ( 0.01,  0.00,  0.00)
171:     torsion (-20.425, -20.126,   4.133)  (-20.425, -20.127,   4.133)  ( 0.00,  0.00,  0.00)
171:     oop     ( -8.448,  -5.700,   1.805)  ( -8.448,  -5.700,   1.805)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.589,   1.362,   3.138)  ( -0.589,   1.362,   3.138)  ( 0.00,  0.00,  0.00)
171:     electro (  0.783,  -0.423,   1.325)  (  0.783,  -0.423,   1.325)  ( 0.00,  0.00,  0.00)
171: 28       (-97.293, 158.369, -77.769)  (-97.282, 158.372, -77.764)  ( 0.01,  0.00,  0.01)
171:     bond    ( -9.367,  -1.702,   6.347)  ( -9.357,  -1.702,   6.352)  ( 0.10,  0.02,  0.07)
171:     angle   (-80.364, 143.566, -79.911)  (-80.363, 143.569, -79.911)  ( 0.00,  0.00,  0.00)
171:     torsion ( -6.084,  24.848,  -2.304)  ( -6.084,  24.848,  -2.303)  ( 0.00,  0.00,  0.01)
171:     oop     ( -2.651,  -5.664,  -5.423)  ( -2.651,  -5.664,  -5.423)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.654,  -3.117,   3.458)  (  1.654,  -3.117,   3.458)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.480,   0.438,   0.064)  ( -0.480,   0.438,   0.064)  ( 0.00,  0.00,  0.00)
171: 29       ( 46.424,  30.854,  66.418)  ( 46.435,  30.860,  66.421)  ( 0.02,  0.02,  0.00)
171:     bond    ( 61.542,  36.037,   8.889)  ( 61.552,  36.041,   8.890)  ( 0.02,  0.01,  0.01)
171:     angle   (-12.493,   3.768,  71.212)  (-12.492,   3.770,  71.214)  ( 0.01,  0.05,  0.00)
171:     torsion (  0.930,  -1.144,  -1.798)  (  0.930,  -1.144,  -1.798)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.446,  -8.200, -12.840)  ( -4.446,  -8.199, -12.840)  ( 0.00,  0.00,  0.00)
171:     electro (  0.892,   0.393,   0.955)  (  0.892,   0.393,   0.955)  ( 0.00,  0.00,  0.00)
171: 30       (-48.239,  25.591, 117.949)  (-48.237,  25.605, 117.952)  ( 0.00,  0.05,  0.00)
171:     bond    ( -6.792,  53.013,   9.932)  ( -6.792,  53.026,   9.933)  ( 0.01,  0.03,  0.01)
171:     angle   (-43.464, -26.225, 110.281)  (-43.462, -26.225, 110.283)  ( 0.00,  0.00,  0.00)
171:     torsion (  1.154,   0.032,   0.620)  (  1.154,   0.032,   0.620)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.846,  -1.353,  -3.547)  (  0.846,  -1.353,  -3.547)  ( 0.00,  0.00,  0.00)
171:     electro (  0.017,   0.124,   0.662)  (  0.017,   0.124,   0.662)  ( 0.00,  0.00,  0.00)
171: 31       (-56.565,  43.312, 101.137)  (-56.560,  43.315, 101.148)  ( 0.01,  0.01,  0.01)
171:     bond    ( 23.742, -12.645,  46.900)  ( 23.745, -12.644,  46.910)  ( 0.01,  0.01,  0.02)
171:     angle   (-81.124,  57.327,  56.513)  (-81.122,  57.329,  56.514)  ( 0.00,  0.00,  0.00)
171:     torsion ( -0.177,  -0.309,   0.007)  ( -0.177,  -0.309,   0.007)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.958,  -1.189,  -2.767)  (  0.958,  -1.189,  -2.767)  ( 0.00,  0.00,  0.00)
171:     electro (  0.037,   0.127,   0.484)  (  0.037,   0.127,   0.484)  ( 0.00,  0.00,  0.00)
171: 32       (-45.479,  41.742, 115.912)  (-45.466,  41.746, 115.915)  ( 0.03,  0.01,  0.00)
171:     bond    (-49.033, -17.444,  10.722)  (-49.021, -17.442,  10.722)  ( 0.02,  0.01,  0.01)
171:     angle   (  2.327,  59.493, 107.416)  (  2.327,  59.495, 107.418)  ( 0.01,  0.00,  0.00)
171:     torsion ( -0.160,   0.329,  -0.198)  ( -0.160,   0.329,  -0.198)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.559,  -0.627,  -2.586)  (  1.559,  -0.627,  -2.586)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.172,  -0.008,   0.558)  ( -0.172,  -0.008,   0.558)  ( 0.00,  0.00,  0.00)
171: 33       (293.648, -251.208, -276.812)  (293.638, -251.194, -276.821)  ( 0.00,  0.01,  0.00)
171:     bond    ( -6.169, -16.241,   7.214)  ( -6.167, -16.229,   7.216)  ( 0.03,  0.07,  0.03)
171:     angle   (299.894, -238.899, -280.972)  (299.888, -238.896, -280.978)  ( 0.00,  0.00,  0.00)
171:     torsion ( -4.857,  -0.334,  -4.901)  ( -4.862,  -0.334,  -4.905)  ( 0.10,  0.00,  0.10)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro (  4.779,   4.265,   1.847)  (  4.779,   4.265,   1.847)  ( 0.00,  0.00,  0.00)
171: ok 30 # gradients 
171: ok 31 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       ( -3.442, -19.470,  -1.727)  ( -3.415, -19.442,  -1.701)  ( 0.78,  0.14,  1.49)
171:     bond    (-12.046,  -1.217,  -1.927)  (-12.027,  -1.199,  -1.908)  ( 0.16,  1.52,  0.97)
171:     angle   (  7.238, -12.120,   0.945)  (  7.246, -12.112,   0.952)  ( 0.11,  0.07,  0.66)
171:     torsion (  0.582,  -6.068,  -1.073)  (  0.582,  -6.068,  -1.073)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.998,   0.178,   0.421)  (  0.998,   0.178,   0.421)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.214,  -0.242,  -0.093)  ( -0.214,  -0.242,  -0.093)  ( 0.00,  0.00,  0.00)
171:  2       (245.840, -11.757,  72.267)  (245.875, -11.718,  72.276)  ( 0.01,  0.33,  0.01)
171:     bond    ( 77.690,  69.207,  45.161)  ( 77.715,  69.238,  45.167)  ( 0.03,  0.04,  0.01)
171:     angle   (172.284, -82.905,  35.928)  (172.294, -82.898,  35.930)  ( 0.01,  0.01,  0.01)
171:     torsion (  2.384,   5.248, -10.001)  (  2.384,   5.248,  -9.999)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -7.633,  -2.172,  -2.491)  ( -7.633,  -2.172,  -2.491)  ( 0.00,  0.00,  0.00)
171:     electro (  1.115,  -1.134,   3.669)  (  1.115,  -1.134,   3.669)  ( 0.00,  0.00,  0.00)
171:  3       ( -5.078,   4.446,  -6.954)  ( -5.074,   4.459,  -6.952)  ( 0.07,  0.29,  0.03)
171:     bond    (  1.459,   4.293,  -0.351)  (  1.460,   4.305,  -0.351)  ( 0.10,  0.29,  0.00)
171:     angle   ( -2.925,   0.321,  -8.216)  ( -2.923,   0.322,  -8.214)  ( 0.07,  0.01,  0.03)
171:     torsion ( -0.484,   0.301,   1.681)  ( -0.484,   0.301,   1.681)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.960,  -0.223,  -0.119)  ( -3.960,  -0.223,  -0.119)  ( 0.00,  0.00,  0.00)
171:     electro (  0.833,  -0.247,   0.052)  (  0.833,  -0.247,   0.052)  ( 0.00,  0.00,  0.00)
171:  4       (  0.711,   2.002,  -4.913)  (  0.717,   2.008,  -4.907)  ( 0.45,  0.30,  0.13)
171:     bond    (  2.553,  -2.568,  -2.673)  (  2.558,  -2.564,  -2.668)  ( 0.18,  0.18,  0.19)
171:     angle   (  6.931,   6.816,   0.094)  (  6.933,   6.818,   0.096)  ( 0.02,  0.02,  0.01)
171:     torsion (  0.207,   1.182,  -0.937)  (  0.207,   1.182,  -0.937)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -8.964,  -2.417,  -1.160)  ( -8.963,  -2.417,  -1.160)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.017,  -1.011,  -0.237)  ( -0.017,  -1.011,  -0.237)  ( 0.00,  0.00,  0.00)
171:  5       ( -9.656,  -0.763,   3.225)  ( -9.654,  -0.760,   3.238)  ( 0.03,  0.25,  0.40)
171:     bond    (  0.268,  -0.904,   2.749)  (  0.268,  -0.902,   2.762)  ( 0.00,  0.12,  0.46)
171:     angle   ( -8.963,  -2.205,   0.150)  ( -8.960,  -2.203,   0.150)  ( 0.03,  0.08,  0.00)
171:     torsion ( -0.431,   3.040,   1.035)  ( -0.431,   3.040,   1.035)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.944,  -0.045,  -0.815)  ( -0.944,  -0.045,  -0.815)  ( 0.00,  0.00,  0.00)
171:     electro (  0.413,  -0.650,   0.106)  (  0.413,  -0.650,   0.106)  ( 0.00,  0.00,  0.00)
171:  6       (-36.959,  41.759,  10.918)  (-36.945,  41.776,  10.920)  ( 0.04,  0.04,  0.02)
171:     bond    (-35.916,  42.475,   9.669)  (-35.905,  42.491,   9.670)  ( 0.03,  0.04,  0.01)
171:     angle   ( 17.939,  12.987,   9.543)  ( 17.941,  12.988,   9.543)  ( 0.01,  0.01,  0.01)
171:     torsion ( -0.378,  -0.725,   1.780)  ( -0.378,  -0.725,   1.781)  ( 0.00,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-18.582, -23.931,  -9.878)  (-18.581, -23.931,  -9.877)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.021,  10.953,  -0.197)  ( -0.021,  10.953,  -0.197)  ( 0.00,  0.00,  0.00)
171:  7       (-199.429, 120.899, -77.246)  (-199.398, 120.930, -77.238)  ( 0.02,  0.03,  0.01)
171:     bond    ( 13.550, -89.413, -25.470)  ( 13.572, -89.390, -25.463)  ( 0.16,  0.03,  0.03)
171:     angle   (-210.716, 213.999, -68.344)  (-210.707, 214.006, -68.343)  ( 0.00,  0.00,  0.00)
171:     torsion ( -4.940,  -8.461,  21.084)  ( -4.940,  -8.461,  21.085)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  8.003,   3.819,   1.416)  (  8.003,   3.819,   1.416)  ( 0.00,  0.00,  0.00)
171:     electro ( -5.327,   0.956,  -5.932)  ( -5.327,   0.956,  -5.932)  ( 0.00,  0.00,  0.00)
171:  8       ( 17.829,  -6.420,  -8.233)  ( 17.839,  -6.411,  -8.232)  ( 0.06,  0.14,  0.02)
171:     bond    ( 11.126, -10.112,  -2.792)  ( 11.135, -10.104,  -2.792)  ( 0.08,  0.07,  0.02)
171:     angle   (  2.321,   2.490,   0.248)  (  2.323,   2.491,   0.248)  ( 0.07,  0.06,  0.02)
171:     torsion (  1.088,   3.350,  -7.788)  (  1.088,   3.350,  -7.788)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.125,  -0.148,  -0.002)  (  0.125,  -0.148,  -0.002)  ( 0.00,  0.00,  0.00)
171:     electro (  3.169,  -2.000,   2.101)  (  3.169,  -2.000,   2.101)  ( 0.00,  0.00,  0.00)
171:  9       (225.116, -321.223, 133.735)  (225.145, -321.196, 133.756)  ( 0.01,  0.01,  0.02)
171:     bond    ( -7.634, -53.638,  -8.757)  ( -7.613, -53.619,  -8.744)  ( 0.28,  0.04,  0.15)
171:     angle   (237.812, -267.792, 150.866)  (237.821, -267.785, 150.875)  ( 0.00,  0.00,  0.01)
171:     torsion ( -4.970,  -6.735, -10.679)  ( -4.970,  -6.735, -10.679)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.986,   8.543,   3.971)  (  1.986,   8.543,   3.971)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.078,  -1.601,  -1.667)  ( -2.078,  -1.601,  -1.667)  ( 0.00,  0.00,  0.00)
171: 10       ( 18.528, 116.935, -222.952)  ( 18.546, 116.955, -222.926)  ( 0.10,  0.02,  0.01)
171:     bond    (  2.883,  25.720,  65.467)  (  2.898,  25.734,  65.488)  ( 0.52,  0.05,  0.03)
171:     angle   (  6.976,  87.919, -281.200)  (  6.979,  87.924, -281.195)  ( 0.04,  0.01,  0.00)
171:     torsion ( -3.682,  -6.591, -12.371)  ( -3.682,  -6.591, -12.372)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.215,  13.749,   3.629)  ( 13.216,  13.749,   3.630)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.864,  -3.861,   1.523)  ( -0.864,  -3.861,   1.523)  ( 0.00,  0.00,  0.00)
171: 11       (-263.679, 218.198,  51.373)  (-263.650, 218.212,  51.399)  ( 0.01,  0.01,  0.05)
171:     bond    (-86.760,  50.952,  24.119)  (-86.735,  50.959,  24.136)  ( 0.03,  0.01,  0.07)
171:     angle   (-183.958, 105.187,  32.275)  (-183.954, 105.194,  32.283)  ( 0.00,  0.01,  0.03)
171:     torsion ( 11.442,  45.536, -10.233)  ( 11.442,  45.536, -10.232)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.258,   8.635,   3.973)  ( -4.258,   8.635,   3.973)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.145,   7.888,   1.239)  ( -0.145,   7.888,   1.239)  ( 0.00,  0.00,  0.00)
171: 12       ( 33.659, -29.203, -13.271)  ( 33.660, -29.198, -13.260)  ( 0.00,  0.02,  0.08)
171:     bond    ( -2.965, -10.550, -17.782)  ( -2.964, -10.546, -17.773)  ( 0.01,  0.03,  0.06)
171:     angle   ( 29.381, -16.906,   5.130)  ( 29.382, -16.904,   5.130)  ( 0.00,  0.01,  0.01)
171:     torsion (  2.468,  -2.830,   1.267)  (  2.468,  -2.830,   1.267)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.831,   3.273,  -1.575)  (  6.831,   3.273,  -1.575)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.057,  -2.191,  -0.311)  ( -2.057,  -2.191,  -0.311)  ( 0.00,  0.00,  0.00)
171: 13       ( 34.183, -87.299,  25.278)  ( 34.193, -87.289,  25.282)  ( 0.03,  0.01,  0.02)
171:     bond    ( 19.364, -72.216,  32.658)  ( 19.373, -72.208,  32.660)  ( 0.05,  0.01,  0.01)
171:     angle   ( 19.573, -26.239, -15.673)  ( 19.574, -26.237, -15.671)  ( 0.01,  0.01,  0.01)
171:     torsion ( -2.281,   5.380,  13.128)  ( -2.280,   5.380,  13.128)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.612,   3.838,  -4.037)  ( -2.611,   3.839,  -4.037)  ( 0.01,  0.00,  0.00)
171:     electro (  0.138,   1.937,  -0.798)  (  0.138,   1.937,  -0.798)  ( 0.00,  0.00,  0.00)
171: 14       (-146.962, -31.735,  70.658)  (-146.940, -31.723,  70.705)  ( 0.02,  0.04,  0.07)
171:     bond    ( 62.265,   2.720, -105.238)  ( 62.280,   2.728, -105.200)  ( 0.02,  0.27,  0.04)
171:     angle   (-199.845, -11.711, 169.340)  (-199.837, -11.707, 169.347)  ( 0.00,  0.04,  0.00)
171:     torsion ( -3.423, -15.710,   3.976)  ( -3.423, -15.710,   3.976)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -9.752,  -0.703,   4.859)  ( -9.752,  -0.703,   4.859)  ( 0.00,  0.00,  0.00)
171:     electro (  3.792,  -6.331,  -2.278)  (  3.792,  -6.331,  -2.278)  ( 0.00,  0.00,  0.00)
171: 15       ( 26.723,  -0.726, -10.858)  ( 26.726,  -0.714, -10.856)  ( 0.01,  0.94,  0.03)
171:     bond    ( -0.092,  -2.399,  -0.719)  ( -0.092,  -2.387,  -0.718)  ( 0.00,  0.53,  0.08)
171:     angle   ( 27.753,   2.469, -11.756)  ( 27.757,   2.469, -11.754)  ( 0.01,  0.01,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.584,   0.797,   0.768)  ( -2.584,   0.797,   0.768)  ( 0.00,  0.00,  0.00)
171:     electro (  1.645,  -1.594,   0.848)  (  1.645,  -1.594,   0.848)  ( 0.00,  0.00,  0.00)
171: 16       ( 62.434, -27.811,  26.947)  ( 62.438, -27.810,  26.973)  ( 0.01,  0.01,  0.10)
171:     bond    ( -3.261,  -2.027,  15.582)  ( -3.260,  -2.027,  15.608)  ( 0.03,  0.02,  0.16)
171:     angle   ( 64.819, -38.061,   8.596)  ( 64.821, -38.059,   8.596)  ( 0.00,  0.00,  0.00)
171:     torsion (  5.845,  10.205,   2.546)  (  5.845,  10.205,   2.546)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -9.040,  -0.891,   3.300)  ( -9.040,  -0.891,   3.300)  ( 0.00,  0.00,  0.00)
171:     electro (  4.070,   2.963,  -3.077)  (  4.070,   2.963,  -3.077)  ( 0.00,  0.00,  0.00)
171: 17       (-111.712, 155.037, -72.705)  (-111.687, 155.062, -72.679)  ( 0.02,  0.02,  0.03)
171:     bond    (-61.202,  38.262, -28.857)  (-61.186,  38.277, -28.840)  ( 0.03,  0.04,  0.06)
171:     angle   (-47.834, 110.585, -38.924)  (-47.825, 110.594, -38.915)  ( 0.02,  0.01,  0.02)
171:     torsion ( -2.088,   4.781,  -3.597)  ( -2.087,   4.781,  -3.597)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.438,   2.373,  -2.058)  ( -0.438,   2.373,  -2.058)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.150,  -0.964,   0.730)  ( -0.150,  -0.964,   0.730)  ( 0.00,  0.00,  0.00)
171: 18       ( 13.365, -88.460, -15.407)  ( 13.393, -88.432, -15.379)  ( 0.21,  0.03,  0.18)
171:     bond    ( 23.033, -22.454,  19.510)  ( 23.051, -22.435,  19.528)  ( 0.08,  0.08,  0.10)
171:     angle   ( -6.494, -32.659, -49.288)  ( -6.485, -32.649, -49.279)  ( 0.14,  0.03,  0.02)
171:     torsion ( -0.656, -30.683,  14.655)  ( -0.656, -30.683,  14.655)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.375,  -3.297,  -0.779)  (  2.376,  -3.297,  -0.779)  ( 0.01,  0.00,  0.01)
171:     electro ( -4.893,   0.633,   0.495)  ( -4.893,   0.633,   0.495)  ( 0.00,  0.00,  0.00)
171: 19       ( 47.130, -64.556, -23.523)  ( 47.157, -64.529, -23.496)  ( 0.06,  0.04,  0.11)
171:     bond    (  6.702,  -5.903, -10.312)  (  6.720,  -5.885, -10.294)  ( 0.28,  0.31,  0.18)
171:     angle   ( 35.929, -62.760,   8.488)  ( 35.937, -62.752,   8.496)  ( 0.02,  0.01,  0.09)
171:     torsion ( -4.275,  -1.779,  -0.880)  ( -4.275,  -1.779,  -0.880)  ( 0.00,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  8.580,   4.470, -19.699)  (  8.580,   4.470, -19.698)  ( 0.00,  0.00,  0.00)
171:     electro (  0.194,   1.417,  -1.119)  (  0.194,   1.417,  -1.119)  ( 0.00,  0.00,  0.00)
171: 20       ( 66.259,   1.063,  44.559)  ( 66.286,   1.090,  44.586)  ( 0.04,  2.51,  0.06)
171:     bond    ( 16.923,  12.912,  10.627)  ( 16.941,  12.930,  10.646)  ( 0.11,  0.14,  0.17)
171:     angle   ( 41.049, -17.605,  36.677)  ( 41.058, -17.597,  36.685)  ( 0.02,  0.04,  0.02)
171:     torsion (  4.433,  -3.963,  -2.662)  (  4.433,  -3.963,  -2.662)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.881,   8.342,   0.937)  (  3.882,   8.343,   0.937)  ( 0.00,  0.00,  0.01)
171:     electro ( -0.028,   1.377,  -1.020)  ( -0.028,   1.377,  -1.020)  ( 0.00,  0.00,  0.00)
171: 21       (161.649, -26.573, 179.307)  (161.666, -26.533, 179.332)  ( 0.01,  0.15,  0.01)
171:     bond    ( 94.358,  10.667, 108.046)  ( 94.370,  10.699, 108.064)  ( 0.01,  0.30,  0.02)
171:     angle   ( 77.084, -26.454,  48.484)  ( 77.089, -26.445,  48.490)  ( 0.01,  0.03,  0.01)
171:     torsion (  4.284,   1.677,  -0.546)  (  4.284,   1.677,  -0.545)  ( 0.01,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -9.887, -10.429,  18.556)  ( -9.887, -10.429,  18.557)  ( 0.00,  0.00,  0.00)
171:     electro ( -4.190,  -2.034,   4.766)  ( -4.190,  -2.034,   4.766)  ( 0.00,  0.00,  0.00)
171: 22       ( 16.326,  -2.093, -12.862)  ( 16.329,  -2.087, -12.851)  ( 0.02,  0.27,  0.09)
171:     bond    (  1.374,  -9.398, -16.143)  (  1.374,  -9.395, -16.132)  ( 0.01,  0.04,  0.06)
171:     angle   ( 13.409,   3.381,  -0.828)  ( 13.411,   3.383,  -0.828)  ( 0.02,  0.06,  0.05)
171:     torsion ( -2.701,   3.135,  -2.055)  ( -2.701,   3.135,  -2.056)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.563,   3.317,   4.624)  (  4.564,   3.317,   4.624)  ( 0.01,  0.00,  0.00)
171:     electro ( -0.319,  -2.527,   1.540)  ( -0.319,  -2.527,   1.540)  ( 0.00,  0.00,  0.00)
171: 23       (-128.902, -31.257, -143.473)  (-128.891, -31.236, -143.459)  ( 0.01,  0.07,  0.01)
171:     bond    (-109.862, -24.952, -130.010)  (-109.852, -24.937, -129.998)  ( 0.01,  0.06,  0.01)
171:     angle   (-20.264,   1.010, -19.757)  (-20.263,   1.015, -19.755)  ( 0.00,  0.53,  0.01)
171:     torsion ( -4.483,  -0.658,   3.897)  ( -4.482,  -0.658,   3.897)  ( 0.01,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.898,  -9.446,   3.735)  (  1.898,  -9.445,   3.735)  ( 0.00,  0.00,  0.00)
171:     electro (  3.808,   2.789,  -1.338)  (  3.808,   2.789,  -1.338)  ( 0.00,  0.00,  0.00)
171: 24       ( -8.341,   2.414,  -5.418)  ( -8.334,   2.421,  -5.413)  ( 0.09,  0.30,  0.08)
171:     bond    ( -6.765,   6.691,  -4.681)  ( -6.759,   6.697,  -4.679)  ( 0.09,  0.08,  0.06)
171:     angle   ( -5.987,  -8.347,  -3.300)  ( -5.986,  -8.345,  -3.298)  ( 0.02,  0.02,  0.05)
171:     torsion ( -0.111,   0.005,   0.168)  ( -0.111,   0.005,   0.168)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.529,   4.505,   1.876)  (  4.529,   4.505,   1.876)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.007,  -0.441,   0.519)  ( -0.007,  -0.441,   0.519)  ( 0.00,  0.00,  0.00)
171: 25       (-13.180,  -6.027,   0.187)  (-13.174,  -6.021,   0.194)  ( 0.04,  0.10,  0.14)
171:     bond    ( -6.492,  -6.842,   7.764)  ( -6.488,  -6.838,   7.769)  ( 0.06,  0.07,  0.07)
171:     angle   (-10.193,  -2.422, -10.642)  (-10.192,  -2.420, -10.641)  ( 0.01,  0.06,  0.01)
171:     torsion (  0.015,  -0.018,  -0.004)  (  0.015,  -0.018,  -0.004)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.489,   3.271,   2.934)  (  3.489,   3.271,   2.934)  ( 0.00,  0.00,  0.00)
171:     electro (  0.001,  -0.016,   0.136)  (  0.001,  -0.016,   0.136)  ( 0.00,  0.00,  0.00)
171: 26       ( -6.072,  -6.676, -11.912)  ( -6.068,  -6.669, -11.903)  ( 0.07,  0.10,  0.07)
171:     bond    (  4.340,  -7.274,  -8.578)  (  4.342,  -7.268,  -8.571)  ( 0.04,  0.07,  0.08)
171:     angle   (-14.802,  -2.793,  -5.131)  (-14.800,  -2.791,  -5.130)  ( 0.01,  0.05,  0.02)
171:     torsion ( -0.025,   0.231,  -0.209)  ( -0.025,   0.231,  -0.209)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.175,   3.216,   1.878)  (  4.175,   3.216,   1.878)  ( 0.00,  0.00,  0.00)
171:     electro (  0.239,  -0.056,   0.129)  (  0.239,  -0.056,   0.129)  ( 0.00,  0.00,  0.00)
171: 27       ( -7.930,   6.898,   0.377)  ( -7.923,   6.906,   0.381)  ( 0.10,  0.11,  0.16)
171:     bond    ( -7.674,   7.398,  -4.124)  ( -7.668,   7.404,  -4.122)  ( 0.08,  0.08,  0.05)
171:     angle   ( -4.404,   2.474,  12.635)  ( -4.403,   2.475,  12.637)  ( 0.02,  0.05,  0.02)
171:     torsion ( -0.939,  -0.873,   0.177)  ( -0.939,  -0.873,   0.177)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.164,  -1.720,  -8.316)  (  5.164,  -1.720,  -8.316)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.077,  -0.380,   0.004)  ( -0.077,  -0.380,   0.004)  ( 0.00,  0.00,  0.00)
171: 28       ( -1.673,  11.278,   8.469)  ( -1.664,  11.283,   8.474)  ( 0.50,  0.05,  0.06)
171:     bond    (  7.443,   5.640,   5.085)  (  7.450,   5.644,   5.088)  ( 0.09,  0.07,  0.06)
171:     angle   (-12.872,   8.560,   9.347)  (-12.871,   8.561,   9.348)  ( 0.01,  0.02,  0.02)
171:     torsion ( -0.163,   0.947,  -0.812)  ( -0.163,   0.947,  -0.812)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.057,  -3.384,  -5.345)  (  4.057,  -3.384,  -5.345)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.138,  -0.486,   0.195)  ( -0.138,  -0.486,   0.195)  ( 0.00,  0.00,  0.00)
171: 29       (-11.864,   1.706,  10.277)  (-11.860,   1.712,  10.285)  ( 0.04,  0.36,  0.08)
171:     bond    ( -6.333,  -7.421,   8.992)  ( -6.330,  -7.416,   8.999)  ( 0.05,  0.06,  0.07)
171:     angle   ( -7.898,  12.822,   5.013)  ( -7.897,  12.824,   5.014)  ( 0.02,  0.01,  0.02)
171:     torsion (  0.783,  -0.088,   0.479)  (  0.783,  -0.088,   0.479)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.664,  -3.431,  -4.196)  (  1.664,  -3.431,  -4.196)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.080,  -0.176,  -0.010)  ( -0.080,  -0.176,  -0.010)  ( 0.00,  0.00,  0.00)
171: 30       (  7.091,  27.558,   8.407)  (  7.093,  27.573,   8.409)  ( 0.03,  0.05,  0.02)
171:     bond    ( -5.489,  23.059,  -2.986)  ( -5.488,  23.073,  -2.985)  ( 0.02,  0.06,  0.01)
171:     angle   ( 17.936,   7.069,  21.658)  ( 17.937,   7.069,  21.659)  ( 0.01,  0.00,  0.01)
171:     torsion (  3.204,   0.402,  -2.785)  (  3.204,   0.402,  -2.785)  ( 0.01,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -8.559,  -2.971,  -7.481)  ( -8.559,  -2.971,  -7.481)  ( 0.00,  0.00,  0.00)
171: 31       (-22.391,  51.361, -14.964)  (-22.388,  51.382, -14.956)  ( 0.01,  0.04,  0.05)
171:     bond    (  6.860,  28.919,  15.644)  (  6.861,  28.939,  15.650)  ( 0.02,  0.07,  0.04)
171:     angle   (-41.399,  32.772, -42.455)  (-41.398,  32.773, -42.454)  ( 0.00,  0.00,  0.00)
171:     torsion ( -0.709,  -0.239,   0.753)  ( -0.709,  -0.239,   0.753)  ( 0.01,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.115, -10.092,   3.590)  (  3.115, -10.092,   3.590)  ( 0.00,  0.00,  0.00)
171:     electro (  9.743,   0.001,   7.505)  (  9.743,   0.001,   7.505)  ( 0.00,  0.00,  0.00)
171: ok 32 # gradients 
171: ok 33 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (  9.939,  -1.844,   0.003)  (  9.975,  -1.828,   0.032)  ( 0.36,  0.87,  0.01)
171:     bond    (  3.343,  -0.578,   0.071)  (  3.368,  -0.569,   0.092)  ( 0.74,  0.55,  0.15)
171:     angle   ( 31.094,  -5.861,  -0.074)  ( 31.105,  -5.859,  -0.069)  ( 0.03,  0.05,  0.04)
171:     torsion (  0.003,   0.006,  -0.008)  (  0.003,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
171:     oop     (  0.000,   0.002,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
171:     vdw     (-23.368,   4.375,   0.016)  (-23.367,   4.375,   0.016)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.134,   0.212,   0.001)  ( -1.134,   0.212,   0.001)  ( 0.00,  0.00,  0.00)
171:  2       ( 28.160,   0.299,   9.627)  ( 28.197,   0.315,   9.655)  ( 0.13,  0.47,  0.29)
171:     bond    ( 65.349, -12.154,   0.347)  ( 65.377, -12.146,   0.365)  ( 0.04,  0.07,  0.64)
171:     angle   (-20.964,   1.627,  -3.468)  (-20.956,   1.630,  -3.461)  ( 0.04,  0.21,  0.21)
171:     torsion ( -0.099,  -0.520,   0.342)  ( -0.099,  -0.517,   0.343)  ( 0.00,  0.18,  0.05)
171:     oop     ( -0.006,  -0.032,   0.021)  ( -0.006,  -0.031,   0.021)  ( 0.00,  0.00,  0.00)
171:     vdw     (-14.566,  12.237,  14.094)  (-14.566,  12.237,  14.095)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.554,  -0.858,  -1.709)  ( -1.554,  -0.858,  -1.709)  ( 0.00,  0.00,  0.00)
171:  3       (-45.505, -25.091, -54.783)  (-45.469, -25.075, -54.756)  ( 0.08,  0.06,  0.05)
171:     bond    (-27.912, -50.685, -84.497)  (-27.885, -50.676, -84.479)  ( 0.10,  0.02,  0.02)
171:     angle   (-31.895,  12.396,  11.675)  (-31.886,  12.399,  11.682)  ( 0.03,  0.03,  0.06)
171:     torsion (  0.506,   2.702,  -1.797)  (  0.507,   2.705,  -1.796)  ( 0.01,  0.12,  0.08)
171:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.729,  10.503,  19.852)  ( 13.730,  10.503,  19.852)  ( 0.00,  0.00,  0.00)
171:     electro (  0.064,  -0.017,  -0.009)  (  0.064,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
171:  4       (-100.866,  18.886,   0.220)  (-100.831,  18.902,   0.248)  ( 0.04,  0.09,  0.62)
171:     bond    (-146.522,  27.515,   0.261)  (-146.497,  27.525,   0.282)  ( 0.02,  0.03,  0.54)
171:     angle   ( 25.917,  -4.877,  -0.055)  ( 25.927,  -4.873,  -0.049)  ( 0.04,  0.08,  0.03)
171:     torsion ( -0.011,  -0.056,   0.029)  ( -0.011,  -0.053,   0.030)  ( 0.00,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 19.650,  -3.678,  -0.015)  ( 19.651,  -3.678,  -0.015)  ( 0.00,  0.00,  0.00)
171:     electro (  0.100,  -0.019,  -0.000)  (  0.100,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
171:  5       (-33.743,  39.837,  54.381)  (-33.706,  39.853,  54.408)  ( 0.11,  0.04,  0.05)
171:     bond    ( -7.951,  57.195,  84.198)  ( -7.923,  57.203,  84.216)  ( 0.35,  0.01,  0.02)
171:     angle   (-34.355,  -0.042, -11.650)  (-34.346,  -0.038, -11.643)  ( 0.02,  0.02,  0.06)
171:     torsion ( -0.473,  -2.543,   1.684)  ( -0.473,  -2.540,   1.686)  ( 0.01,  0.12,  0.08)
171:     oop     ( -0.002,  -0.010,   0.007)  ( -0.002,  -0.010,   0.007)  ( 0.00,  0.00,  0.00)
171:     vdw     (  8.972, -14.754, -19.867)  (  8.972, -14.754, -19.866)  ( 0.00,  0.00,  0.00)
171:     electro (  0.066,  -0.008,   0.009)  (  0.066,  -0.008,   0.009)  ( 0.00,  0.00,  0.00)
171:  6       ( 26.431, -10.762,  -9.864)  ( 26.468, -10.746,  -9.836)  ( 0.14,  0.15,  0.28)
171:     bond    ( 65.571, -12.525,  -0.673)  ( 65.598, -12.516,  -0.654)  ( 0.04,  0.07,  1.25)
171:     angle   (-20.069,   6.056,   3.500)  (-20.061,   6.059,   3.507)  ( 0.04,  0.05,  0.20)
171:     torsion (  0.082,   0.448,  -0.301)  (  0.082,   0.451,  -0.299)  ( 0.00,  0.16,  0.05)
171:     oop     (  0.006,   0.030,  -0.021)  (  0.006,   0.031,  -0.020)  ( 0.00,  0.00,  0.00)
171:     vdw     (-18.022,  -6.133, -14.081)  (-18.022,  -6.133, -14.080)  ( 0.00,  0.00,  0.00)
171:     electro ( -1.136,   1.362,   1.710)  ( -1.136,   1.362,   1.710)  ( 0.00,  0.00,  0.00)
171:  7       ( 43.541,  -7.873,  -0.219)  ( 43.576,  -7.844,  -0.204)  ( 0.08,  0.37,  0.33)
171:     bond    ( 62.966, -11.497,  -0.240)  ( 62.991, -11.476,  -0.232)  ( 0.04,  0.18,  0.18)
171:     angle   ( -8.473,   1.575,   0.022)  ( -8.463,   1.581,   0.026)  ( 0.12,  0.39,  0.01)
171:     torsion ( -0.001,  -0.004,   0.001)  ( -0.001,  -0.003,   0.004)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.001)  ( -0.000,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
171:     vdw     (-10.662,   2.000,  -0.002)  (-10.661,   2.000,  -0.001)  ( 0.01,  0.01,  0.00)
171:     electro ( -0.290,   0.054,   0.000)  ( -0.290,   0.054,   0.000)  ( 0.00,  0.00,  0.00)
171:  8       (-21.512,   8.533,  -2.211)  (-21.475,   8.561,  -2.197)  ( 0.17,  0.33,  0.64)
171:     bond    (-14.149, -11.677,   8.514)  (-14.120, -11.658,   8.521)  ( 0.20,  0.16,  0.08)
171:     angle   (  3.182, -11.624,   6.552)  (  3.190, -11.617,   6.555)  ( 0.26,  0.06,  0.04)
171:     torsion (  0.078,   0.413,   0.693)  (  0.078,   0.415,   0.697)  ( 0.00,  0.06,  0.28)
171:     oop     ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
171:     vdw     (-10.303,  31.921, -18.294)  (-10.303,  31.922, -18.294)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.319,  -0.494,   0.334)  ( -0.319,  -0.494,   0.334)  ( 0.00,  0.00,  0.00)
171:  9       ( 48.973,   3.976,  -7.897)  ( 49.009,   4.004,  -7.883)  ( 0.08,  0.71,  0.17)
171:     bond    ( 14.699, -28.406,  15.232)  ( 14.727, -28.387,  15.238)  ( 0.19,  0.07,  0.04)
171:     angle   ( 10.705,   7.865,  -5.884)  ( 10.713,   7.872,  -5.882)  ( 0.07,  0.09,  0.04)
171:     torsion ( -0.002,  -0.014,  -0.025)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.01)
171:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 23.330,  24.333, -17.077)  ( 23.331,  24.334, -17.077)  ( 0.00,  0.00,  0.00)
171:     electro (  0.241,   0.197,  -0.145)  (  0.241,   0.197,  -0.145)  ( 0.00,  0.00,  0.00)
171: 10       (-17.572,   3.303,   0.003)  (-17.551,   3.326,   0.014)  ( 0.12,  0.71,  0.00)
171:     bond    (-30.271,   5.697,  -0.018)  (-30.260,   5.718,  -0.010)  ( 0.04,  0.37,  0.01)
171:     angle   ( -9.557,   1.759,   0.022)  ( -9.549,   1.761,   0.022)  ( 0.09,  0.08,  0.00)
171:     torsion (  0.002,   0.010,   0.016)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 24.936,  -4.665,  -0.019)  ( 24.936,  -4.665,  -0.019)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.681,   0.502,   0.002)  ( -2.681,   0.502,   0.002)  ( 0.00,  0.00,  0.00)
171: 11       ( 43.607, -21.492,   7.803)  ( 43.645, -21.465,   7.816)  ( 0.09,  0.13,  0.17)
171:     bond    ( 23.408,  21.070, -15.181)  ( 23.439,  21.088, -15.174)  ( 0.13,  0.08,  0.04)
171:     angle   (  7.071, -11.144,   5.829)  (  7.078, -11.137,   5.832)  ( 0.11,  0.07,  0.04)
171:     torsion ( -0.004,  -0.020,  -0.035)  ( -0.004,  -0.019,  -0.031)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.002,  -0.004)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 12.978, -31.126,  17.049)  ( 12.978, -31.125,  17.049)  ( 0.00,  0.00,  0.00)
171:     electro (  0.154,  -0.270,   0.145)  (  0.154,  -0.270,   0.145)  ( 0.00,  0.00,  0.00)
171: 12       (-22.333,  -0.735,   2.460)  (-22.296,  -0.706,   2.474)  ( 0.16,  2.08,  0.57)
171:     bond    ( -8.286,  15.559,  -8.353)  ( -8.259,  15.579,  -8.346)  ( 0.33,  0.13,  0.08)
171:     angle   (  7.262,   9.568,  -6.515)  (  7.270,   9.575,  -6.513)  ( 0.12,  0.07,  0.04)
171:     torsion ( -0.075,  -0.398,  -0.671)  ( -0.075,  -0.397,  -0.667)  ( 0.00,  0.06,  0.27)
171:     oop     (  0.001,   0.007,   0.012)  (  0.001,   0.008,   0.013)  ( 0.00,  0.00,  0.00)
171:     vdw     (-21.116, -26.047,  18.320)  (-21.116, -26.047,  18.321)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.119,   0.576,  -0.333)  ( -0.119,   0.576,  -0.333)  ( 0.00,  0.00,  0.00)
171: 13       ( -3.438,  -4.662,   3.047)  ( -3.431,  -4.655,   3.051)  ( 0.21,  0.17,  0.14)
171:     bond    ( -3.155,  -3.471,   2.414)  ( -3.150,  -3.464,   2.417)  ( 0.16,  0.18,  0.12)
171:     angle   ( -1.327,   0.924,  -0.402)  ( -1.325,   0.925,  -0.401)  ( 0.16,  0.10,  0.01)
171:     torsion ( -0.010,  -0.054,  -0.092)  ( -0.010,  -0.054,  -0.091)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.656,  -1.568,   0.868)  (  0.656,  -1.568,   0.868)  ( 0.00,  0.00,  0.00)
171:     electro (  0.399,  -0.490,   0.264)  (  0.399,  -0.490,   0.264)  ( 0.00,  0.00,  0.00)
171: 14       ( -1.038,  -6.052,   3.764)  ( -1.032,  -6.042,   3.767)  ( 0.51,  0.16,  0.10)
171:     bond    (  1.964,  -3.904,   2.094)  (  1.966,  -3.895,   2.096)  ( 0.12,  0.24,  0.13)
171:     angle   ( -4.094,  -1.377,   1.278)  ( -4.091,  -1.377,   1.278)  ( 0.07,  0.03,  0.02)
171:     torsion (  0.005,   0.024,   0.041)  (  0.005,   0.025,   0.041)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.289,   0.109,  -0.100)  (  0.289,   0.109,  -0.100)  ( 0.00,  0.00,  0.00)
171:     electro (  0.800,  -0.904,   0.451)  (  0.800,  -0.904,   0.451)  ( 0.00,  0.00,  0.00)
171: 15       ( 39.547,  17.387,  40.717)  ( 39.575,  17.414,  40.744)  ( 0.07,  0.15,  0.07)
171:     bond    ( 13.148,  10.036,  18.899)  ( 13.166,  10.055,  18.918)  ( 0.14,  0.19,  0.10)
171:     angle   ( 18.212,   2.244,  10.544)  ( 18.220,   2.251,  10.551)  ( 0.05,  0.30,  0.07)
171:     torsion ( -0.087,  -0.474,   0.315)  ( -0.087,  -0.473,   0.315)  ( 0.00,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  7.697,   5.765,  11.093)  (  7.697,   5.765,  11.094)  ( 0.01,  0.00,  0.00)
171:     electro (  0.577,  -0.184,  -0.134)  (  0.577,  -0.184,  -0.134)  ( 0.00,  0.00,  0.00)
171: 16       (-21.609,   4.057,   0.045)  (-21.594,   4.059,   0.048)  ( 0.07,  0.05,  0.01)
171:     bond    ( -9.567,   1.788,   0.006)  ( -9.552,   1.789,   0.006)  ( 0.15,  0.03,  0.00)
171:     angle   (  0.003,   0.018,   0.026)  (  0.004,   0.019,   0.028)  ( 0.00,  0.00,  0.01)
171:     torsion ( -0.001,  -0.005,   0.003)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -8.832,   1.655,   0.008)  ( -8.832,   1.655,   0.008)  ( 0.00,  0.01,  0.00)
171:     electro ( -3.213,   0.602,   0.002)  ( -3.213,   0.602,   0.002)  ( 0.00,  0.00,  0.00)
171: 17       (-27.099,   9.944,   6.522)  (-27.093,   9.949,   6.531)  ( 0.02,  0.05,  0.14)
171:     bond    ( -2.971,   3.963,   5.094)  ( -2.968,   3.968,   5.102)  ( 0.09,  0.12,  0.15)
171:     angle   (  5.464,   0.715,   2.624)  (  5.467,   0.715,   2.625)  ( 0.05,  0.00,  0.02)
171:     torsion ( -0.047,  -0.247,   0.164)  ( -0.047,  -0.246,   0.164)  ( 0.00,  0.01,  0.00)
171:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
171:     vdw     (-34.109,   3.803,  -5.190)  (-34.108,   3.803,  -5.190)  ( 0.00,  0.00,  0.00)
171:     electro (  4.561,   1.700,   3.837)  (  4.561,   1.700,   3.837)  ( 0.00,  0.00,  0.00)
171: 18       ( 30.504, -30.620, -40.444)  ( 30.531, -30.594, -40.417)  ( 0.09,  0.09,  0.07)
171:     bond    (  8.498, -14.006, -18.729)  (  8.516, -13.988, -18.710)  ( 0.21,  0.13,  0.10)
171:     angle   ( 16.251,  -8.841, -10.464)  ( 16.259,  -8.834, -10.457)  ( 0.05,  0.08,  0.07)
171:     torsion (  0.079,   0.420,  -0.281)  (  0.079,   0.420,  -0.280)  ( 0.00,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  5.071,  -8.155, -11.104)  (  5.072,  -8.155, -11.103)  ( 0.01,  0.00,  0.00)
171:     electro (  0.605,  -0.037,   0.133)  (  0.605,  -0.037,   0.133)  ( 0.00,  0.00,  0.00)
171: 19       (-28.792,   0.611,  -6.408)  (-28.783,   0.615,  -6.399)  ( 0.03,  0.21,  0.14)
171:     bond    ( -4.128,  -2.571,  -5.000)  ( -4.122,  -2.569,  -4.992)  ( 0.13,  0.08,  0.16)
171:     angle   (  4.816,  -2.635,  -2.623)  (  4.818,  -2.635,  -2.623)  ( 0.04,  0.02,  0.02)
171:     torsion (  0.046,   0.249,  -0.167)  (  0.046,   0.250,  -0.167)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.011,   0.007)  ( 0.00,  0.00,  0.00)
171:     vdw     (-33.156,   8.814,   5.218)  (-33.155,   8.814,   5.218)  ( 0.00,  0.00,  0.00)
171:     electro (  3.632,  -3.234,  -3.843)  (  3.632,  -3.234,  -3.843)  ( 0.00,  0.00,  0.00)
171: 20       ( -1.417,   5.561,  -3.069)  ( -1.412,   5.572,  -3.065)  ( 0.32,  0.19,  0.14)
171:     bond    ( -1.679,   4.331,  -2.400)  ( -1.677,   4.341,  -2.397)  ( 0.09,  0.23,  0.13)
171:     angle   ( -1.475,  -0.360,   0.378)  ( -1.472,  -0.360,   0.379)  ( 0.21,  0.01,  0.01)
171:     torsion (  0.009,   0.049,   0.083)  (  0.009,   0.050,   0.084)  ( 0.00,  0.00,  0.01)
171:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.004)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.178,   1.225,  -0.870)  (  1.178,   1.225,  -0.870)  ( 0.01,  0.00,  0.00)
171:     electro (  0.549,   0.313,  -0.265)  (  0.549,   0.313,  -0.265)  ( 0.00,  0.00,  0.00)
171: 21       (  1.256,   6.103,  -3.821)  (  1.264,   6.110,  -3.817)  ( 0.66,  0.11,  0.10)
171:     bond    (  3.309,   2.985,  -2.153)  (  3.315,   2.991,  -2.151)  ( 0.19,  0.17,  0.12)
171:     angle   ( -3.351,   2.788,  -1.285)  ( -3.350,   2.790,  -1.284)  ( 0.06,  0.05,  0.02)
171:     torsion ( -0.003,  -0.018,  -0.030)  ( -0.003,  -0.017,  -0.029)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.230,  -0.206,   0.099)  (  0.230,  -0.206,   0.099)  ( 0.00,  0.00,  0.00)
171:     electro (  1.072,   0.553,  -0.452)  (  1.072,   0.553,  -0.452)  ( 0.00,  0.00,  0.00)
171: 22       (  4.183,   6.263,  -8.296)  (  4.188,   6.272,  -8.290)  ( 0.12,  0.14,  0.06)
171:     bond    ( -3.539,   5.280,  -3.647)  ( -3.536,   5.287,  -3.644)  ( 0.09,  0.14,  0.10)
171:     angle   (  8.074,  -0.673,  -8.814)  (  8.075,  -0.672,  -8.812)  ( 0.02,  0.08,  0.02)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.302,   1.409,   4.011)  ( -0.302,   1.409,   4.011)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.049,   0.248,   0.155)  ( -0.049,   0.248,   0.155)  ( 0.00,  0.00,  0.00)
171: 23       (  1.760,  -9.935,   3.608)  (  1.768,  -9.928,   3.612)  ( 0.42,  0.07,  0.11)
171:     bond    ( -4.804,  -4.755,   2.671)  ( -4.798,  -4.749,   2.673)  ( 0.13,  0.13,  0.07)
171:     angle   (  6.694,  -7.578,  -1.445)  (  6.695,  -7.577,  -1.443)  ( 0.02,  0.01,  0.14)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.003,   2.330,   2.074)  ( -0.003,   2.330,   2.074)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.127,   0.067,   0.308)  ( -0.127,   0.067,   0.308)  ( 0.00,  0.00,  0.00)
171: 24       ( 19.965,  -2.748,   0.181)  ( 19.972,  -2.743,   0.189)  ( 0.03,  0.18,  0.14)
171:     bond    (  4.537,  -3.942,  -5.382)  (  4.541,  -3.938,  -5.375)  ( 0.10,  0.09,  0.12)
171:     angle   (-13.992,  -2.615,  -9.907)  (-13.990,  -2.614,  -9.906)  ( 0.01,  0.06,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 30.374,   3.599,  15.457)  ( 30.375,   3.599,  15.457)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.954,   0.210,   0.013)  ( -0.954,   0.210,   0.013)  ( 0.00,  0.00,  0.00)
171: 25       (  1.717,  -7.297,   8.165)  (  1.725,  -7.292,   8.170)  ( 0.48,  0.07,  0.06)
171:     bond    ( -5.109,  -3.600,   3.593)  ( -5.102,  -3.596,   3.596)  ( 0.14,  0.10,  0.10)
171:     angle   (  7.750,  -2.293,   8.703)  (  7.751,  -2.291,   8.705)  ( 0.01,  0.08,  0.02)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.787,  -1.191,  -3.976)  ( -0.787,  -1.191,  -3.976)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.137,  -0.213,  -0.155)  ( -0.137,  -0.213,  -0.155)  ( 0.00,  0.00,  0.00)
171: 26       ( 19.499,  -4.596,  -0.325)  ( 19.508,  -4.593,  -0.317)  ( 0.05,  0.07,  0.25)
171:     bond    (  5.574,   2.012,   5.268)  (  5.581,   2.013,   5.275)  ( 0.13,  0.05,  0.12)
171:     angle   (-12.096,   7.610,   9.892)  (-12.095,   7.612,   9.894)  ( 0.01,  0.03,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 26.986, -14.368, -15.473)  ( 26.987, -14.368, -15.473)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.965,   0.151,  -0.012)  ( -0.965,   0.151,  -0.012)  ( 0.00,  0.00,  0.00)
171: 27       (  5.268,   8.549,  -3.580)  (  5.272,   8.559,  -3.576)  ( 0.07,  0.13,  0.11)
171:     bond    ( -2.739,   6.061,  -2.633)  ( -2.737,   6.071,  -2.631)  ( 0.08,  0.17,  0.07)
171:     angle   (  9.010,   4.695,   1.457)  (  9.012,   4.695,   1.459)  ( 0.02,  0.01,  0.14)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.860,  -2.190,  -2.096)  ( -0.860,  -2.190,  -2.096)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.142,  -0.017,  -0.308)  ( -0.142,  -0.017,  -0.308)  ( 0.00,  0.00,  0.00)
171: ok 34 # gradients 
171: ok 35 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (217.209, 187.514, 330.409)  (217.234, 187.528, 330.435)  ( 0.01,  0.01,  0.01)
171:     bond    (211.685, 155.105, 283.667)  (211.703, 155.111, 283.687)  ( 0.01,  0.00,  0.01)
171:     angle   ( -3.964,  51.185,  16.965)  ( -3.958,  51.192,  16.972)  ( 0.14,  0.01,  0.04)
171:     torsion ( -2.356, -23.585,  13.663)  ( -2.356, -23.584,  13.663)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  8.690,   6.517,  14.239)  (  8.691,   6.517,  14.240)  ( 0.00,  0.00,  0.00)
171:     electro (  3.155,  -1.708,   1.874)  (  3.155,  -1.708,   1.874)  ( 0.00,  0.00,  0.00)
171:  2       (-126.283,  23.279,  78.476)  (-126.255,  23.305,  78.505)  ( 0.02,  0.11,  0.04)
171:     bond    (-83.933,  34.546,  58.541)  (-83.914,  34.565,  58.559)  ( 0.02,  0.05,  0.03)
171:     angle   (-25.194, -15.507,  -5.861)  (-25.186, -15.499,  -5.852)  ( 0.03,  0.05,  0.16)
171:     torsion ( -0.848,   3.185,   0.882)  ( -0.847,   3.186,   0.883)  ( 0.01,  0.01,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-16.236,   0.628,  23.904)  (-16.236,   0.628,  23.905)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.073,   0.426,   1.009)  ( -0.073,   0.426,   1.009)  ( 0.00,  0.00,  0.00)
171:  3       (-101.376, -91.619,  80.919)  (-101.347, -91.592,  80.946)  ( 0.03,  0.03,  0.03)
171:     bond    (-54.446, -68.193,  60.016)  (-54.428, -68.175,  60.035)  ( 0.03,  0.03,  0.03)
171:     angle   (-20.728, -10.594,   8.671)  (-20.719, -10.586,   8.679)  ( 0.04,  0.08,  0.10)
171:     torsion ( -0.882,  -2.521,  -0.598)  ( -0.882,  -2.520,  -0.598)  ( 0.04,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-25.166, -10.358,  12.532)  (-25.165, -10.358,  12.532)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.154,   0.047,   0.298)  ( -0.154,   0.047,   0.298)  ( 0.00,  0.00,  0.00)
171:  4       ( -7.587,  36.159,  -0.492)  ( -7.564,  36.172,  -0.468)  ( 0.31,  0.04,  1.21)
171:     bond    (-11.839,  36.138,  -4.064)  (-11.823,  36.143,  -4.046)  ( 0.14,  0.01,  0.44)
171:     angle   ( 17.681,  -1.428,  19.899)  ( 17.688,  -1.421,  19.905)  ( 0.03,  0.51,  0.03)
171:     torsion ( -0.986,   6.062,   0.679)  ( -0.986,   6.063,   0.679)  ( 0.02,  0.01,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-11.762,  -4.223, -14.758)  (-11.761,  -4.223, -14.758)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.681,  -0.389,  -2.248)  ( -0.681,  -0.389,  -2.248)  ( 0.00,  0.00,  0.00)
171:  5       (113.406, -39.406, -104.121)  (113.433, -39.380, -104.093)  ( 0.02,  0.07,  0.03)
171:     bond    ( 80.632, -35.303, -58.525)  ( 80.651, -35.285, -58.507)  ( 0.02,  0.05,  0.03)
171:     angle   ( 14.870,  -2.308, -19.874)  ( 14.879,  -2.300, -19.865)  ( 0.06,  0.34,  0.05)
171:     torsion (  0.122,  -2.184,  -1.544)  (  0.123,  -2.184,  -1.543)  ( 0.00,  0.02,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 17.613,   0.250, -24.092)  ( 17.613,   0.250, -24.092)  ( 0.00,  0.00,  0.00)
171:     electro (  0.168,   0.139,  -0.086)  (  0.168,   0.139,  -0.086)  ( 0.00,  0.00,  0.00)
171:  6       ( 82.709,  70.383, -104.203)  ( 82.737,  70.410, -104.175)  ( 0.03,  0.04,  0.03)
171:     bond    ( 54.952,  69.597, -60.182)  ( 54.970,  69.616, -60.163)  ( 0.03,  0.03,  0.03)
171:     angle   ( -1.834,  -9.782, -31.818)  ( -1.825,  -9.774, -31.809)  ( 0.50,  0.08,  0.03)
171:     torsion (  2.726,   0.984,  -0.073)  (  2.727,   0.984,  -0.073)  ( 0.01,  0.04,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 26.430,   8.903, -12.275)  ( 26.431,   8.903, -12.275)  ( 0.00,  0.00,  0.00)
171:     electro (  0.434,   0.681,   0.145)  (  0.434,   0.681,   0.145)  ( 0.00,  0.00,  0.00)
171:  7       (-81.366, -64.293, -112.248)  (-81.339, -64.266, -112.220)  ( 0.03,  0.04,  0.02)
171:     bond    (-49.826, -55.720, -73.216)  (-49.807, -55.701, -73.197)  ( 0.04,  0.03,  0.03)
171:     angle   (-25.623,  -7.932, -31.950)  (-25.615,  -7.925, -31.942)  ( 0.03,  0.10,  0.03)
171:     torsion ( -0.025,   0.016,   0.004)  ( -0.025,   0.016,   0.004)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.002,  -0.680,  -7.188)  ( -6.002,  -0.680,  -7.188)  ( 0.00,  0.00,  0.00)
171:     electro (  0.110,   0.023,   0.102)  (  0.110,   0.023,   0.102)  ( 0.00,  0.00,  0.00)
171:  8       (-84.909, -97.294, -211.537)  (-84.886, -97.258, -211.505)  ( 0.03,  0.04,  0.02)
171:     bond    (-64.569, -159.993, -205.131)  (-64.552, -159.963, -205.104)  ( 0.03,  0.02,  0.01)
171:     angle   (-21.580,   8.756,  34.671)  (-21.575,   8.761,  34.675)  ( 0.02,  0.06,  0.01)
171:     torsion (  0.086,  52.261, -45.427)  (  0.086,  52.262, -45.427)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.392,   1.198,   4.044)  (  1.392,   1.198,   4.044)  ( 0.01,  0.01,  0.00)
171:     electro ( -0.238,   0.483,   0.307)  ( -0.238,   0.483,   0.307)  ( 0.00,  0.00,  0.00)
171:  9       ( 47.135, -20.490, -79.746)  ( 47.138, -20.486, -79.727)  ( 0.01,  0.02,  0.02)
171:     bond    ( 23.650,  25.473, -69.737)  ( 23.653,  25.475, -69.719)  ( 0.01,  0.01,  0.03)
171:     angle   (  7.691, -29.676,  -8.234)  (  7.692, -29.675,  -8.234)  ( 0.01,  0.00,  0.00)
171:     torsion ( 10.115, -17.057,  -2.801)  ( 10.114, -17.057,  -2.801)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.061,   1.628,   4.528)  (  6.061,   1.628,   4.528)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.382,  -0.857,  -3.501)  ( -0.382,  -0.857,  -3.501)  ( 0.00,  0.00,  0.00)
171: 10       ( 22.449, -68.998,   4.633)  ( 22.451, -68.976,   4.636)  ( 0.01,  0.03,  0.05)
171:     bond    (  7.092, -71.602,  11.127)  (  7.093, -71.580,  11.128)  ( 0.01,  0.03,  0.01)
171:     angle   ( 25.125,  -1.719, -27.071)  ( 25.126,  -1.719, -27.069)  ( 0.01,  0.00,  0.01)
171:     torsion ( -6.304,   2.008,  16.933)  ( -6.304,   2.008,  16.933)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.779,   5.337,   5.446)  ( -3.778,   5.337,   5.446)  ( 0.01,  0.00,  0.00)
171:     electro (  0.314,  -3.023,  -1.802)  (  0.314,  -3.023,  -1.802)  ( 0.00,  0.00,  0.00)
171: 11       (-91.763,  -3.754,  31.627)  (-91.731,  -3.718,  31.634)  ( 0.04,  0.95,  0.02)
171:     bond    (-115.629,  31.876,  11.097)  (-115.607,  31.903,  11.099)  ( 0.02,  0.09,  0.02)
171:     angle   ( 40.424, -23.656,  -4.616)  ( 40.434, -23.649,  -4.615)  ( 0.02,  0.03,  0.02)
171:     torsion ( -3.029, -18.365,  20.747)  ( -3.029, -18.365,  20.751)  ( 0.00,  0.00,  0.02)
171:     oop     (  0.009,   0.135,  -0.575)  (  0.009,   0.135,  -0.575)  ( 0.00,  0.00,  0.01)
171:     vdw     (-16.945,   5.217,   3.707)  (-16.944,   5.217,   3.707)  ( 0.00,  0.00,  0.00)
171:     electro (  3.407,   1.040,   1.267)  (  3.407,   1.040,   1.267)  ( 0.00,  0.00,  0.00)
171: 12       (-16.917,   0.368,  -2.780)  (-16.880,   0.403,  -2.771)  ( 0.22,  1.29,  0.30)
171:     bond    ( -8.035, -13.185,  -3.327)  ( -8.007, -13.159,  -3.325)  ( 0.34,  0.20,  0.05)
171:     angle   (  6.508,  32.172,   7.826)  (  6.518,  32.180,   7.827)  ( 0.14,  0.03,  0.01)
171:     torsion (  0.011,   0.610,  -2.907)  (  0.011,   0.610,  -2.901)  ( 0.00,  0.02,  0.19)
171:     oop     ( -0.005,   0.065,  -0.288)  ( -0.005,   0.066,  -0.287)  ( 0.00,  0.00,  0.02)
171:     vdw     (-15.584, -19.036,  -3.769)  (-15.584, -19.036,  -3.769)  ( 0.00,  0.00,  0.00)
171:     electro (  0.187,  -0.259,  -0.316)  (  0.187,  -0.259,  -0.316)  ( 0.00,  0.00,  0.00)
171: 13       ( 11.270, -95.690, -41.525)  ( 11.309, -95.656, -41.516)  ( 0.34,  0.04,  0.02)
171:     bond    ( 28.466,  16.983,   3.015)  ( 28.496,  17.006,   3.017)  ( 0.11,  0.14,  0.06)
171:     angle   (  3.964, -95.948, -24.764)  (  3.972, -95.938, -24.764)  ( 0.19,  0.01,  0.00)
171:     torsion ( -0.141,   1.849,  -7.029)  ( -0.141,   1.849,  -7.023)  ( 0.00,  0.02,  0.08)
171:     oop     ( -0.018,   0.196,  -0.781)  ( -0.018,   0.196,  -0.780)  ( 0.00,  0.00,  0.06)
171:     vdw     (-21.669, -18.406, -11.846)  (-21.669, -18.406, -11.846)  ( 0.00,  0.00,  0.00)
171:     electro (  0.669,  -0.364,  -0.121)  (  0.669,  -0.364,  -0.121)  ( 0.00,  0.00,  0.00)
171: 14       (-140.188,  98.160,  73.920)  (-140.150,  98.198,  73.928)  ( 0.03,  0.04,  0.01)
171:     bond    (-82.770,  58.919,  18.111)  (-82.743,  58.946,  18.113)  ( 0.03,  0.05,  0.01)
171:     angle   (-60.873,  53.130,  19.549)  (-60.863,  53.140,  19.549)  ( 0.02,  0.02,  0.00)
171:     torsion ( -0.379, -11.956,  45.545)  ( -0.379, -11.955,  45.551)  ( 0.00,  0.00,  0.01)
171:     oop     (  0.007,  -0.075,   0.304)  (  0.007,  -0.075,   0.304)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.636,  -3.098,  -8.519)  (  6.637,  -3.098,  -8.519)  ( 0.01,  0.01,  0.00)
171:     electro ( -2.809,   1.240,  -1.070)  ( -2.809,   1.240,  -1.070)  ( 0.00,  0.00,  0.00)
171: 15       (232.724, 225.345,  56.880)  (232.765, 225.385,  56.890)  ( 0.02,  0.02,  0.02)
171:     bond    (208.431, 186.218,  54.498)  (208.462, 186.248,  54.502)  ( 0.01,  0.02,  0.01)
171:     angle   (  7.144,  16.209,  14.422)  (  7.154,  16.218,  14.423)  ( 0.14,  0.06,  0.01)
171:     torsion (  0.685,   3.522, -15.763)  (  0.685,   3.523, -15.757)  ( 0.01,  0.02,  0.03)
171:     oop     (  0.010,   0.195,  -0.759)  (  0.010,   0.195,  -0.758)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 19.014,  18.420,   4.425)  ( 19.014,  18.420,   4.425)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.560,   0.781,   0.056)  ( -2.560,   0.781,   0.056)  ( 0.00,  0.00,  0.00)
171: 16       (-27.321,  38.880,  -5.682)  (-27.282,  38.914,  -5.673)  ( 0.14,  0.09,  0.16)
171:     bond    ( 42.454,  -0.705,   1.999)  ( 42.484,  -0.682,   2.001)  ( 0.07,  1.62,  0.10)
171:     angle   (-46.803,  20.940,   4.807)  (-46.795,  20.950,   4.808)  ( 0.02,  0.05,  0.01)
171:     torsion (  0.606,   6.259, -22.040)  (  0.606,   6.259, -22.034)  ( 0.00,  0.01,  0.03)
172:     bond    (101.827, -37.869, 196.831)  (101.834, -37.846, 196.857)  ( 0.01,  0.06,  0.01)
172:     angle   (-36.650, -45.180, -53.604)  (-36.647, -45.170, -53.601)  ( 0.01,  0.02,  0.00)
172:     torsion ( -7.700,   2.459,   5.024)  ( -7.698,   2.459,   5.024)  ( 0.02,  0.01,  0.01)
172:     vdw     (  3.258,   7.764,  -3.454)  (  3.258,   7.764,  -3.454)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 34       ( 10.585,   0.388,  17.616)  ( 10.635,   0.436,  17.664)  ( 0.47,  1.87,  0.28)
172:     bond    ( -0.500, -12.373,   9.898)  ( -0.463, -12.338,   9.934)  ( 1.85,  0.29,  0.36)
172:     angle   (  9.648,  15.499,  18.299)  (  9.659,  15.512,  18.311)  ( 0.12,  0.08,  0.07)
172:     torsion (  4.643,  -2.560,  -5.629)  (  4.644,  -2.560,  -5.628)  ( 0.02,  0.00,  0.01)
172:     vdw     ( -3.206,  -0.178,  -4.952)  ( -3.206,  -0.178,  -4.952)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 35       (-15.954,  -1.580, -30.115)  (-15.945,  -1.577, -30.093)  ( 0.06,  0.20,  0.07)
172:     bond    (-16.793,  -0.896, -30.319)  (-16.787,  -0.897, -30.298)  ( 0.04,  0.01,  0.07)
172:     angle   (  1.413,  -0.380,  -0.775)  (  1.417,  -0.376,  -0.774)  ( 0.22,  0.12,  0.08)
172:     torsion ( -0.703,   0.187,   0.384)  ( -0.703,   0.187,   0.384)  ( 0.01,  0.00,  0.00)
172:     vdw     (  0.129,  -0.491,   0.595)  (  0.129,  -0.491,   0.595)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 36       (  3.892,  26.603,  30.203)  (  3.901,  26.617,  30.215)  ( 0.24,  0.05,  0.04)
172:     bond    (-14.715,  20.399,  18.854)  (-14.709,  20.410,  18.864)  ( 0.04,  0.06,  0.05)
172:     angle   ( 19.840,   2.318,  12.960)  ( 19.843,   2.320,  12.962)  ( 0.02,  0.08,  0.02)
172:     torsion (  1.928,   0.401,   1.070)  (  1.929,   0.401,   1.070)  ( 0.01,  0.00,  0.01)
172:     vdw     ( -3.162,   3.486,  -2.682)  ( -3.162,   3.486,  -2.682)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 37       ( 35.452,  17.308,  10.249)  ( 35.477,  17.313,  10.254)  ( 0.07,  0.03,  0.05)
172:     bond    ( 32.455,   9.782,  -5.786)  ( 32.479,   9.784,  -5.785)  ( 0.08,  0.02,  0.01)
172:     angle   (  2.700,   4.121,  22.134)  (  2.701,   4.125,  22.137)  ( 0.01,  0.08,  0.02)
172:     torsion (  0.010,   0.083,   0.194)  (  0.010,   0.083,   0.194)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.287,   3.322,  -6.292)  (  0.287,   3.322,  -6.292)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 26 # gradients 
172: ok 27 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
172:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
172:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
172:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
172:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
172:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
172:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
172:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
172:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
172:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
172:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
172:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
172:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
172:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
172:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
172:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
172:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
172:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
172:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
172:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
172:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
172:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
172:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
172:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
172:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
172:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
172:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
172:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
172:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
172:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
172:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
172:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
172:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
172:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
172:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
172:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
172:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
172:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
172:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
172:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
172:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
172:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
172:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
172:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
172:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
172:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
172:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
172:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
172:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
172:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
172:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
172:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
172:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
172: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
172:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
172:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
172:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
172:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
172: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
172:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
172:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
172:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
172:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
172:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
172: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
172:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
172:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
172:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
172:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
172:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
172: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
172:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
172:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
172:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
172:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
172:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
172:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
172:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
172:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
172: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
172:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
172:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
172:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
172:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
172:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
172:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
172:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
172:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
172:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
172:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
172:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
172:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
172:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
172: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
172:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
172:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
172:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
172: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
172:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
172:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
172:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
172:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
172:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
172: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
172:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
172:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
172:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
172:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
172:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
172:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
172:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
172:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
172:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
172:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
172:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
172:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
172:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
172:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
172:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
172:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
172:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
172:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
172:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
172:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
172:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
172:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
172:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
172:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
172:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
172:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
172:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
172:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
172:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
172:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
172:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
172:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
172:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
172:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
172:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
172:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
172:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
172:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
172:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
172:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
172: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
172:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
172:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
172:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
172:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
172:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
172: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
172:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
172:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
172:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
172: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
172:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
172:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
172:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
172:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
172:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
172: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
172:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
172:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
172:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
172:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
172:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
172: ok 28 # gradients 
172: ok 29 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (-483.685, -788.434, -25.900)  (-483.635, -788.379, -25.858)  ( 0.01,  0.01,  0.16)
172:     bond    (-123.483, -133.688,  12.161)  (-123.445, -133.645,  12.191)  ( 0.03,  0.03,  0.25)
172:     angle   (-359.908, -649.896, -38.074)  (-359.897, -649.884, -38.062)  ( 0.00,  0.00,  0.03)
172:     torsion (  2.101,  -1.457,   2.833)  (  2.101,  -1.457,   2.833)  ( 0.02,  0.02,  0.02)
172:     vdw     ( -2.395,  -3.392,  -2.820)  ( -2.395,  -3.392,  -2.820)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       (-150.289,  75.914, 142.318)  (-150.239,  75.954, 142.365)  ( 0.03,  0.05,  0.03)
172:     bond    (  9.834,  50.544, -146.894)  (  9.875,  50.571, -146.855)  ( 0.41,  0.05,  0.03)
172:     angle   (-153.746,  27.483, 293.328)  (-153.736,  27.495, 293.336)  ( 0.01,  0.04,  0.00)
172:     torsion ( -6.223,  -2.600,  -3.652)  ( -6.222,  -2.599,  -3.651)  ( 0.01,  0.03,  0.02)
172:     vdw     ( -0.155,   0.487,  -0.464)  ( -0.155,   0.487,  -0.464)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       (118.446, 171.114, -465.743)  (118.500, 171.156, -465.699)  ( 0.04,  0.02,  0.01)
172:     bond    (-19.118,  50.713, -154.500)  (-19.073,  50.747, -154.471)  ( 0.24,  0.07,  0.02)
172:     angle   (137.091,  91.897, -324.372)  (137.099,  91.904, -324.357)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.601,  28.940,  16.482)  ( -0.601,  28.940,  16.483)  ( 0.00,  0.00,  0.00)
172:     vdw     (  1.074,  -0.436,  -3.354)  (  1.074,  -0.436,  -3.354)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (-86.609, 439.014, 711.149)  (-86.565, 439.062, 711.205)  ( 0.05,  0.01,  0.01)
172:     bond    (-32.932,  73.361, 171.694)  (-32.901,  73.397, 171.737)  ( 0.09,  0.05,  0.03)
172:     angle   (-54.988, 361.477, 537.547)  (-54.976, 361.488, 537.560)  ( 0.02,  0.00,  0.00)
172:     torsion (  0.844,   1.591,  -0.716)  (  0.845,   1.592,  -0.716)  ( 0.04,  0.03,  0.01)
172:     vdw     (  0.467,   2.585,   2.624)  (  0.467,   2.585,   2.624)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       ( -7.567, -638.470,  59.542)  ( -7.494, -638.410,  59.578)  ( 0.97,  0.01,  0.06)
172:     bond    (236.905, -169.810,   6.565)  (236.972, -169.758,   6.592)  ( 0.03,  0.03,  0.41)
172:     angle   (-212.896, -410.032, 140.931)  (-212.889, -410.024, 140.940)  ( 0.00,  0.00,  0.01)
172:     torsion (-26.430, -66.832, -87.390)  (-26.430, -66.832, -87.390)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -5.147,   8.205,  -0.565)  ( -5.147,   8.205,  -0.565)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (228.653, 260.133,  44.807)  (228.739, 260.195,  44.834)  ( 0.04,  0.02,  0.06)
172:     bond    (-54.553, -97.251, 136.985)  (-54.476, -97.200, 137.006)  ( 0.14,  0.05,  0.02)
172:     angle   (241.657, 321.716, -125.937)  (241.665, 321.726, -125.930)  ( 0.00,  0.00,  0.00)
172:     torsion ( 33.723,  32.553,  36.486)  ( 33.724,  32.554,  36.486)  ( 0.00,  0.00,  0.00)
172:     vdw     (  8.350,   3.286,  -3.257)  (  8.350,   3.286,  -3.257)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.524,  -0.171,   0.530)  ( -0.524,  -0.171,   0.530)  ( 0.00,  0.00,  0.00)
172:  7       (-587.438, -143.305,  11.645)  (-587.363, -143.225,  11.664)  ( 0.01,  0.06,  0.17)
172:     bond    (-298.842, -73.718,  17.820)  (-298.773, -73.651,  17.834)  ( 0.02,  0.09,  0.08)
172:     angle   (-258.526, -67.862, -17.538)  (-258.520, -67.851, -17.531)  ( 0.00,  0.02,  0.04)
172:     torsion (-39.427,  -2.663,  13.927)  (-39.427,  -2.663,  13.926)  ( 0.00,  0.00,  0.01)
172:     vdw     (  9.955,   0.661,  -2.710)  (  9.955,   0.661,  -2.710)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.598,   0.279,   0.145)  ( -0.598,   0.279,   0.145)  ( 0.00,  0.00,  0.00)
172:  8       ( 45.410,  31.974, 493.709)  ( 45.471,  32.044, 493.748)  ( 0.13,  0.22,  0.01)
172:     bond    (-37.015, 339.079, 109.544)  (-36.964, 339.142, 109.578)  ( 0.14,  0.02,  0.03)
172:     angle   ( 63.762, -301.464, 382.571)  ( 63.773, -301.456, 382.577)  ( 0.02,  0.00,  0.00)
172:     torsion ( 14.673,   1.679,  -0.383)  ( 14.672,   1.679,  -0.383)  ( 0.00,  0.00,  0.02)
172:     vdw     (  3.991,  -7.321,   1.976)  (  3.991,  -7.320,   1.976)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  9       (360.867, 242.908, -676.023)  (360.927, 242.947, -675.950)  ( 0.02,  0.02,  0.01)
172:     bond    (152.916,   8.014, -198.640)  (152.966,   8.044, -198.571)  ( 0.03,  0.37,  0.03)
172:     angle   (227.853, 245.387, -443.490)  (227.864, 245.396, -443.485)  ( 0.00,  0.00,  0.00)
172:     torsion (-13.958, -16.520, -43.857)  (-13.958, -16.521, -43.857)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -5.702,   5.042,  10.533)  ( -5.702,   5.042,  10.533)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.242,   0.986,  -0.569)  ( -0.242,   0.986,  -0.569)  ( 0.00,  0.00,  0.00)
172: 10       (-111.605, -180.030, 561.474)  (-111.548, -179.947, 561.506)  ( 0.05,  0.05,  0.01)
172:     bond    ( 67.468,  54.576, -12.563)  ( 67.512,  54.651, -12.535)  ( 0.07,  0.14,  0.22)
172:     angle   (-184.159, -249.578, 505.421)  (-184.147, -249.570, 505.426)  ( 0.01,  0.00,  0.00)
172:     torsion ( 13.823,  16.842,  62.209)  ( 13.823,  16.842,  62.209)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -9.154,  -2.355,   6.685)  ( -9.154,  -2.355,   6.685)  ( 0.00,  0.00,  0.00)
172:     electro (  0.418,   0.486,  -0.279)  (  0.418,   0.486,  -0.279)  ( 0.00,  0.00,  0.00)
172: 11       ( 38.790, -27.584, -102.068)  ( 38.833, -27.533, -102.027)  ( 0.11,  0.18,  0.04)
172:     bond    (-120.065, -106.033,  79.009)  (-120.030, -105.994,  79.042)  ( 0.03,  0.04,  0.04)
172:     angle   (150.692,  64.751, -222.033)  (150.700,  64.762, -222.025)  ( 0.01,  0.02,  0.00)
172:     torsion (  7.707,  14.295,  42.537)  (  7.708,  14.295,  42.537)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.455,  -0.597,  -1.581)  (  0.455,  -0.597,  -1.581)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (315.995, -171.132, -664.068)  (316.042, -171.087, -664.013)  ( 0.01,  0.03,  0.01)
172:     bond    ( 87.522, -58.387, -171.625)  ( 87.557, -58.353, -171.583)  ( 0.04,  0.06,  0.02)
172:     angle   (229.808, -113.542, -492.188)  (229.819, -113.531, -492.175)  ( 0.00,  0.01,  0.00)
172:     torsion ( -0.960,   0.838,  -0.805)  ( -0.960,   0.839,  -0.805)  ( 0.04,  0.04,  0.01)
172:     vdw     ( -0.375,  -0.042,   0.550)  ( -0.375,  -0.042,   0.550)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       (222.439, -937.863, 264.573)  (222.468, -937.828, 264.632)  ( 0.01,  0.00,  0.02)
172:     bond    (-46.368, -89.865,  59.959)  (-46.335, -89.841,  60.025)  ( 0.07,  0.03,  0.11)
172:     angle   (258.667, -818.948, 227.732)  (258.669, -818.936, 227.731)  ( 0.00,  0.00,  0.00)
172:     torsion (  9.754, -28.354, -26.126)  (  9.749, -28.354, -26.131)  ( 0.06,  0.00,  0.02)
172:     vdw     (  0.300,   0.067,   3.587)  (  0.300,   0.067,   3.587)  ( 0.00,  0.00,  0.00)
172:     electro (  0.085,  -0.764,  -0.579)  (  0.085,  -0.764,  -0.579)  ( 0.00,  0.00,  0.00)
172: 14       (-757.574, 461.942, 328.683)  (-757.618, 461.994, 328.644)  ( 0.01,  0.01,  0.01)
172:     bond    (  0.586, -45.719,   2.500)  (  0.597, -45.671,   2.514)  ( 0.66,  0.11,  0.57)
172:     angle   (-779.027, 502.723, 295.552)  (-779.044, 502.728, 295.532)  ( 0.00,  0.00,  0.01)
172:     torsion ( 18.184,   6.220,  25.946)  ( 18.147,   6.220,  25.912)  ( 0.20,  0.00,  0.13)
172:     vdw     (  2.459,  -1.220,   3.406)  (  2.459,  -1.220,   3.406)  ( 0.00,  0.00,  0.00)
172:     electro (  0.223,  -0.062,   1.279)  (  0.223,  -0.062,   1.279)  ( 0.00,  0.00,  0.00)
172: 15       ( 96.111, 521.505, -194.221)  ( 96.129, 521.512, -194.178)  ( 0.02,  0.00,  0.02)
172:     bond    (  1.977,   0.804,   3.060)  (  1.996,   0.807,   3.104)  ( 0.92,  0.24,  1.44)
172:     angle   (106.071, 506.715, -199.983)  (106.072, 506.720, -199.984)  ( 0.00,  0.00,  0.00)
172:     torsion (-10.804,  13.214,   3.508)  (-10.804,  13.214,   3.508)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.309,   2.550,  -1.323)  (  0.309,   2.550,  -1.323)  ( 0.00,  0.00,  0.00)
172:     electro ( -1.443,  -1.778,   0.516)  ( -1.443,  -1.778,   0.516)  ( 0.00,  0.00,  0.00)
172: 16       (109.581, 246.406, -35.465)  (109.607, 246.412, -35.461)  ( 0.02,  0.00,  0.01)
172:     bond    ( 69.487, -11.705,  -1.559)  ( 69.514, -11.704,  -1.559)  ( 0.04,  0.01,  0.02)
172:     angle   ( 43.423, 262.571, -35.069)  ( 43.423, 262.575, -35.066)  ( 0.00,  0.00,  0.01)
172:     torsion (  0.063,   0.120,   1.925)  (  0.063,   0.120,   1.925)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -3.393,  -4.580,  -0.761)  ( -3.393,  -4.579,  -0.761)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 17       (174.960, 176.025, -89.335)  (174.964, 176.039, -89.318)  ( 0.00,  0.01,  0.02)
172:     bond    (  0.067,  39.118,  41.485)  (  0.067,  39.131,  41.500)  ( 0.00,  0.03,  0.04)
172:     angle   (176.327, 138.802, -131.168)  (176.330, 138.803, -131.165)  ( 0.00,  0.00,  0.00)
172:     torsion ( -0.772,   0.580,  -0.545)  ( -0.772,   0.580,  -0.545)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -0.661,  -2.475,   0.894)  ( -0.661,  -2.474,   0.894)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 18       (251.139, 191.328, 100.736)  (251.143, 191.342, 100.754)  ( 0.00,  0.01,  0.02)
172:     bond    (  2.181,  42.689, -46.478)  (  2.182,  42.701, -46.463)  ( 0.01,  0.03,  0.03)
172:     angle   (253.610, 151.426, 151.075)  (253.614, 151.427, 151.078)  ( 0.00,  0.00,  0.00)
172:     torsion (  1.057,  -0.932,  -0.807)  (  1.057,  -0.932,  -0.807)  ( 0.01,  0.01,  0.00)
172:     vdw     ( -5.709,  -1.855,  -3.054)  ( -5.709,  -1.855,  -3.054)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 19       ( 33.317,  57.884,  90.759)  ( 33.324,  57.892,  90.779)  ( 0.02,  0.01,  0.02)
172:     bond    ( 24.015, -31.052,  60.780)  ( 24.018, -31.047,  60.800)  ( 0.01,  0.02,  0.03)
172:     angle   ( 17.910,  79.100,  33.317)  ( 17.912,  79.103,  33.317)  ( 0.01,  0.00,  0.00)
172:     torsion (  2.826,  -0.063,  -1.148)  (  2.826,  -0.063,  -1.148)  ( 0.01,  0.00,  0.01)
172:     vdw     (-11.433,   9.899,  -2.189)  (-11.432,   9.899,  -2.189)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       (112.100,  65.862,  54.803)  (112.104,  65.873,  54.824)  ( 0.00,  0.02,  0.04)
172:     bond    (  1.245,  49.479,  76.160)  (  1.245,  49.487,  76.180)  ( 0.03,  0.02,  0.03)
172:     angle   (100.726,  19.307, -14.190)  (100.729,  19.309, -14.189)  ( 0.00,  0.01,  0.01)
172:     torsion (  1.154,   1.529,  -1.012)  (  1.154,   1.529,  -1.012)  ( 0.00,  0.01,  0.00)
172:     vdw     (  8.974,  -4.452,  -6.155)  (  8.975,  -4.452,  -6.155)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 21       (-71.223, -54.362, -54.764)  (-71.217, -54.338, -54.760)  ( 0.01,  0.04,  0.01)
172:     bond    (-26.461, -65.057,  11.205)  (-26.457, -65.034,  11.206)  ( 0.02,  0.04,  0.01)
172:     angle   (-46.537,   7.124, -68.522)  (-46.535,   7.124, -68.519)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.326,   0.906,   4.487)  ( -0.326,   0.906,   4.487)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.100,   2.666,  -1.934)  (  2.101,   2.666,  -1.934)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 22       (-68.853, -136.453, -261.776)  (-68.828, -136.448, -261.770)  ( 0.04,  0.00,  0.00)
172:     bond    ( 54.419, -15.692, -19.606)  ( 54.442, -15.690, -19.603)  ( 0.04,  0.01,  0.02)
172:     angle   (-123.941, -124.844, -244.293)  (-123.939, -124.841, -244.290)  ( 0.00,  0.00,  0.00)
172:     torsion (  0.075,   0.834,  -0.459)  (  0.075,   0.834,  -0.459)  ( 0.00,  0.01,  0.00)
172:     vdw     (  0.594,   3.249,   2.581)  (  0.594,   3.249,   2.582)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 23       ( 75.683, -117.846, -173.470)  ( 75.689, -117.836, -173.450)  ( 0.01,  0.01,  0.01)
172:     bond    (-20.746,  33.175, -62.178)  (-20.744,  33.181, -62.158)  ( 0.01,  0.02,  0.03)
172:     angle   ( 97.257, -154.243, -114.792)  ( 97.260, -154.239, -114.792)  ( 0.00,  0.00,  0.00)
172:     torsion ( -0.481,  -0.245,   0.030)  ( -0.481,  -0.245,   0.030)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -0.346,   3.467,   3.470)  ( -0.346,   3.467,   3.470)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 24       (105.149, -66.430, -206.326)  (105.157, -66.407, -206.322)  ( 0.01,  0.03,  0.00)
172:     bond    (-19.670, -43.647,  -7.176)  (-19.665, -43.624,  -7.175)  ( 0.02,  0.05,  0.01)
172:     angle   (126.570, -23.893, -201.648)  (126.573, -23.893, -201.644)  ( 0.00,  0.00,  0.00)
172:     torsion (  0.145,  -0.078,   0.078)  (  0.145,  -0.078,   0.078)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -1.896,   1.189,   2.419)  ( -1.896,   1.189,   2.419)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 25       (-44.220,  12.148,  -7.731)  (-44.210,  12.167,  -7.724)  ( 0.02,  0.16,  0.08)
172:     bond    ( -3.943,  -6.899,   3.822)  ( -3.937,  -6.881,   3.827)  ( 0.15,  0.26,  0.14)
172:     angle   (-38.340,  11.268, -19.179)  (-38.337,  11.269, -19.179)  ( 0.01,  0.01,  0.00)
172:     torsion ( -2.978,   6.930,   9.397)  ( -2.978,   6.930,   9.397)  ( 0.00,  0.00,  0.00)
172:     vdw     (  1.663,   0.445,  -1.262)  (  1.663,   0.445,  -1.262)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.622,   0.404,  -0.508)  ( -0.622,   0.404,  -0.508)  ( 0.00,  0.00,  0.00)
172: 26       ( 18.457, -48.202,   0.427)  ( 18.480, -48.196,   0.433)  ( 0.12,  0.01,  0.25)
172:     bond    (  3.862,   0.983,   1.869)  (  3.884,   0.985,   1.875)  ( 0.58,  0.14,  0.28)
172:     angle   ( -7.815, -37.552,  35.916)  ( -7.815, -37.548,  35.917)  ( 0.00,  0.01,  0.00)
172:     torsion ( 20.997,  -8.192, -39.206)  ( 20.997,  -8.192, -39.206)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.854,  -2.630,   1.421)  (  0.854,  -2.630,   1.421)  ( 0.00,  0.00,  0.00)
172:     electro (  0.559,  -0.810,   0.426)  (  0.559,  -0.810,   0.426)  ( 0.00,  0.00,  0.00)
172: 27       (-29.738,  40.590,   5.549)  (-29.733,  40.591,   5.577)  ( 0.02,  0.00,  0.50)
172:     bond    ( -1.957,   0.297,  -8.240)  ( -1.955,   0.297,  -8.213)  ( 0.08,  0.00,  0.33)
172:     angle   (-21.621,  52.996,   7.064)  (-21.618,  52.998,   7.064)  ( 0.01,  0.00,  0.00)
172:     torsion (-11.269, -11.104,   2.280)  (-11.269, -11.104,   2.281)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.798,  -0.733,   3.981)  (  3.798,  -0.733,   3.981)  ( 0.00,  0.00,  0.00)
172:     electro (  1.311,  -0.867,   0.464)  (  1.311,  -0.867,   0.464)  ( 0.00,  0.00,  0.00)
172: 28       (-136.891, 245.087, -127.495)  (-136.870, 245.092, -127.486)  ( 0.02,  0.00,  0.01)
172:     bond    ( -4.603,  -0.834,   3.102)  ( -4.584,  -0.834,   3.111)  ( 0.42,  0.05,  0.29)
172:     angle   (-130.627, 233.442, -129.868)  (-130.626, 233.446, -129.868)  ( 0.00,  0.00,  0.00)
172:     torsion ( -3.357,  13.709,  -1.271)  ( -3.357,  13.709,  -1.271)  ( 0.00,  0.00,  0.01)
172:     vdw     (  2.285,  -1.520,   1.199)  (  2.285,  -1.520,   1.199)  ( 0.01,  0.01,  0.01)
172:     electro ( -0.589,   0.290,  -0.657)  ( -0.589,   0.290,  -0.657)  ( 0.00,  0.00,  0.00)
172: 29       ( 62.680,  48.907,  79.728)  ( 62.701,  48.917,  79.731)  ( 0.03,  0.02,  0.00)
172:     bond    ( 82.859,  48.522,  11.969)  ( 82.880,  48.529,  11.970)  ( 0.02,  0.02,  0.01)
172:     angle   (-15.838,   8.500,  75.187)  (-15.837,   8.502,  75.190)  ( 0.01,  0.03,  0.00)
172:     torsion (  1.056,  -1.007,  -3.232)  (  1.056,  -1.007,  -3.232)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -5.397,  -7.108,  -4.197)  ( -5.397,  -7.108,  -4.197)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 30       (-75.889,  12.904, 204.837)  (-75.885,  12.931, 204.841)  ( 0.01,  0.21,  0.00)
172:     bond    ( -7.796,  60.835,  11.399)  ( -7.795,  60.862,  11.401)  ( 0.01,  0.04,  0.01)
172:     angle   (-73.100, -46.077, 195.991)  (-73.097, -46.076, 195.995)  ( 0.00,  0.00,  0.00)
172:     torsion (  2.398,   0.066,   1.288)  (  2.398,   0.066,   1.288)  ( 0.01,  0.00,  0.00)
172:     vdw     (  2.608,  -1.920,  -3.842)  (  2.609,  -1.920,  -3.842)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 31       (-117.716,  90.678, 152.303)  (-117.707,  90.684, 152.325)  ( 0.01,  0.01,  0.01)
172:     bond    ( 27.141, -14.457,  53.610)  ( 27.147, -14.455,  53.631)  ( 0.02,  0.01,  0.04)
172:     angle   (-146.486, 105.766, 102.653)  (-146.482, 105.769, 102.653)  ( 0.00,  0.00,  0.00)
172:     torsion ( -0.366,  -0.637,   0.013)  ( -0.366,  -0.637,   0.013)  ( 0.00,  0.01,  0.00)
172:     vdw     (  1.994,   0.006,  -3.973)  (  1.994,   0.006,  -3.973)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 32       (-50.224,  82.100, 196.063)  (-50.199,  82.107, 196.068)  ( 0.05,  0.01,  0.00)
172:     bond    (-55.346, -19.687,  12.099)  (-55.323, -19.684,  12.101)  ( 0.04,  0.02,  0.01)
172:     angle   (  4.679, 101.096, 185.844)  (  4.679, 101.100, 185.848)  ( 0.01,  0.00,  0.00)
172:     torsion ( -0.331,   0.679,  -0.408)  ( -0.331,   0.679,  -0.408)  ( 0.00,  0.01,  0.00)
172:     vdw     (  0.775,   0.012,  -1.473)  (  0.775,   0.012,  -1.473)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 33       (408.847, -165.313, -419.480)  (408.832, -165.278, -419.494)  ( 0.00,  0.02,  0.00)
172:     bond    ( 49.599, 130.501, -58.048)  ( 49.604, 130.533, -58.041)  ( 0.01,  0.02,  0.01)
172:     angle   (371.322, -295.799, -347.892)  (371.314, -295.795, -347.900)  ( 0.00,  0.00,  0.00)
172:     torsion (-12.248,  -0.841, -12.358)  (-12.260,  -0.841, -12.370)  ( 0.10,  0.00,  0.10)
172:     vdw     ( -1.245,  -1.183,  -0.414)  ( -1.245,  -1.183,  -0.414)  ( 0.00,  0.00,  0.00)
172:     electro (  1.420,   2.008,  -0.769)  (  1.420,   2.008,  -0.769)  ( 0.00,  0.00,  0.00)
172: ok 30 # gradients 
172: ok 31 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       ( 46.073, -53.603,   1.779)  ( 46.121, -53.554,   1.827)  ( 0.11,  0.09,  2.70)
172:     bond    ( 56.033,   2.173,  18.600)  ( 56.070,   2.210,  18.636)  ( 0.06,  1.67,  0.20)
172:     angle   ( -7.353, -49.796,  -8.847)  ( -7.340, -49.783,  -8.836)  ( 0.17,  0.03,  0.13)
172:     torsion (  0.938,   1.611,  -3.622)  (  0.938,   1.611,  -3.621)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -3.546,  -7.591,  -4.351)  ( -3.546,  -7.591,  -4.351)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       (141.043, 179.752, 117.469)  (141.110, 179.826, 117.486)  ( 0.05,  0.04,  0.01)
172:     bond    ( 77.454, 158.423,  80.136)  ( 77.508, 158.488,  80.147)  ( 0.07,  0.04,  0.01)
172:     angle   ( 65.044,  21.210,  39.213)  ( 65.057,  21.218,  39.216)  ( 0.02,  0.04,  0.01)
172:     torsion (  0.130,   0.532,  -2.605)  (  0.131,   0.533,  -2.601)  ( 0.00,  0.02,  0.13)
172:     vdw     ( -1.646,  -0.358,   0.422)  ( -1.646,  -0.358,   0.422)  ( 0.01,  0.00,  0.00)
172:     electro (  0.060,  -0.055,   0.302)  (  0.060,  -0.055,   0.302)  ( 0.00,  0.00,  0.00)
172:  3       ( -8.226, -36.206,  -9.656)  ( -8.220, -36.181,  -9.652)  ( 0.07,  0.07,  0.04)
172:     bond    (-11.345, -33.468,   2.727)  (-11.342, -33.443,   2.727)  ( 0.02,  0.07,  0.00)
172:     angle   (  5.420,  -2.848, -12.376)  (  5.423,  -2.848, -12.372)  ( 0.06,  0.01,  0.03)
172:     torsion (  0.012,  -0.008,  -0.042)  (  0.012,  -0.008,  -0.042)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.313,   0.117,   0.035)  ( -2.313,   0.117,   0.035)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (-33.035,  14.265,  14.129)  (-33.023,  14.277,  14.141)  ( 0.04,  0.08,  0.09)
172:     bond    (-20.220,  20.248,  21.069)  (-20.211,  20.257,  21.079)  ( 0.04,  0.04,  0.05)
172:     angle   ( 14.957,  14.055,   0.831)  ( 14.959,  14.057,   0.834)  ( 0.01,  0.02,  0.20)
172:     torsion ( -0.004,  -0.021,   0.016)  ( -0.004,  -0.021,   0.016)  ( 0.00,  0.00,  0.00)
172:     vdw     (-27.768, -20.017,  -7.788)  (-27.767, -20.016,  -7.788)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       ( -9.060,   9.846, -36.923)  ( -9.057,   9.853, -36.898)  ( 0.04,  0.06,  0.07)
172:     bond    ( -3.550,  11.947, -36.602)  ( -3.550,  11.950, -36.577)  ( 0.00,  0.02,  0.07)
172:     angle   ( -5.400,  -2.196,  -0.193)  ( -5.397,  -2.193,  -0.193)  ( 0.06,  0.17,  0.01)
172:     torsion ( -0.006,   0.045,   0.015)  ( -0.006,   0.045,   0.015)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.104,   0.051,  -0.143)  ( -0.104,   0.051,  -0.143)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (-51.563,  32.405,   2.018)  (-51.534,  32.444,   2.022)  ( 0.06,  0.12,  0.19)
172:     bond    (-36.513,  43.141,   9.825)  (-36.486,  43.178,   9.827)  ( 0.07,  0.09,  0.02)
172:     angle   ( -8.815,  -6.178,  -5.581)  ( -8.812,  -6.177,  -5.580)  ( 0.03,  0.02,  0.01)
172:     torsion (  1.264,   1.990,  -4.052)  (  1.264,   1.990,  -4.051)  ( 0.00,  0.01,  0.02)
172:     vdw     ( -7.339,  -7.843,   1.278)  ( -7.339,  -7.842,   1.278)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.160,   1.295,   0.548)  ( -0.160,   1.295,   0.548)  ( 0.00,  0.00,  0.00)
172:  7       ( 18.571, -115.444,  31.887)  ( 18.626, -115.390,  31.906)  ( 0.30,  0.05,  0.06)
172:     bond    (103.923, -105.456,  11.336)  (103.966, -105.413,  11.349)  ( 0.04,  0.04,  0.11)
172:     angle   (-80.727,   4.516, -18.236)  (-80.715,   4.528, -18.234)  ( 0.01,  0.25,  0.01)
172:     torsion ( -7.906, -15.760,  38.484)  ( -7.906, -15.760,  38.488)  ( 0.00,  0.00,  0.01)
172:     vdw     (  3.828,   0.979,   1.088)  (  3.829,   0.979,   1.088)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.547,   0.276,  -0.785)  ( -0.547,   0.276,  -0.785)  ( 0.00,  0.00,  0.00)
172:  8       ( 98.492,  -8.381,  -8.747)  ( 98.510,  -8.365,  -8.743)  ( 0.02,  0.18,  0.04)
172:     bond    ( 57.396, -52.111, -14.395)  ( 57.412, -52.098, -14.394)  ( 0.03,  0.02,  0.01)
172:     angle   ( 15.918,  14.631,  10.536)  ( 15.920,  14.633,  10.537)  ( 0.01,  0.01,  0.01)
172:     torsion (  1.353,   5.680, -15.166)  (  1.353,   5.681, -15.165)  ( 0.00,  0.00,  0.01)
172:     vdw     ( 23.274,  24.518,  10.059)  ( 23.275,  24.518,  10.059)  ( 0.00,  0.00,  0.00)
172:     electro (  0.550,  -1.099,   0.220)  (  0.550,  -1.099,   0.220)  ( 0.00,  0.00,  0.00)
172:  9       (-196.889, -140.673, 168.386)  (-196.834, -140.622, 168.422)  ( 0.03,  0.04,  0.02)
172:     bond    (-117.027, -220.319,  72.628)  (-116.983, -220.279,  72.656)  ( 0.04,  0.02,  0.04)
172:     angle   (-63.685,  98.264, 121.297)  (-63.675,  98.275, 121.304)  ( 0.02,  0.01,  0.01)
172:     torsion (-17.120, -19.452, -26.178)  (-17.120, -19.452, -26.178)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.943,   0.833,   0.640)  (  0.943,   0.833,   0.640)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 10       (232.993, -84.406,   3.415)  (233.034, -84.370,   3.466)  ( 0.02,  0.04,  1.50)
172:     bond    ( 65.211,   0.399, 148.702)  ( 65.240,   0.426, 148.746)  ( 0.04,  1.07,  0.03)
172:     angle   (177.340, -80.008, -125.110)  (177.352, -79.999, -125.103)  ( 0.01,  0.01,  0.01)
172:     torsion (-11.166,  -6.616, -21.328)  (-11.166,  -6.616, -21.328)  ( 0.00,  0.00,  0.00)
172:     vdw     (  1.608,   1.819,   1.151)  (  1.608,   1.819,   1.151)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       (-254.765, 436.986, -67.608)  (-254.707, 437.012, -67.559)  ( 0.02,  0.01,  0.07)
172:     bond    (-120.639, 134.169,  15.514)  (-120.591, 134.184,  15.547)  ( 0.04,  0.01,  0.21)
172:     angle   (-167.688, 157.180, -45.457)  (-167.679, 157.192, -45.442)  ( 0.01,  0.01,  0.03)
172:     torsion ( 33.886, 145.372, -37.446)  ( 33.886, 145.371, -37.446)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.324,   0.265,  -0.218)  ( -0.324,   0.265,  -0.218)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (-22.088, -22.217, -29.969)  (-22.084, -22.208, -29.948)  ( 0.02,  0.04,  0.07)
172:     bond    ( -6.016, -21.410, -36.088)  ( -6.016, -21.403, -36.068)  ( 0.01,  0.03,  0.06)
172:     angle   (-30.444,  -0.957,   5.643)  (-30.441,  -0.955,   5.644)  ( 0.01,  0.19,  0.01)
172:     torsion (  4.110,  -6.214,   3.002)  (  4.110,  -6.214,   3.002)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 10.262,   6.364,  -2.526)  ( 10.262,   6.364,  -2.526)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 13       (  8.293, -133.079,  62.973)  (  8.310, -133.062,  62.979)  ( 0.21,  0.01,  0.01)
172:     bond    ( 30.933, -138.777,  61.028)  ( 30.949, -138.763,  61.031)  ( 0.05,  0.01,  0.01)
172:     angle   (-18.060,  -2.085, -16.096)  (-18.059,  -2.083, -16.093)  ( 0.01,  0.13,  0.02)
172:     torsion ( -2.188,   6.410,  20.016)  ( -2.188,   6.410,  20.016)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.392,   1.374,  -1.975)  ( -2.392,   1.374,  -1.975)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 14       (148.340, -196.719, -384.370)  (148.378, -196.698, -384.273)  ( 0.03,  0.01,  0.03)
172:     bond    ( 78.126, 114.902, -393.965)  ( 78.154, 114.917, -393.878)  ( 0.04,  0.01,  0.02)
172:     angle   ( 98.473, -242.933,  -3.874)  ( 98.482, -242.926,  -3.865)  ( 0.01,  0.00,  0.23)
172:     torsion (-17.678, -65.927,  16.403)  (-17.677, -65.926,  16.404)  ( 0.00,  0.00,  0.00)
172:     vdw     (-11.821,  -1.517,  -2.824)  (-11.820,  -1.517,  -2.824)  ( 0.00,  0.00,  0.00)
172:     electro (  1.239,  -1.245,  -0.111)  (  1.239,  -1.245,  -0.111)  ( 0.00,  0.00,  0.00)
172: 15       ( 55.040,  12.071,   3.767)  ( 55.044,  12.097,   3.772)  ( 0.01,  0.21,  0.11)
172:     bond    (  0.427,  11.115,   3.347)  (  0.427,  11.140,   3.349)  ( 0.00,  0.23,  0.07)
172:     angle   ( 47.344,  -0.958,  -2.857)  ( 47.348,  -0.958,  -2.855)  ( 0.01,  0.02,  0.07)
172:     torsion (  3.463,  -0.198,   0.216)  (  3.463,  -0.198,   0.216)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.806,   2.112,   3.061)  (  3.806,   2.112,   3.061)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 16       (-38.258,  87.065, 123.842)  (-38.253,  87.068, 123.903)  ( 0.01,  0.00,  0.05)
172:     bond    (-23.671, -14.717, 113.273)  (-23.669, -14.716, 113.334)  ( 0.01,  0.00,  0.05)
172:     angle   (-29.611,  71.263,   3.070)  (-29.608,  71.265,   3.070)  ( 0.01,  0.00,  0.00)
172:     torsion ( 19.803,  30.719,   8.124)  ( 19.803,  30.720,   8.125)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -4.022,  -0.700,  -0.473)  ( -4.022,  -0.700,  -0.473)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.757,   0.500,  -0.153)  ( -0.757,   0.500,  -0.153)  ( 0.00,  0.00,  0.00)
172: 17       (-124.922, 160.182, -83.462)  (-124.880, 160.221, -83.420)  ( 0.03,  0.02,  0.05)
172:     bond    (-131.449,  83.564, -63.177)  (-131.416,  83.592, -63.143)  ( 0.03,  0.03,  0.05)
172:     angle   (  8.025,  70.698, -17.007)  (  8.034,  70.708, -16.998)  ( 0.11,  0.01,  0.05)
172:     torsion ( -0.745,   6.167,  -3.535)  ( -0.745,   6.167,  -3.535)  ( 0.03,  0.01,  0.01)
172:     vdw     ( -0.753,  -0.247,   0.257)  ( -0.753,  -0.247,   0.257)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 18       (-94.970, -271.612,  65.923)  (-94.923, -271.564,  65.973)  ( 0.05,  0.02,  0.08)
172:     bond    ( -5.806, -112.325,   7.274)  ( -5.770, -112.289,   7.312)  ( 0.63,  0.03,  0.52)
172:     angle   (-83.027, -71.036,  27.950)  (-83.017, -71.025,  27.962)  ( 0.01,  0.02,  0.04)
172:     torsion ( -3.416, -86.985,  30.001)  ( -3.416, -86.985,  30.001)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -2.720,  -1.265,   0.697)  ( -2.720,  -1.265,   0.697)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 19       ( 47.998, -93.172, -63.432)  ( 48.047, -93.123, -63.383)  ( 0.10,  0.05,  0.08)
172:     bond    (  3.510,   0.952,  -4.414)  (  3.546,   0.988,  -4.377)  ( 1.03,  3.45,  0.83)
172:     angle   ( 50.607, -90.344, -54.175)  ( 50.619, -90.331, -54.163)  ( 0.02,  0.01,  0.02)
172:     torsion ( -4.961,  -2.567,  -0.636)  ( -4.961,  -2.567,  -0.636)  ( 0.01,  0.01,  0.02)
172:     vdw     ( -1.158,  -1.212,  -4.207)  ( -1.158,  -1.212,  -4.207)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       (104.993,  46.842,  70.465)  (105.043,  46.890,  70.514)  ( 0.05,  0.10,  0.07)
172:     bond    ( 17.708,  15.746,  11.019)  ( 17.745,  15.782,  11.055)  ( 0.21,  0.23,  0.33)
172:     angle   ( 78.058,  33.218,  62.190)  ( 78.070,  33.230,  62.202)  ( 0.02,  0.04,  0.02)
172:     torsion (  6.126,  -5.883,  -3.243)  (  6.126,  -5.883,  -3.243)  ( 0.00,  0.01,  0.01)
172:     vdw     (  3.102,   3.761,   0.500)  (  3.102,   3.761,   0.500)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 21       (146.255, 149.536, 151.376)  (146.280, 149.618, 151.417)  ( 0.02,  0.05,  0.03)
172:     bond    ( 40.147, 106.784,  65.656)  ( 40.166, 106.856,  65.689)  ( 0.05,  0.07,  0.05)
172:     angle   ( 96.179,  38.674,  82.359)  ( 96.185,  38.684,  82.366)  ( 0.01,  0.03,  0.01)
172:     torsion ( 15.474,   5.590,  -2.941)  ( 15.475,   5.590,  -2.940)  ( 0.01,  0.00,  0.02)
172:     vdw     ( -4.952,  -1.638,   6.182)  ( -4.952,  -1.638,   6.183)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.594,   0.125,   0.119)  ( -0.594,   0.125,   0.119)  ( 0.00,  0.00,  0.00)
172: 22       ( 14.363,  24.556,  -5.998)  ( 14.367,  24.566,  -5.977)  ( 0.03,  0.04,  0.35)
172:     bond    ( -0.141,   0.953,   1.628)  ( -0.140,   0.960,   1.649)  ( 0.00,  0.67,  1.27)
172:     angle   ( 20.638,  18.771,  -9.175)  ( 20.641,  18.773,  -9.175)  ( 0.01,  0.01,  0.01)
172:     torsion ( -8.277,   7.711,  -5.195)  ( -8.277,   7.711,  -5.195)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.141,  -2.878,   6.744)  (  2.142,  -2.878,   6.745)  ( 0.04,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 23       (-57.516, -332.950, -98.332)  (-57.497, -332.903, -98.310)  ( 0.03,  0.01,  0.02)
172:     bond    (-19.487, -259.679, -59.892)  (-19.470, -259.639, -59.873)  ( 0.08,  0.02,  0.03)
172:     angle   (-31.577, -68.046, -46.314)  (-31.575, -68.039, -46.312)  ( 0.00,  0.01,  0.00)
172:     torsion ( -9.292,  -1.338,   8.076)  ( -9.291,  -1.338,   8.077)  ( 0.01,  0.00,  0.01)
172:     vdw     (  2.462,  -4.002,  -0.004)  (  2.462,  -4.001,  -0.004)  ( 0.00,  0.00,  0.00)
172:     electro (  0.378,   0.115,  -0.199)  (  0.378,   0.115,  -0.199)  ( 0.00,  0.00,  0.00)
172: 24       ( -1.382, -37.977,   2.868)  ( -1.368, -37.964,   2.876)  ( 0.97,  0.04,  0.30)
172:     bond    ( 15.002, -14.886,  10.387)  ( 15.013, -14.875,  10.392)  ( 0.07,  0.07,  0.05)
172:     angle   (-18.866, -26.610, -10.838)  (-18.864, -26.608, -10.835)  ( 0.01,  0.01,  0.03)
172:     torsion ( -0.221,   0.010,   0.333)  ( -0.221,   0.010,   0.333)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.704,   3.510,   2.986)  (  2.704,   3.510,   2.986)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 25       (-11.589,   7.655, -36.391)  (-11.578,   7.666, -36.377)  ( 0.09,  0.15,  0.04)
172:     bond    ( 10.819,  11.402, -12.976)  ( 10.827,  11.411, -12.965)  ( 0.07,  0.08,  0.09)
172:     angle   (-25.163,  -7.263, -27.403)  (-25.160,  -7.260, -27.400)  ( 0.01,  0.04,  0.01)
172:     torsion (  0.025,  -0.031,  -0.006)  (  0.025,  -0.031,  -0.006)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.729,   3.546,   3.994)  (  2.729,   3.546,   3.994)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 26       (-35.365,  12.544,   1.991)  (-35.358,  12.557,   2.007)  ( 0.02,  0.10,  0.80)
172:     bond    ( -7.469,  12.487,  14.722)  ( -7.466,  12.497,  14.736)  ( 0.05,  0.08,  0.10)
172:     angle   (-36.168,  -7.559, -11.915)  (-36.165,  -7.556, -11.913)  ( 0.01,  0.03,  0.02)
172:     torsion ( -0.050,   0.462,  -0.417)  ( -0.049,   0.462,  -0.417)  ( 0.00,  0.00,  0.00)
172:     vdw     (  8.322,   7.154,  -0.399)  (  8.322,   7.154,  -0.399)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 27       (  4.763,  -9.346,  37.404)  (  4.777,  -9.332,  37.411)  ( 0.31,  0.15,  0.02)
172:     bond    ( 14.702, -14.220,   7.906)  ( 14.714, -14.208,   7.909)  ( 0.08,  0.08,  0.04)
172:     angle   (-10.743,   9.005,  36.160)  (-10.741,   9.007,  36.163)  ( 0.02,  0.02,  0.01)
172:     torsion ( -1.890,  -1.759,   0.357)  ( -1.890,  -1.759,   0.357)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.694,  -2.372,  -7.018)  (  2.694,  -2.372,  -7.018)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 28       (-42.977,   6.178,   6.639)  (-42.962,   6.188,   6.648)  ( 0.04,  0.17,  0.14)
172:     bond    (-16.447, -12.459, -11.230)  (-16.434, -12.451, -11.224)  ( 0.08,  0.06,  0.06)
172:     angle   (-29.289,  19.160,  21.622)  (-29.287,  19.162,  21.625)  ( 0.01,  0.01,  0.01)
172:     torsion ( -0.328,   1.908,  -1.636)  ( -0.328,   1.908,  -1.636)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.087,  -2.431,  -2.117)  (  3.087,  -2.431,  -2.117)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 29       ( -7.405,  39.134,  -1.182)  ( -7.395,  39.145,  -1.167)  ( 0.13,  0.03,  1.25)
172:     bond    (  8.732,  10.230, -12.436)  (  8.739,  10.238, -12.423)  ( 0.07,  0.08,  0.10)
172:     angle   (-18.082,  33.209,  14.652)  (-18.079,  33.212,  14.654)  ( 0.02,  0.01,  0.01)
172:     torsion (  1.576,  -0.176,   0.963)  (  1.576,  -0.176,   0.963)  ( 0.01,  0.00,  0.00)
172:     vdw     (  0.370,  -4.129,  -4.362)  (  0.370,  -4.129,  -4.361)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 30       ( -0.063, 275.793,  24.986)  ( -0.057, 275.833,  24.991)  ( 0.04,  0.01,  0.02)
172:     bond    (-61.451, 258.293, -33.425)  (-61.448, 258.332, -33.423)  ( 0.01,  0.02,  0.01)
172:     angle   ( 35.883,  14.142,  43.329)  ( 35.884,  14.142,  43.330)  ( 0.00,  0.00,  0.00)
172:     torsion (  8.079,   1.013,  -7.023)  (  8.080,   1.013,  -7.022)  ( 0.01,  0.00,  0.01)
172:     vdw     ( 20.022,   2.547,  24.873)  ( 20.022,   2.547,  24.873)  ( 0.00,  0.00,  0.00)
172:     electro ( -2.595,  -0.201,  -2.767)  ( -2.595,  -0.201,  -2.767)  ( 0.00,  0.00,  0.00)
172: 31       (-77.921,  40.028, -66.070)  (-77.916,  40.077, -66.053)  ( 0.01,  0.12,  0.03)
172:     bond    (  0.512,   2.123,   1.160)  (  0.515,   2.172,   1.174)  ( 0.14,  2.27,  1.22)
172:     angle   (-49.362,  40.654, -53.541)  (-49.360,  40.655, -53.539)  ( 0.00,  0.00,  0.00)
172:     torsion (-10.996,  -2.287,   9.050)  (-10.996,  -2.287,   9.050)  ( 0.00,  0.00,  0.00)
172:     vdw     (-20.501,  -0.752, -25.565)  (-20.501,  -0.752, -25.565)  ( 0.00,  0.00,  0.00)
172:     electro (  2.426,   0.290,   2.826)  (  2.426,   0.290,   2.826)  ( 0.00,  0.00,  0.00)
172: ok 32 # gradients 
172: ok 33 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (-115.635,  21.736,   0.189)  (-115.570,  21.769,   0.261)  ( 0.06,  0.15,  1.36)
172:     bond    (-155.155,  29.198,   0.313)  (-155.106,  29.225,   0.374)  ( 0.03,  0.09,  1.92)
172:     angle   ( 44.402,  -8.380,  -0.123)  ( 44.417,  -8.375,  -0.113)  ( 0.03,  0.06,  0.12)
172:     torsion (  0.002,   0.003,  -0.004)  (  0.002,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -4.883,   0.914,   0.003)  ( -4.883,   0.914,   0.003)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       ( 89.152,  70.487, 132.498)  ( 89.246,  70.510, 132.551)  ( 0.11,  0.03,  0.04)
172:     bond    (124.343,  54.798, 117.293)  (124.423,  54.815, 117.335)  ( 0.06,  0.03,  0.04)
172:     angle   (-29.725,  15.057,  14.214)  (-29.711,  15.062,  14.224)  ( 0.05,  0.03,  0.07)
172:     torsion ( -0.151,  -0.795,   0.529)  ( -0.151,  -0.793,   0.530)  ( 0.00,  0.15,  0.05)
172:     vdw     ( -5.315,   1.427,   0.461)  ( -5.315,   1.427,   0.461)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       (-39.154, -178.592, -284.443)  (-39.068, -178.560, -284.388)  ( 0.22,  0.02,  0.02)
172:     bond    (-12.756, -187.831, -286.760)  (-12.680, -187.806, -286.714)  ( 0.59,  0.01,  0.02)
172:     angle   (-31.273,   4.375,   0.135)  (-31.263,   4.379,   0.144)  ( 0.03,  0.11,  0.12)
172:     torsion (  0.549,   2.943,  -1.961)  (  0.549,   2.945,  -1.961)  ( 0.00,  0.06,  0.04)
172:     vdw     (  4.325,   1.921,   4.143)  (  4.325,   1.921,   4.143)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (-335.251,  62.938,   0.691)  (-335.166,  62.974,   0.761)  ( 0.03,  0.06,  4.83)
172:     bond    (-352.029,  66.166,   0.717)  (-351.957,  66.195,   0.779)  ( 0.02,  0.04,  4.44)
172:     angle   ( 14.375,  -2.725,  -0.053)  ( 14.387,  -2.720,  -0.046)  ( 0.08,  0.18,  0.04)
172:     torsion ( -0.006,  -0.053,   0.030)  ( -0.006,  -0.051,   0.031)  ( 0.00,  0.01,  0.00)
172:     vdw     (  2.409,  -0.450,  -0.003)  (  2.409,  -0.450,  -0.003)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       ( 27.195, 180.390, 283.496)  ( 27.286, 180.416, 283.552)  ( 0.33,  0.01,  0.02)
172:     bond    ( 55.263, 179.325, 285.907)  ( 55.344, 179.345, 285.953)  ( 0.15,  0.01,  0.02)
172:     angle   (-30.880,   7.204,  -0.115)  (-30.869,   7.209,  -0.105)  ( 0.03,  0.07,  0.11)
172:     torsion ( -0.520,  -2.785,   1.852)  ( -0.520,  -2.783,   1.852)  ( 0.00,  0.06,  0.04)
172:     vdw     (  3.332,  -3.355,  -4.148)  (  3.332,  -3.355,  -4.148)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       ( 58.413, -98.539, -133.073)  ( 58.501, -98.509, -133.020)  ( 0.15,  0.03,  0.04)
172:     bond    ( 96.824, -96.564, -117.957)  ( 96.897, -96.541, -117.916)  ( 0.08,  0.02,  0.04)
172:     angle   (-33.075,  -3.298, -14.167)  (-33.061,  -3.294, -14.157)  ( 0.04,  0.14,  0.07)
172:     torsion (  0.134,   0.729,  -0.489)  (  0.134,   0.731,  -0.488)  ( 0.00,  0.14,  0.04)
172:     vdw     ( -5.469,   0.595,  -0.460)  ( -5.469,   0.595,  -0.460)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       (101.790, -18.208,  -0.641)  (101.875, -18.136,  -0.611)  ( 0.08,  0.40,  1.91)
172:     bond    (101.062, -18.055,  -0.655)  (101.135, -17.991,  -0.631)  ( 0.07,  0.35,  1.52)
172:     angle   (  0.148,  -0.048,   0.023)  (  0.161,  -0.040,   0.028)  ( 0.18,  0.04,  0.01)
172:     torsion ( -0.000,  -0.002,   0.001)  ( -0.000,  -0.002,   0.002)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.581,  -0.104,  -0.010)  (  0.581,  -0.103,  -0.010)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (-138.785, -13.091,  23.815)  (-138.689, -13.035,  23.838)  ( 0.07,  0.42,  0.10)
172:     bond    (-140.778,   3.720,  13.499)  (-140.696,   3.765,  13.516)  ( 0.06,  1.22,  0.13)
172:     angle   (  6.594, -24.351,  13.745)  (  6.606, -24.342,  13.748)  ( 0.19,  0.04,  0.02)
172:     torsion (  0.047,   0.249,   0.418)  (  0.047,   0.250,   0.420)  ( 0.00,  0.02,  0.09)
172:     vdw     ( -4.485,   7.790,  -4.162)  ( -4.485,   7.790,  -4.162)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.162,  -0.498,   0.315)  ( -0.162,  -0.498,   0.315)  ( 0.00,  0.00,  0.00)
172:  9       (299.960, -16.422, -23.891)  (300.048, -16.362, -23.869)  ( 0.03,  0.36,  0.09)
172:     bond    (133.911, -45.712,  12.147)  (133.988, -45.663,  12.163)  ( 0.06,  0.11,  0.13)
172:     angle   (160.936,  23.671, -32.124)  (160.948,  23.681, -32.121)  ( 0.01,  0.04,  0.01)
172:     torsion ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.009)  ( 0.00,  0.00,  0.00)
172:     vdw     (  5.102,   6.209,  -4.249)  (  5.102,   6.209,  -4.249)  ( 0.00,  0.00,  0.00)
172:     electro (  0.012,  -0.584,   0.346)  (  0.012,  -0.584,   0.346)  ( 0.00,  0.00,  0.00)
172: 10       (-233.469,  43.737,   0.095)  (-233.425,  43.797,   0.119)  ( 0.02,  0.14,  0.23)
172:     bond    (-36.748,   6.966,  -0.083)  (-36.717,   7.023,  -0.062)  ( 0.08,  0.82,  0.18)
172:     angle   (-198.893,  37.174,   0.174)  (-198.881,  37.176,   0.175)  ( 0.01,  0.01,  0.02)
172:     torsion (  0.001,   0.004,   0.006)  (  0.001,   0.004,   0.007)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.172,  -0.406,  -0.002)  (  2.172,  -0.406,  -0.002)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 11       (283.908, -93.274,  23.554)  (284.004, -93.222,  23.576)  ( 0.03,  0.06,  0.09)
172:     bond    (139.738,  -5.983, -12.161)  (139.823,  -5.943, -12.145)  ( 0.06,  0.68,  0.13)
172:     angle   (141.433, -80.187,  31.834)  (141.444, -80.176,  31.838)  ( 0.01,  0.01,  0.01)
172:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.014)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.517,  -7.635,   4.243)  (  2.517,  -7.635,   4.243)  ( 0.00,  0.00,  0.00)
172:     electro (  0.221,   0.540,  -0.346)  (  0.221,   0.540,  -0.346)  ( 0.00,  0.00,  0.00)
172: 12       (-122.480,  60.874, -23.086)  (-122.391,  60.937, -23.063)  ( 0.07,  0.10,  0.10)
172:     bond    (-130.580,  46.096, -12.840)  (-130.504,  46.148, -12.823)  ( 0.06,  0.11,  0.14)
172:     angle   ( 15.105,  20.142, -13.695)  ( 15.117,  20.151, -13.692)  ( 0.08,  0.05,  0.02)
172:     torsion ( -0.045,  -0.242,  -0.407)  ( -0.045,  -0.241,  -0.405)  ( 0.00,  0.02,  0.09)
172:     vdw     ( -6.987,  -5.645,   4.172)  ( -6.987,  -5.645,   4.172)  ( 0.00,  0.00,  0.00)
172:     electro (  0.029,   0.523,  -0.315)  (  0.029,   0.523,  -0.315)  ( 0.00,  0.00,  0.00)
172: 13       ( -9.925,  12.224,  -6.238)  ( -9.911,  12.239,  -6.231)  ( 0.14,  0.12,  0.11)
172:     bond    (  4.051,   4.454,  -3.122)  (  4.061,   4.467,  -3.116)  ( 0.26,  0.28,  0.20)
172:     angle   (-11.210,   7.819,  -3.395)  (-11.207,   7.821,  -3.395)  ( 0.03,  0.02,  0.01)
172:     torsion ( -0.006,  -0.030,  -0.051)  ( -0.006,  -0.030,  -0.050)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -1.943,  -0.290,   0.399)  ( -1.943,  -0.290,   0.399)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.817,   0.271,  -0.069)  ( -0.817,   0.271,  -0.069)  ( 0.00,  0.00,  0.00)
172: 14       (-58.101,  -7.908,  11.227)  (-58.092,  -7.888,  11.233)  ( 0.02,  0.25,  0.06)
172:     bond    ( -5.451,  10.771,  -5.813)  ( -5.446,  10.790,  -5.808)  ( 0.09,  0.17,  0.09)
172:     angle   (-55.786, -18.776,  17.425)  (-55.782, -18.776,  17.426)  ( 0.01,  0.00,  0.00)
172:     torsion (  0.002,   0.013,   0.021)  (  0.002,   0.013,   0.022)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.316,   0.076,  -0.310)  (  2.316,   0.076,  -0.310)  ( 0.00,  0.00,  0.00)
172:     electro (  0.817,   0.009,  -0.097)  (  0.817,   0.009,  -0.097)  ( 0.00,  0.00,  0.00)
172: 15       ( 76.256,  52.092, 107.712)  ( 76.305,  52.140, 107.761)  ( 0.06,  0.09,  0.05)
172:     bond    ( 35.609,  26.240,  49.457)  ( 35.644,  26.277,  49.494)  ( 0.10,  0.14,  0.07)
172:     angle   ( 39.337,  26.345,  57.041)  ( 39.351,  26.356,  57.052)  ( 0.03,  0.04,  0.02)
172:     torsion ( -0.132,  -0.717,   0.478)  ( -0.132,  -0.716,   0.478)  ( 0.00,  0.02,  0.01)
172:     vdw     (  1.442,   0.223,   0.737)  (  1.442,   0.223,   0.737)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 16       ( 44.286,  -8.269,   0.021)  ( 44.306,  -8.267,   0.025)  ( 0.05,  0.03,  0.01)
172:     bond    ( 44.465,  -8.332,  -0.027)  ( 44.486,  -8.331,  -0.027)  ( 0.05,  0.01,  0.00)
172:     angle   (  0.006,   0.030,   0.046)  (  0.006,   0.032,   0.049)  ( 0.00,  0.00,  0.02)
172:     torsion ( -0.001,  -0.003,   0.002)  ( -0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.185,   0.035,   0.000)  ( -0.185,   0.035,   0.001)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 17       ( 11.070, -26.992, -37.858)  ( 11.079, -26.985, -37.845)  ( 0.08,  0.03,  0.03)
172:     bond    ( 20.382, -27.254, -35.045)  ( 20.386, -27.248, -35.034)  ( 0.02,  0.02,  0.03)
172:     angle   (  9.567,   1.260,   4.588)  (  9.572,   1.261,   4.589)  ( 0.05,  0.01,  0.02)
172:     torsion ( -0.026,  -0.136,   0.091)  ( -0.026,  -0.136,   0.091)  ( 0.00,  0.00,  0.00)
172:     vdw     (-18.853,  -0.862,  -7.491)  (-18.852,  -0.862,  -7.491)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 18       ( 51.986, -76.293, -107.219)  ( 52.034, -76.245, -107.170)  ( 0.09,  0.06,  0.05)
172:     bond    ( 23.428, -37.115, -49.146)  ( 23.463, -37.078, -49.109)  ( 0.15,  0.10,  0.08)
172:     angle   ( 27.171, -39.113, -56.891)  ( 27.184, -39.102, -56.879)  ( 0.05,  0.03,  0.02)
172:     torsion (  0.125,   0.664,  -0.443)  (  0.125,   0.664,  -0.443)  ( 0.00,  0.02,  0.01)
172:     vdw     (  1.262,  -0.729,  -0.739)  (  1.262,  -0.729,  -0.739)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 19       ( 20.224,  21.241,  37.963)  ( 20.235,  21.245,  37.975)  ( 0.06,  0.02,  0.03)
172:     bond    ( 29.019,  18.087,  35.138)  ( 29.026,  18.090,  35.149)  ( 0.03,  0.02,  0.03)
172:     angle   (  8.429,  -4.622,  -4.586)  (  8.432,  -4.621,  -4.585)  ( 0.04,  0.02,  0.02)
172:     torsion (  0.025,   0.137,  -0.092)  (  0.025,   0.138,  -0.092)  ( 0.00,  0.00,  0.00)
172:     vdw     (-17.249,   7.639,   7.504)  (-17.249,   7.639,   7.504)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       (-13.482,  -7.871,   6.229)  (-13.474,  -7.850,   6.236)  ( 0.06,  0.26,  0.11)
172:     bond    (  2.196,  -5.711,   3.136)  (  2.199,  -5.691,   3.142)  ( 0.14,  0.35,  0.19)
172:     angle   (-13.116,  -3.204,   3.373)  (-13.111,  -3.203,   3.373)  ( 0.04,  0.01,  0.01)
172:     torsion (  0.005,   0.027,   0.046)  (  0.005,   0.027,   0.046)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -1.707,   0.973,  -0.396)  ( -1.707,   0.973,  -0.396)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.859,   0.043,   0.071)  ( -0.859,   0.043,   0.071)  ( 0.00,  0.00,  0.00)
172: 21       (-51.233,  28.537, -11.269)  (-51.218,  28.550, -11.263)  ( 0.03,  0.05,  0.06)
172:     bond    ( -8.828,  -7.962,   5.713)  ( -8.815,  -7.951,   5.718)  ( 0.15,  0.13,  0.10)
172:     angle   (-45.295,  37.720, -17.368)  (-45.293,  37.722, -17.368)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.015)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.132,  -0.908,   0.306)  (  2.132,  -0.908,   0.306)  ( 0.00,  0.00,  0.00)
172:     electro (  0.759,  -0.304,   0.096)  (  0.759,  -0.304,   0.096)  ( 0.00,  0.00,  0.00)
172: 22       ( 24.108, -32.847,  -9.947)  ( 24.118, -32.831,  -9.938)  ( 0.04,  0.05,  0.10)
172:     bond    ( 14.454, -21.636,  14.894)  ( 14.460, -21.622,  14.901)  ( 0.04,  0.07,  0.05)
172:     angle   (  9.873, -11.881, -26.823)  (  9.876, -11.879, -26.820)  ( 0.03,  0.01,  0.01)
172:     torsion ( -0.023,  -0.003,   0.019)  ( -0.023,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.195,   0.672,   1.962)  ( -0.195,   0.672,   1.962)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 23       ( 27.579,   2.612, -28.301)  ( 27.594,   2.626, -28.294)  ( 0.05,  0.53,  0.02)
172:     bond    ( 19.888,  19.685, -11.092)  ( 19.900,  19.697, -11.088)  ( 0.06,  0.06,  0.03)
172:     angle   (  7.749, -17.983, -18.033)  (  7.752, -17.981, -18.030)  ( 0.03,  0.01,  0.02)
172:     torsion (  0.020,  -0.022,  -0.003)  (  0.020,  -0.022,  -0.003)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.078,   0.933,   0.827)  ( -0.078,   0.933,   0.827)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 24       (-28.691,   9.540,   6.093)  (-28.680,   9.549,   6.107)  ( 0.04,  0.10,  0.23)
172:     bond    (-16.080,  13.930,  19.010)  (-16.071,  13.937,  19.022)  ( 0.05,  0.05,  0.06)
172:     angle   (-34.103,  -6.913, -23.751)  (-34.101,  -6.910, -23.749)  ( 0.01,  0.04,  0.01)
172:     torsion (  0.003,   0.026,  -0.016)  (  0.003,   0.026,  -0.016)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 21.489,   2.497,  10.850)  ( 21.489,   2.497,  10.850)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 25       ( 34.410,  22.071,   9.571)  ( 34.426,  22.081,   9.580)  ( 0.05,  0.04,  0.10)
172:     bond    ( 21.393,  15.082, -15.096)  ( 21.407,  15.089, -15.089)  ( 0.06,  0.05,  0.05)
172:     angle   ( 13.456,   7.526,  26.619)  ( 13.458,   7.528,  26.622)  ( 0.02,  0.04,  0.01)
172:     torsion ( -0.019,   0.010,  -0.017)  ( -0.019,   0.010,  -0.017)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.421,  -0.547,  -1.936)  ( -0.421,  -0.546,  -1.936)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 26       (-30.400,   1.530,  -6.272)  (-30.384,   1.535,  -6.258)  ( 0.05,  0.35,  0.23)
172:     bond    (-20.249,  -7.300, -19.136)  (-20.236,  -7.298, -19.124)  ( 0.07,  0.02,  0.06)
172:     angle   (-29.255,  18.971,  23.710)  (-29.253,  18.975,  23.712)  ( 0.01,  0.02,  0.01)
172:     torsion ( -0.006,  -0.023,   0.014)  ( -0.006,  -0.023,   0.014)  ( 0.00,  0.00,  0.00)
172:     vdw     ( 19.109, -10.119, -10.861)  ( 19.110, -10.119, -10.861)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 27       ( 25.004, -12.499,  28.368)  ( 25.011, -12.478,  28.375)  ( 0.03,  0.17,  0.02)
172:     bond    ( 11.583, -25.719,  11.135)  ( 11.587, -25.699,  11.138)  ( 0.03,  0.08,  0.03)
172:     angle   ( 13.816,  14.065,  18.075)  ( 13.820,  14.066,  18.078)  ( 0.02,  0.01,  0.02)
172:     torsion (  0.024,   0.012,   0.003)  (  0.024,   0.012,   0.003)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.420,  -0.856,  -0.844)  ( -0.420,  -0.856,  -0.844)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 34 # gradients 
172: ok 35 # energy 
172: 
172: V A L I D A T E   G R A D I E N T S
172: 
172: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
172: ----------------------------------------------------------------------------------------
172:  1       (1369.371, 1195.430, 1995.217)  (1369.423, 1195.454, 1995.268)  ( 0.00,  0.00,  0.00)
172:     bond    (1461.461, 1275.601, 2025.255)  (1461.505, 1275.614, 2025.297)  ( 0.00,  0.00,  0.00)
172:     angle   (-94.800, -75.151, -31.579)  (-94.792, -75.141, -31.571)  ( 0.01,  0.01,  0.03)
172:     torsion (  2.079,  -6.467,   0.470)  (  2.079,  -6.467,   0.470)  ( 0.00,  0.01,  0.00)
172:     vdw     (  0.631,   1.447,   1.072)  (  0.631,   1.447,   1.072)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  2       (-181.675, 105.621, 179.573)  (-181.622, 105.667, 179.622)  ( 0.03,  0.04,  0.03)
172:     bond    (-148.144,  60.423, 102.210)  (-148.102,  60.459, 102.246)  ( 0.03,  0.06,  0.04)
172:     angle   (-28.350,  45.228,  69.391)  (-28.340,  45.238,  69.404)  ( 0.04,  0.02,  0.02)
172:     torsion ( -1.446,   1.438,   1.670)  ( -1.446,   1.438,   1.670)  ( 0.02,  0.03,  0.02)
172:     vdw     ( -3.735,  -1.468,   6.302)  ( -3.735,  -1.468,   6.302)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  3       (-132.371, -161.041, 125.197)  (-132.323, -160.993, 125.249)  ( 0.04,  0.03,  0.04)
172:     bond    (-94.820, -119.067, 105.652)  (-94.784, -119.030, 105.693)  ( 0.04,  0.03,  0.04)
172:     angle   (-31.282, -40.683,  10.602)  (-31.271, -40.672,  10.611)  ( 0.03,  0.03,  0.09)
172:     torsion ( -1.488,  -1.816,   0.312)  ( -1.488,  -1.815,   0.312)  ( 0.03,  0.03,  0.01)
172:     vdw     ( -4.780,   0.524,   8.632)  ( -4.780,   0.524,   8.632)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  4       (-15.902, 115.758,  12.897)  (-15.857, 115.778,  12.945)  ( 0.29,  0.02,  0.38)
172:     bond    (-28.066,  85.668,  -9.634)  (-28.027,  85.679,  -9.591)  ( 0.14,  0.01,  0.44)
172:     angle   ( 14.028,  26.175,  23.400)  ( 14.034,  26.182,  23.406)  ( 0.04,  0.03,  0.03)
172:     torsion ( -1.256,   4.948,   0.115)  ( -1.256,   4.948,   0.116)  ( 0.02,  0.01,  0.00)
172:     vdw     ( -0.608,  -1.032,  -0.985)  ( -0.608,  -1.032,  -0.985)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  5       (176.944, -86.116, -142.995)  (176.997, -86.070, -142.947)  ( 0.03,  0.05,  0.03)
172:     bond    (141.110, -61.763, -102.053)  (141.152, -61.727, -102.017)  ( 0.03,  0.06,  0.04)
172:     angle   ( 26.086, -27.000, -36.336)  ( 26.097, -26.991, -36.325)  ( 0.04,  0.03,  0.03)
172:     torsion (  0.894,  -1.212,  -1.769)  (  0.894,  -1.211,  -1.768)  ( 0.03,  0.04,  0.02)
172:     vdw     (  8.855,   3.859,  -2.837)  (  8.855,   3.859,  -2.837)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  6       (157.851, 189.819, -117.633)  (157.899, 189.868, -117.581)  ( 0.03,  0.03,  0.04)
172:     bond    ( 96.212, 121.860, -105.322)  ( 96.248, 121.897, -105.281)  ( 0.04,  0.03,  0.04)
172:     angle   ( 52.701,  64.745,  -8.770)  ( 52.712,  64.757,  -8.760)  ( 0.02,  0.02,  0.11)
172:     torsion (  1.075,   2.443,  -0.727)  (  1.075,   2.444,  -0.727)  ( 0.04,  0.02,  0.02)
172:     vdw     (  7.863,   0.770,  -2.813)  (  7.863,   0.770,  -2.813)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  7       (-133.686, -119.156, -187.980)  (-133.636, -119.106, -187.928)  ( 0.04,  0.04,  0.03)
172:     bond    (-85.996, -97.284, -126.688)  (-85.958, -97.245, -126.649)  ( 0.04,  0.04,  0.03)
172:     angle   (-41.435, -21.293, -53.864)  (-41.424, -21.281, -53.852)  ( 0.03,  0.05,  0.02)
172:     torsion ( -0.017,   0.011,   0.003)  ( -0.017,   0.011,   0.003)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -6.238,  -0.590,  -7.431)  ( -6.238,  -0.590,  -7.430)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:  8       (1573.982, -2052.237, -2187.666)  (1574.030, -2052.177, -2187.611)  ( 0.00,  0.00,  0.00)
172:     bond    (1548.366, -2060.217, -2183.958)  (1548.400, -2060.170, -2183.914)  ( 0.00,  0.00,  0.00)
172:     angle   ( 19.787,   7.107,  -6.660)  ( 19.801,   7.120,  -6.649)  ( 0.07,  0.18,  0.17)
172:     torsion ( -1.000,   2.025,  -1.521)  ( -1.000,   2.025,  -1.521)  ( 0.00,  0.00,  0.02)
172:     vdw     (  2.318,   1.078,   4.865)  (  2.318,   1.078,   4.865)  ( 0.01,  0.01,  0.00)
172:     electro (  4.512,  -2.230,  -0.392)  (  4.512,  -2.230,  -0.392)  ( 0.00,  0.00,  0.00)
172:  9       ( -7.983, -41.507, -35.682)  ( -7.977, -41.500, -35.661)  ( 0.07,  0.02,  0.06)
172:     bond    (  4.870,   5.245, -14.381)  (  4.872,   5.247, -14.361)  ( 0.05,  0.05,  0.14)
172:     angle   (-15.868, -48.162, -22.980)  (-15.864, -48.158, -22.979)  ( 0.02,  0.01,  0.00)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  3.787,   0.954,   0.884)  (  3.787,   0.954,   0.884)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.772,   0.456,   0.795)  ( -0.772,   0.456,   0.795)  ( 0.00,  0.00,  0.00)
172: 10       ( 27.594, -14.399, -46.283)  ( 27.599, -14.375, -46.279)  ( 0.02,  0.17,  0.01)
172:     bond    (  1.010, -10.223,   1.585)  (  1.011, -10.199,   1.586)  ( 0.03,  0.24,  0.04)
172:     angle   ( 30.378,  -4.575, -48.799)  ( 30.382,  -4.575, -48.795)  ( 0.01,  0.00,  0.01)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -1.850,   0.228,   1.522)  ( -1.850,   0.228,   1.522)  ( 0.01,  0.00,  0.01)
172:     electro ( -1.944,   0.171,  -0.592)  ( -1.944,   0.171,  -0.592)  ( 0.00,  0.00,  0.00)
172: 11       (-2877.194, 780.290, 282.207)  (-2877.127, 780.387, 282.225)  ( 0.00,  0.01,  0.01)
172:     bond    (-2944.764, 766.776, 249.933)  (-2944.709, 766.863, 249.945)  ( 0.00,  0.01,  0.01)
172:     angle   ( 71.107,  12.851,  27.872)  ( 71.119,  12.861,  27.874)  ( 0.02,  0.07,  0.01)
172:     torsion (  0.047,  -0.634,   2.789)  (  0.047,  -0.634,   2.791)  ( 0.00,  0.01,  0.08)
172:     vdw     ( -3.584,   1.297,   1.614)  ( -3.584,   1.297,   1.614)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 12       (-70.944, -46.432, -11.513)  (-70.859, -46.350, -11.506)  ( 0.12,  0.18,  0.07)
172:     bond    (-73.273, -87.425, -19.694)  (-73.200, -87.355, -19.690)  ( 0.10,  0.08,  0.02)
172:     angle   (  8.092,  43.087,  10.723)  (  8.105,  43.099,  10.723)  ( 0.15,  0.03,  0.01)
173:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
173:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
173:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
173:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
173:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
173: 13       (-13.757,  -4.403,   1.127)  (-13.752,  -4.397,   1.147)  ( 0.04,  0.15,  1.78)
173:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
173:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
173:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
173:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
173:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
173: 14       (  9.355, -11.349,   3.836)  (  9.361, -11.344,   3.856)  ( 0.06,  0.05,  0.53)
173:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
173:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
173:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
173:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
173:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
173:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
173: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
173:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
173:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
173:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
173:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
173:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
173: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
173:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
173:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
173:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
173:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
173:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
173:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
173:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
173:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
173:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
173:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
173:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
173:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
173:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
173:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
173:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
173:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
173:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
173:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
173:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
173:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
173:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
173:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
173:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
173:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
173:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
173:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
173:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 20 # gradients 
173: ok 21 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
173:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
173:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
173:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
173:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
173:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
173:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
173:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
173:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
173:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
173:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
173:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
173:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
173:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
173:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
173:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
173:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
173:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
173:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
173:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
173:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
173:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
173:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
173:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
173:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
173:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
173:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
173:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
173:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
173:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
173:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
173:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
173:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
173:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
173:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
173:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
173:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
173:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
173:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
173:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
173:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
173:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
173:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
173:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
173:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
173:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
173:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
173:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
173:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
173:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
173:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
173:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
173:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
173:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
173:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
173:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
173:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
173:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
173:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
173:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
173:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
173:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
173:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
173:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
173:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
173:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
173:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
173:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
173:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
173:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
173:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
173:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
173:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
173:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
173:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
173:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
173:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
173:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
173:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
173:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
173:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
173:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
173:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
173:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
173:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
173:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
173:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
173:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
173:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
173:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
173:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
173:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
173:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
173:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
173:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
173:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
173:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
173:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
173:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
173:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
173:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
173:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
173:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
173:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
173:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
173:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
173:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
173:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
173:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
173:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
173:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
173:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
173:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
173:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
173:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
173:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
173:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
173:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
173:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
173: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
173:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
173:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
173:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
173:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
173:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
173:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
173:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
173:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
173: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
173:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
173:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
173:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
173:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
173:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
173:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
173:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
173:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
173:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
173:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
173:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
173:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
173:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
173:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
173:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
173:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
173:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
173:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
173:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
173:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
173:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
173:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
173:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
173:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
173:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
173:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
173:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
173:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
173:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
173:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
173:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
173:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
173:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
173:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
173:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
173: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
173:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
173:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
173:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
173:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
173:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
173:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
173:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
173:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
173:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
173:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
173:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
173:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
173:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
173:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
173:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
173:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
173:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
173:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
173:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
173:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
173:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
173:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
173:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
173:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
173:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
173:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
173:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
173:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
173:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
173:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
173:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
173:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
173:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
173:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
173:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
173:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
173:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
173:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
173:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
173:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
173:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
173:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
173:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
173:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
173:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
173:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
173:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
173:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
173:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
173:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
173:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
173:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
173:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
173:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
173:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
173:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
173:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
173:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
173:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
173:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
173:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
173:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
173:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
173:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
173:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
173:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
173:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
173:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
173:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
173:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
173:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
173:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
173:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
173:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
173:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
173:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
173:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
173:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
173:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
173:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
173:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
173:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
173:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
173:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
173:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
173:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
173:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
173:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
173:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
173:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
173:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
173:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
173:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
173:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
173:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
173:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
173:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
173:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
173:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
173:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
175:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
175:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
175:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
175:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
175:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
175: 13       (-13.749,  -4.822,   1.563)  (-13.744,  -4.816,   1.558)  ( 0.03,  0.14,  0.30)
175:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
175:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
175:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
175:     torsion (  0.058,  -4.145,   1.734)  (  0.058,  -4.145,   1.735)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.001,   0.000,   0.059)  (  0.001,   0.000,   0.049)  ( 0.00,  0.00,  0.06)
175:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
175: 14       (  9.601, -11.203,   4.735)  (  9.607, -11.198,   4.730)  ( 0.06,  0.04,  0.10)
175:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
175:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
175:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
175:     torsion (  2.428,   1.397,   5.331)  (  2.428,   1.397,   5.331)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.001,   0.069)  ( -0.000,   0.001,   0.058)  ( 0.00,  0.00,  0.07)
175:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
175:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
175: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
175:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
175:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
175:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
175:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
175: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
175:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
175:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
175:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
175:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
175:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
175:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.949,   1.850,  -2.966)  ( -0.948,   1.851,  -2.963)  ( 0.08,  0.03,  0.10)
175:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
175:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.009,   1.445,   0.399)  ( -0.009,   1.445,   0.399)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       (  3.215,  -1.417,   1.360)  (  3.216,  -1.414,   1.361)  ( 0.03,  0.21,  0.04)
175:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
175:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.012,  -0.046)  ( -0.000,  -0.012,  -0.046)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (  1.306,   2.523,   1.573)  (  1.307,   2.525,   1.575)  ( 0.07,  0.07,  0.12)
175:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
175:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.038,   1.895,  -1.876)  ( -0.038,   1.895,  -1.876)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       ( -3.084,   0.782,   1.224)  ( -3.081,   0.783,   1.225)  ( 0.08,  0.05,  0.13)
175:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
175:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.641,  -0.927,  -2.234)  ( -1.641,  -0.927,  -2.234)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -2.117,   4.656,   0.658)  ( -2.116,   4.658,   0.658)  ( 0.09,  0.05,  0.05)
175:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
175:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.579,   0.295,  -1.806)  (  0.579,   0.295,  -1.806)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( -0.478,  -1.559,  -3.030)  ( -0.478,  -1.559,  -3.027)  ( 0.03,  0.04,  0.10)
175:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
175:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
175:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.889,  -0.485,   0.185)  ( -0.890,  -0.485,   0.185)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 20 # gradients 
175: ok 21 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
175:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
175:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
175:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
175:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
175:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
175:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
175:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
175:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
175:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
175:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
175:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
175:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
175:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
175:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
175:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
175:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
175:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
175:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
175:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
175:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
175:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
175:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
175:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
175:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
175:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
175:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
175:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
175:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
175:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
175:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
175:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
175:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
175:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
175:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
175:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
175:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
175:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
175:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
175:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
175:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
175:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
175:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
175:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
175:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
175:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
175:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
175:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
175:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
175:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
175:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
175:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
175:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
175:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
175:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
175:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
175:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
175:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
175:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
175:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
175:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
175:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
175:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
175:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
175:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
175:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
175:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
175:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
175:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
175:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
175:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
175:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
175:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
175:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
175:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
175:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
175:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
175:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
175:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
175:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
175:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
175:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
175:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
175:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
175:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
175:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
175:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
175:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
175:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
175:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
175:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
175:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
175:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
175:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
175:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
175:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
175:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
175:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
175:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
175:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
175:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
175:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
175:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
175:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
175:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
175:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
175:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
175:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
175:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
175:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
175:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
175: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
175:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
175:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
175:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
175:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
175:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
175:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
175:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
175: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
175:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
175:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
175:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
175:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
175:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
175:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
175:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
175:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
175:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
175:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
175:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
175:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
175:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
175:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
175:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
175:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
175:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
175:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
175:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
175:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
175:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
175:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
175:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
175:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
175:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
175:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
175:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
175:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
175:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
175:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
175:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
175:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
175:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
175:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
175: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
175:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
175:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
175:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
175:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
175:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
175:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
175:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
175:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
175:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
175:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
175:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
175:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
175:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
175:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
175:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
175:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
175:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
175:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
175:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
175:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
175:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
175:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
175:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
175:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
175:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
175:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
175:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
175:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
175:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
175:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
175:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
175:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
175:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
175:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
175:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
175:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
175:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
175:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
175:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
175:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
175:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
175:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
175:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
175:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
175:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
175:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
175:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
175:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
175:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
175:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
175:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
175:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
175:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
175:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
175:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
175:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
175:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
175:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
175:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
175:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
175:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
175:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
175:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
175:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
175:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
175:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
175:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
175:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
175:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
175:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
175:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
175:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
175:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
175:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
175:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
175:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
175:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
175:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
175:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
175:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
175:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
175:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
175:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
175:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
175:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
175:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
175:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
175:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
175:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
177:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
177:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
177:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
177:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
177:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
177:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
177:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
177:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
177:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
177:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
177:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 18 # gradients 
177: ok 19 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( 45.804,   8.666,   0.052)  ( 45.812,   8.674,   0.106)  ( 0.02,  0.10,  0.28)
177:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
177:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
177:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
177:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
177:     electro (  0.603,   0.747,  -0.004)  (  0.603,   0.747,  -0.004)  ( 0.00,  0.00,  0.00)
177:  2       (-58.580, -33.101,  -2.074)  (-58.570, -33.093,  -1.963)  ( 0.02,  0.02,  5.36)
177:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
177:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
177:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
177:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
177:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.561,   2.042,   0.005)  ( -0.561,   2.042,   0.005)  ( 0.00,  0.00,  0.00)
177:  3       ( 29.955, -13.583,   1.499)  ( 29.962, -13.574,   1.374)  ( 0.02,  0.06,  8.32)
177:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
177:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
177:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
177:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.008,  -0.220,  -0.006)  ( -2.008,  -0.220,  -0.006)  ( 0.00,  0.00,  0.00)
177:  4       (  5.799,   3.052,  -0.989)  (  5.809,   3.064,  -0.869)  ( 0.17,  0.41, 11.90)
177:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
177:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
177:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
177:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.885,  -2.616,  -0.000)  ( -1.885,  -2.616,  -0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( 35.971,  57.674,  -1.797)  ( 35.974,  57.682,  -1.824)  ( 0.01,  0.01,  1.53)
177:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
177:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
177:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
177:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.039,  -1.196,   0.010)  ( -1.039,  -1.196,   0.010)  ( 0.00,  0.00,  0.00)
177:  6       ( -1.213,  11.041,   0.106)  ( -1.205,  11.049,  -0.021)  ( 0.68,  0.07,  1.35)
177:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
177:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
177:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
177:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
177:     electro (  0.348,  -0.695,  -0.005)  (  0.348,  -0.695,  -0.005)  ( 0.00,  0.00,  0.00)
177:  7       (-20.145,  -5.329,  -0.891)  (-20.132,  -5.320,  -0.769)  ( 0.07,  0.16, 10.85)
177:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
177:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
177:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
177:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
177:     electro (  4.583,   1.466,   0.001)  (  4.583,   1.466,   0.001)  ( 0.00,  0.00,  0.00)
177:  8       (-52.573,  -1.900,  -0.457)  (-52.562,  -1.899,  -0.525)  ( 0.02,  0.06,  3.09)
177:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
177:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
177:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
177:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
177:     electro (  0.615,  -0.099,  -0.017)  (  0.615,  -0.099,  -0.017)  ( 0.00,  0.00,  0.00)
177:  9       (-31.749, -12.688,  -0.521)  (-31.740, -12.679,  -0.557)  ( 0.03,  0.06,  1.90)
177:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
177:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
177:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
177:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
177:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.095,   0.172,   0.001)  ( -0.095,   0.172,   0.001)  ( 0.00,  0.00,  0.00)
177: 10       (-10.933, -27.650,  -0.039)  (-10.928, -27.644,  -0.102)  ( 0.04,  0.02,  0.25)
177:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
177:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
177:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.259,   1.410,   0.007)  ( -0.259,   1.410,   0.007)  ( 0.00,  0.00,  0.00)
177: 11       ( 35.883,   8.664,  -0.338)  ( 35.889,   8.671,  -0.245)  ( 0.02,  0.08,  3.13)
177:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
177:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
177:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
177:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
177:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.018,  -0.019,  -0.000)  ( -0.018,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
177: 12       ( 17.293,   2.712,   1.183)  ( 17.298,   2.719,   1.174)  ( 0.03,  0.24,  0.78)
177:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
177:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
177:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
177:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
177:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.199,   0.482,   0.005)  ( -0.199,   0.482,   0.005)  ( 0.00,  0.00,  0.00)
177: 13       (-10.045,  -5.608,   1.125)  (-10.040,  -5.601,   1.145)  ( 0.05,  0.12,  1.79)
177:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
177:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
177:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
177:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
177:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.238,   0.401,   0.001)  ( -1.238,   0.401,   0.001)  ( 0.00,  0.00,  0.00)
177: 14       (  6.287,  -6.477,   3.822)  (  6.293,  -6.472,   3.842)  ( 0.10,  0.08,  0.53)
177:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
177:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
177:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
177:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
177:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
177:     electro (  1.023,  -1.624,   0.005)  (  1.023,  -1.624,   0.005)  ( 0.00,  0.00,  0.00)
177: 15       ( -0.856,   6.294,   0.492)  ( -0.855,   6.299,   0.441)  ( 0.07,  0.08,  2.50)
177:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
177:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
177:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
177:     electro (  0.130,  -0.252,  -0.003)  (  0.130,  -0.252,  -0.003)  ( 0.00,  0.00,  0.00)
177: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
177:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
177:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
177:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
177:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
177:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
177:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
177:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
177:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
177:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
177:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
177:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
177:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
177:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
177:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
177:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
177:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
177:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
177:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
177:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 20 # gradients 
177: ok 21 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  1.436,   0.635,  -0.080)  (  1.441,   0.640,  -0.074)  ( 0.35,  0.34,  0.05)
177:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
177:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
177:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
177:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.156,  -0.125,  -0.039)  ( -0.156,  -0.125,  -0.039)  ( 0.00,  0.00,  0.00)
177:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
177:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
177:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
177:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
177:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
177:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
177:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
177:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
177:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (  1.512,   0.156,  -0.055)  (  1.517,   0.176,   0.019)  ( 0.34,  0.31,  0.40)
177:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
177:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
177:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
177:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
177:     electro (  0.063,   0.099,   0.121)  (  0.063,   0.099,   0.121)  ( 0.00,  0.00,  0.00)
177:  5       ( -8.945,   4.312,  -0.274)  ( -8.934,   4.277,  -0.481)  ( 0.12,  0.80,  5.66)
177:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
177:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
177:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
177:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
177:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
177:     electro (  0.355,   0.083,  -0.040)  (  0.355,   0.083,  -0.040)  ( 0.00,  0.00,  0.00)
177:  6       (  8.712,  -4.725,   1.481)  (  8.721,  -4.712,   1.502)  ( 0.11,  0.28,  1.43)
177:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
177:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
177:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
177:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
177:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
177:     electro (  0.032,   0.028,  -0.096)  (  0.032,   0.028,  -0.096)  ( 0.00,  0.00,  0.00)
177:  7       ( -1.422,   0.562,  -0.406)  ( -1.418,   0.571,  -0.376)  ( 0.28,  0.47,  1.19)
177:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
177:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
177:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
177:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
177:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
177:     electro (  0.204,  -0.039,   0.041)  (  0.204,  -0.039,   0.041)  ( 0.00,  0.00,  0.00)
177:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
177:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
177:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
177:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
177:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
177:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
177:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
177:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
177:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
177:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
177:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
177:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
177:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
177:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
177:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
177:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
177:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
177:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
177:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
177:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
177:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
177:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
177:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
177:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
177:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
177:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
177:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
177:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
177:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
177:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
177:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
177:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
177:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
177:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
177:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
177:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
177:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
177:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
177:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
177:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
177:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
177:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
177:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
177:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
177:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
177:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
177:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
177:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
177:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
177:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
177:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
177:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
177:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
177:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
177:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
177:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
177:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
177:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
177:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
177:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
177:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
177:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
177:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
177:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
177:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
177:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
177:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
177:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       (  1.702,  -0.982,   0.019)  (  1.706,  -0.964,   0.099)  ( 0.20,  1.69,  0.15)
177:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
177:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
177:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
177:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
177:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.155,   0.173,   0.037)  ( -0.155,   0.173,   0.037)  ( 0.00,  0.00,  0.00)
177: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
177:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
177:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
177:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
177:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (  2.639,  -0.334,  -0.722)  (  2.643,  -0.333,  -0.718)  ( 0.16,  0.06,  0.35)
177:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
177:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
177:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.581,  -0.048,  -0.068)  ( -0.581,  -0.048,  -0.068)  ( 0.00,  0.00,  0.00)
177: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
177:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
177:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
177:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
177:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
177:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
177:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
177:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
177:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
177:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
177:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
177:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
177:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
177:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
177:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
177:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
177:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
177:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
177:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
177:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
177:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
177:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
177:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
177:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
177:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
177:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
177:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
177:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
177:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
177:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 39       ( -0.459,   2.457,  -0.480)  ( -0.460,   2.464,  -0.456)  ( 0.02,  0.30,  1.11)
177:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
177:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
177:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
177:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
177:     electro (  0.219,  -0.174,   0.085)  (  0.219,  -0.174,   0.085)  ( 0.00,  0.00,  0.00)
177: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
177:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
177:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
177:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
177:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
177:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
177:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
177:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
177:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
177:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
177:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
177:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
177:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
177:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
177:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
177:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
177:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
177:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
177:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
177:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
177:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
177:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
177:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
177:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
177:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
177:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
177:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
177:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
177:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
177:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
177:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
177:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
177:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
177:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
177:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
177:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
177:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
177:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
177:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
177:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
177:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
177:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
177:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
177:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.986, -12.988,  -6.874)  (  0.986, -12.988,  -6.874)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-71.366, -3248.159, 6275.535)  ( 18.746, -3255.267, 6213.962)  (126.27,  0.22,  0.98)
179:     bond    (-24.751,  -1.393, -11.881)  (-24.732,  -1.375, -11.844)  ( 0.08,  1.31,  0.31)
179:     angle   ( 96.308, -3293.527, 6182.157)  ( 96.347, -3293.377, 6182.697)  ( 0.04,  0.00,  0.01)
179:     torsion ( 35.429, -20.000, -40.923)  ( 35.428, -19.999, -40.925)  ( 0.00,  0.00,  0.01)
179:     oop     (-188.460,  78.650, 129.944)  (-98.405,  71.374,  67.796)  (47.78,  9.25, 47.83)
179:     vdw     ( 10.107, -11.890,  16.238)  ( 10.108, -11.890,  16.238)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (-2429.877, -941.912, -3598.395)  (-2440.493, -931.780, -3592.480)  ( 0.44,  1.08,  0.16)
179:     bond    (  5.843,   7.534,  -6.324)  (  5.851,   7.567,  -6.314)  ( 0.13,  0.44,  0.16)
179:     angle   (-2494.865, -915.953, -3613.099)  (-2494.774, -915.935, -3612.911)  ( 0.00,  0.00,  0.01)
179:     torsion ( 12.549,  10.708,  27.711)  ( 12.517,  10.708,  27.682)  ( 0.25,  0.00,  0.10)
179:     oop     ( 38.865, -36.829, -21.148)  ( 28.182, -26.749, -15.402)  (27.49, 27.37, 27.17)
179:     vdw     (  7.730,  -7.371,  14.464)  (  7.730,  -7.371,  14.465)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       (2275.150, 4110.172, -2528.710)  (2235.661, 4108.150, -2502.586)  ( 1.74,  0.05,  1.03)
179:     bond    ( -0.918,  -0.369,  -1.437)  ( -0.909,  -0.368,  -1.414)  ( 0.86,  0.06,  1.58)
179:     angle   (2212.532, 4119.830, -2494.022)  (2212.617, 4120.053, -2493.951)  ( 0.00,  0.01,  0.00)
179:     torsion (-23.370,   9.163,  12.638)  (-23.369,   9.163,  12.639)  ( 0.00,  0.00,  0.00)
179:     oop     ( 82.164, -23.441, -46.720)  ( 42.580, -25.687, -20.690)  (48.18,  9.58, 55.71)
179:     vdw     (  4.741,   4.990,   0.830)  (  4.742,   4.990,   0.830)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( 29.563, 159.802, -18.007)  ( 29.576, 159.805, -18.005)  ( 0.05,  0.00,  0.01)
179:     bond    (  9.037,  -1.524,  -0.203)  (  9.050,  -1.524,  -0.203)  ( 0.15,  0.03,  0.00)
179:     angle   ( 28.049, 169.417, -21.211)  ( 28.049, 169.420, -21.210)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.210,   0.398,   6.373)  (  0.210,   0.398,   6.374)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -7.733,  -8.489,  -2.966)  ( -7.733,  -8.489,  -2.966)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (110.511,  89.033, -82.861)  (110.514,  89.041, -82.852)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.003,   1.672,   1.773)  (  0.003,   1.679,   1.780)  ( 0.00,  0.39,  0.41)
179:     angle   (113.837,  88.441, -83.579)  (113.839,  88.441, -83.577)  ( 0.00,  0.00,  0.00)
179:     torsion ( -2.557,   1.919,  -1.806)  ( -2.557,   1.919,  -1.805)  ( 0.01,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.771,  -2.999,   0.751)  ( -0.771,  -2.998,   0.751)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (164.360,  93.375,  89.660)  (164.363,  93.382,  89.669)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.190,   3.711,  -4.053)  (  0.190,   3.718,  -4.045)  ( 0.00,  0.17,  0.19)
179:     angle   (165.611,  99.178,  98.925)  (165.613,  99.178,  98.927)  ( 0.00,  0.00,  0.00)
179:     torsion (  3.499,  -3.086,  -2.672)  (  3.499,  -3.086,  -2.672)  ( 0.01,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.940,  -6.429,  -2.540)  ( -4.939,  -6.429,  -2.540)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( 23.106,  96.329,  38.306)  ( 23.112,  96.336,  38.316)  ( 0.02,  0.01,  0.03)
179:     bond    (  3.354,  -4.340,   8.483)  (  3.355,  -4.337,   8.493)  ( 0.05,  0.06,  0.12)
179:     angle   ( 24.599,  88.887,  35.672)  ( 24.602,  88.890,  35.672)  ( 0.01,  0.00,  0.00)
179:     torsion (  9.356,  -0.208,  -3.802)  (  9.357,  -0.207,  -3.802)  ( 0.01,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.202,  11.990,  -2.047)  (-14.202,  11.990,  -2.047)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (106.847,   7.352,  -6.537)  (106.852,   7.358,  -6.526)  ( 0.00,  0.08,  0.17)
179:     bond    (  0.265,  10.534,  16.212)  (  0.265,  10.538,  16.222)  ( 0.00,  0.04,  0.06)
179:     angle   (116.143,   9.693,  -8.196)  (116.147,   9.694,  -8.196)  ( 0.00,  0.01,  0.01)
179:     torsion (-14.500, -13.124,   8.762)  (-14.500, -13.123,   8.762)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.940,   0.249, -23.314)  (  4.940,   0.249, -23.314)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (-53.936,   9.882, -76.119)  (-53.930,   9.894, -76.116)  ( 0.01,  0.13,  0.00)
179:     bond    ( -3.527,  -8.677,   1.493)  ( -3.525,  -8.666,   1.493)  ( 0.06,  0.13,  0.03)
179:     angle   (-62.327,  13.662, -67.852)  (-62.324,  13.663, -67.850)  ( 0.00,  0.00,  0.00)
179:     torsion (  9.678,  -4.462,  -3.046)  (  9.678,  -4.462,  -3.046)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.240,   9.359,  -6.714)  (  2.241,   9.359,  -6.713)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (-78.890, -72.710, -158.807)  (-78.878, -72.707, -158.804)  ( 0.02,  0.00,  0.00)
179:     bond    (  3.533,  -1.023,  -1.278)  (  3.545,  -1.022,  -1.276)  ( 0.32,  0.09,  0.12)
179:     angle   (-82.209, -82.772, -162.066)  (-82.208, -82.771, -162.064)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.249,   2.761,  -1.520)  (  0.249,   2.761,  -1.519)  ( 0.00,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.463,   8.324,   6.056)  ( -0.463,   8.325,   6.056)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( 54.476, -88.167, -69.420)  ( 54.480, -88.162, -69.409)  ( 0.01,  0.01,  0.02)
179:     bond    ( -3.009,   4.808,  -9.022)  ( -3.008,   4.811,  -9.012)  ( 0.04,  0.06,  0.11)
179:     angle   ( 60.074, -98.874, -72.827)  ( 60.076, -98.872, -72.827)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.594,  -0.810,   0.099)  ( -1.594,  -0.810,   0.099)  ( 0.03,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.995,   6.710,  12.331)  ( -0.995,   6.710,  12.331)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( 78.432,  -9.054, -127.914)  ( 78.437,  -9.043, -127.911)  ( 0.01,  0.13,  0.00)
179:     bond    (  0.761,   1.681,   0.278)  (  0.763,   1.693,   0.278)  ( 0.17,  0.67,  0.01)
179:     angle   ( 80.775, -14.566, -132.840)  ( 80.777, -14.566, -132.837)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.481,  -0.260,   0.258)  (  0.482,  -0.259,   0.258)  ( 0.02,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.585,   4.090,   4.389)  ( -3.585,   4.090,   4.389)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (-51.535,  44.398,  45.791)  (-51.131,  44.805,  46.918)  ( 0.78,  0.92,  2.46)
179:     bond    ( -5.493,  -9.604,   5.333)  ( -5.490,  -9.595,   5.336)  ( 0.06,  0.10,  0.05)
179:     angle   (-27.870,   8.136, -14.040)  (-27.867,   8.137, -14.040)  ( 0.01,  0.01,  0.00)
179:     torsion (-20.060,  46.688,  63.308)  (-20.060,  46.688,  63.309)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.278,  -2.485,  -6.811)  ( -1.880,  -2.088,  -5.689)  (17.47, 15.96, 16.48)
179:     vdw     (  4.166,   1.663,  -1.999)  (  4.167,   1.663,  -1.999)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (139.004, -88.908, -249.742)  (137.065, -87.642, -246.362)  ( 1.39,  1.42,  1.35)
179:     bond    ( -4.791,  -1.212,  -2.309)  ( -4.779,  -1.211,  -2.306)  ( 0.24,  0.06,  0.12)
179:     angle   ( -5.602, -26.885,  25.728)  ( -5.602, -26.882,  25.729)  ( 0.00,  0.01,  0.00)
179:     torsion (141.462, -55.192, -264.132)  (141.462, -55.192, -264.135)  ( 0.00,  0.00,  0.00)
179:     oop     (  5.926,  -3.391, -10.499)  (  3.975,  -2.129,  -7.119)  (32.92, 37.22, 32.19)
179:     vdw     (  2.008,  -2.228,   1.470)  (  2.008,  -2.228,   1.470)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       (-100.572, -46.189,  20.393)  (-97.540, -41.908,  19.841)  ( 3.01,  9.27,  2.70)
179:     bond    ( -2.799,   0.425, -11.770)  ( -2.798,   0.426, -11.755)  ( 0.03,  0.00,  0.12)
179:     angle   (-15.348,  37.830,   5.022)  (-15.346,  37.831,   5.022)  ( 0.01,  0.00,  0.00)
179:     torsion (-75.920, -74.809,  15.364)  (-75.922, -74.812,  15.364)  ( 0.00,  0.00,  0.00)
179:     oop     ( -7.652, -11.933,   1.389)  ( -4.622,  -7.649,   0.823)  (39.60, 35.90, 40.75)
179:     vdw     (  1.147,   2.297,  10.387)  (  1.147,   2.297,  10.387)  ( 0.02,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (-336.241, 574.483, -339.541)  (-334.757, 575.588, -337.085)  ( 0.44,  0.19,  0.72)
179:     bond    (  3.945,   0.719,  -2.690)  (  3.955,   0.720,  -2.685)  ( 0.25,  0.03,  0.17)
179:     angle   (-310.864, 492.121, -326.047)  (-310.851, 492.147, -326.037)  ( 0.00,  0.01,  0.00)
179:     torsion (-22.615,  92.362,  -8.563)  (-22.615,  92.362,  -8.562)  ( 0.00,  0.00,  0.01)
179:     oop     ( -4.712,  -5.306,  -8.363)  ( -3.252,  -4.227,  -5.923)  (30.98, 20.34, 29.17)
179:     vdw     ( -1.995,  -5.414,   6.122)  ( -1.995,  -5.413,   6.122)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       (-15.151,   2.263,  81.298)  (-15.139,   2.270,  81.302)  ( 0.08,  0.34,  0.00)
179:     bond    ( 19.096,  11.184,   2.759)  ( 19.107,  11.188,   2.759)  ( 0.05,  0.03,  0.01)
179:     angle   (-18.411,   8.591,  92.628)  (-18.410,   8.594,  92.630)  ( 0.01,  0.03,  0.00)
179:     torsion ( -8.884,  12.396,  11.251)  ( -8.884,  12.397,  11.251)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.952, -29.909, -25.340)  ( -6.952, -29.908, -25.339)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (-41.569, -30.088, 123.256)  (-41.566, -30.074, 123.259)  ( 0.01,  0.05,  0.00)
179:     bond    ( -0.641,   4.990,   0.937)  ( -0.641,   5.004,   0.937)  ( 0.02,  0.26,  0.05)
179:     angle   (-51.949, -30.836, 129.092)  (-51.947, -30.835, 129.094)  ( 0.00,  0.00,  0.00)
179:     torsion (  7.939,   0.218,   4.263)  (  7.940,   0.218,   4.263)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.082,  -4.461, -11.036)  (  3.082,  -4.461, -11.036)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (-92.387,  60.898,  62.401)  (-92.381,  60.901,  62.412)  ( 0.01,  0.01,  0.02)
179:     bond    (  2.122,  -1.132,   4.187)  (  2.125,  -1.131,   4.197)  ( 0.13,  0.07,  0.25)
179:     angle   (-96.594,  67.358,  67.047)  (-96.591,  67.360,  67.047)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.211,  -2.108,   0.045)  ( -1.211,  -2.108,   0.045)  ( 0.01,  0.02,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.296,  -3.220,  -8.878)  (  3.296,  -3.220,  -8.878)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  1.956,  69.960, 117.238)  (  1.968,  69.963, 117.241)  ( 0.62,  0.01,  0.00)
179:     bond    ( -3.614,  -1.283,   0.787)  ( -3.602,  -1.282,   0.788)  ( 0.33,  0.12,  0.05)
179:     angle   (  2.595,  69.724, 125.283)  (  2.595,  69.726, 125.285)  ( 0.01,  0.00,  0.00)
179:     torsion ( -1.096,   2.248,  -1.352)  ( -1.096,   2.249,  -1.352)  ( 0.01,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.071,  -0.730,  -7.481)  (  4.071,  -0.730,  -7.481)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       ( 55.911, -53.509, -77.574)  ( 55.901, -53.490, -77.584)  ( 0.02,  0.04,  0.01)
179:     bond    (  2.467,   6.482,  -2.894)  (  2.470,   6.500,  -2.890)  ( 0.11,  0.29,  0.13)
179:     angle   ( 68.061, -54.217, -63.765)  ( 68.059, -54.217, -63.767)  ( 0.00,  0.00,  0.00)
179:     torsion (-10.559,  -0.725, -10.654)  (-10.569,  -0.725, -10.664)  ( 0.10,  0.00,  0.10)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.059,  -5.049,  -0.262)  ( -4.059,  -5.049,  -0.262)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 30 # gradients 
179: ok 31 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( 76.598, -137.678, -29.141)  ( 76.810, -137.346, -29.823)  ( 0.28,  0.24,  2.34)
179:     bond    ( 90.698,   4.504,  26.887)  ( 90.717,   4.522,  26.905)  ( 0.02,  0.40,  0.07)
179:     angle   (  1.623, -114.544, -45.076)  (  1.632, -114.533, -45.068)  ( 0.56,  0.01,  0.02)
179:     torsion ( -0.161,   1.696,   0.297)  ( -0.162,   1.695,   0.296)  ( 0.00,  0.09,  0.02)
179:     oop     ( -1.255,  -2.021,   4.821)  ( -1.071,  -1.717,   4.113)  (14.66, 15.01, 14.68)
179:     vdw     (-14.307, -27.313, -16.070)  (-14.307, -27.312, -16.070)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-152.928, 235.846,  12.867)  (-153.710, 234.463,  16.343)  ( 0.51,  0.59, 27.02)
179:     bond    ( 18.688, 120.062,  50.687)  ( 18.719, 120.102,  50.695)  ( 0.16,  0.03,  0.02)
179:     angle   (-160.218, 103.423,  16.382)  (-160.193, 103.435,  16.386)  ( 0.02,  0.01,  0.03)
179:     torsion (  5.513,  10.248, -27.387)  (  5.513,  10.248, -27.383)  ( 0.00,  0.00,  0.01)
179:     oop     (  4.728,   8.056, -19.476)  (  3.891,   6.620, -16.015)  (17.71, 17.82, 17.77)
179:     vdw     (-21.640,  -5.943,  -7.340)  (-21.639,  -5.943,  -7.340)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-20.273, -42.385,   1.840)  (-20.269, -42.372,   1.841)  ( 0.02,  0.03,  0.07)
179:     bond    (-14.015, -41.334,   3.370)  (-14.014, -41.322,   3.369)  ( 0.01,  0.03,  0.00)
179:     angle   (  3.142,  -1.541,  -5.821)  (  3.144,  -1.541,  -5.819)  ( 0.08,  0.02,  0.04)
179:     torsion ( -1.299,   0.808,   4.512)  ( -1.299,   0.808,   4.511)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.100,  -0.318,  -0.220)  ( -8.100,  -0.318,  -0.220)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (-39.832,  20.635,  23.062)  (-39.825,  20.640,  23.068)  ( 0.02,  0.03,  0.03)
179:     bond    (-24.926,  24.974,  25.987)  (-24.922,  24.978,  25.992)  ( 0.02,  0.02,  0.02)
179:     angle   ( 15.098,   9.421,   5.421)  ( 15.099,   9.423,   5.422)  ( 0.01,  0.02,  0.03)
179:     torsion (  0.391,   2.228,  -1.766)  (  0.391,   2.227,  -1.766)  ( 0.00,  0.02,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-30.394, -15.988,  -6.580)  (-30.393, -15.988,  -6.581)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -7.315,   8.380, -46.059)  ( -7.312,   8.382, -46.046)  ( 0.04,  0.03,  0.03)
179:     bond    ( -4.168,  14.030, -42.962)  ( -4.168,  14.031, -42.950)  ( 0.00,  0.01,  0.03)
179:     angle   ( -2.135,  -0.984,  -0.114)  ( -2.132,  -0.982,  -0.114)  ( 0.13,  0.17,  0.00)
179:     torsion (  0.677,  -4.782,  -1.628)  (  0.677,  -4.782,  -1.628)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.689,   0.115,  -1.355)  ( -1.689,   0.115,  -1.355)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (  4.958,  25.627,  23.772)  (  5.299,  26.233,  22.406)  ( 6.88,  2.36,  5.74)
179:     bond    (-21.244,  25.105,   5.717)  (-21.230,  25.124,   5.718)  ( 0.06,  0.08,  0.02)
179:     angle   ( 48.589,  35.818,  23.035)  ( 48.594,  35.820,  23.036)  ( 0.01,  0.01,  0.01)
179:     torsion (  0.668,   0.795,  -1.016)  (  0.668,   0.796,  -1.015)  ( 0.00,  0.01,  0.08)
179:     oop     ( -1.540,  -2.789,   6.534)  ( -1.219,  -2.206,   5.165)  (20.84, 20.91, 20.95)
179:     vdw     (-21.515, -33.302, -10.497)  (-21.514, -33.301, -10.497)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (334.388, -338.993, 147.058)  (335.030, -337.932, 144.745)  ( 0.19,  0.31,  1.57)
179:     bond    (245.959, -148.392,  15.324)  (245.992, -148.360,  15.334)  ( 0.01,  0.02,  0.06)
179:     angle   (112.192, -138.270, -14.395)  (112.209, -138.258, -14.391)  ( 0.02,  0.01,  0.03)
179:     torsion (-32.536, -52.538, 128.814)  (-32.536, -52.537, 128.821)  ( 0.00,  0.00,  0.01)
179:     oop     ( -3.401,  -6.088,  13.818)  ( -2.811,  -5.072,  11.483)  (17.33, 16.68, 16.89)
179:     vdw     ( 12.174,   6.296,   3.499)  ( 12.175,   6.296,   3.499)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( -8.811, 126.417, -29.683)  ( -8.901, 126.178, -29.189)  ( 1.03,  0.19,  1.66)
179:     bond    (-53.853,  48.848,  13.498)  (-53.841,  48.858,  13.499)  ( 0.02,  0.02,  0.00)
179:     angle   (  9.070,   9.509,   1.761)  (  9.073,   9.511,   1.763)  ( 0.03,  0.02,  0.07)
179:     torsion ( 11.812,  29.617, -60.086)  ( 11.812,  29.617, -60.084)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.707,   1.694,  -3.314)  (  0.601,   1.442,  -2.824)  ( 7.48, 14.87, 14.78)
179:     vdw     ( 23.453,  36.748,  18.458)  ( 23.454,  36.749,  18.458)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-1129.448, 408.109, 803.258)  (-1125.406, 411.794, 805.177)  ( 0.36,  0.90,  0.24)
179:     bond    (-103.997, -219.107, -21.476)  (-103.967, -219.084, -21.459)  ( 0.03,  0.01,  0.08)
179:     angle   (-985.550, 675.773, 895.974)  (-985.487, 675.798, 896.010)  ( 0.01,  0.00,  0.00)
179:     torsion (-26.441, -47.964, -67.461)  (-26.439, -47.965, -67.460)  ( 0.01,  0.00,  0.00)
179:     oop     (-14.976, -16.611, -10.251)  (-11.030, -12.972,  -8.386)  (26.35, 21.91, 18.19)
179:     vdw     (  1.516,  16.018,   6.470)  (  1.516,  16.018,   6.470)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  8.029, -76.726, 190.394)  (  9.000, -73.463, 192.664)  (12.09,  4.25,  1.19)
179:     bond    ( 15.804,  -6.508, 213.853)  ( 15.823,  -6.489, 213.880)  ( 0.12,  0.29,  0.01)
179:     angle   (  9.137, -63.701,  54.991)  (  9.152, -63.687,  55.003)  ( 0.17,  0.02,  0.02)
179:     torsion (-28.028, -14.619, -75.931)  (-28.027, -14.619, -75.931)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.980,  -7.720,  -5.117)  ( -2.045,  -4.489,  -2.888)  (31.36, 41.85, 43.56)
179:     vdw     ( 14.096,  15.821,   2.599)  ( 14.097,  15.821,   2.599)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (544.685, -647.845, 1144.815)  (544.894, -657.097, 1142.418)  ( 0.04,  1.43,  0.21)
179:     bond    (-40.591, 144.077, -20.199)  (-40.554, 144.089, -20.173)  ( 0.09,  0.01,  0.13)
179:     angle   (535.295, -1038.003, 1214.776)  (535.321, -1037.947, 1214.846)  ( 0.00,  0.01,  0.01)
179:     torsion ( 63.501, 230.066, -53.972)  ( 63.502, 230.066, -53.971)  ( 0.00,  0.00,  0.00)
179:     oop     ( -7.658,   9.010,   0.631)  ( -7.513,  -0.311,  -1.864)  ( 1.89, 103.45, 157.50)
179:     vdw     ( -5.862,   7.006,   3.579)  ( -5.862,   7.006,   3.579)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-25.017, -39.696, -27.520)  (-25.013, -39.690, -27.509)  ( 0.02,  0.01,  0.04)
179:     bond    ( -6.707, -23.865, -40.222)  ( -6.707, -23.862, -40.212)  ( 0.00,  0.01,  0.02)
179:     angle   (-28.615, -11.370,  11.517)  (-28.612, -11.367,  11.518)  ( 0.01,  0.02,  0.01)
179:     torsion ( -9.304, -13.104,   9.328)  ( -9.303, -13.104,   9.328)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 19.609,   8.643,  -8.142)  ( 19.610,   8.643,  -8.142)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( 14.290, -30.906,   7.031)  ( 14.305, -30.891,   7.038)  ( 0.10,  0.05,  0.10)
179:     bond    ( 22.217, -114.854,  49.575)  ( 22.229, -114.844,  49.577)  ( 0.05,  0.01,  0.01)
179:     angle   (-20.686,  71.228, -58.832)  (-20.684,  71.233, -58.828)  ( 0.01,  0.01,  0.01)
179:     torsion ( 13.827,   0.411,  30.482)  ( 13.827,   0.411,  30.482)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.068,  12.309, -14.194)  ( -1.067,  12.309, -14.194)  ( 0.06,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (450.743, 515.255, -2323.120)  (436.192, 499.530, -2328.636)  ( 3.23,  3.05,  0.24)
179:     bond    ( 50.241,  79.598, -257.048)  ( 50.261,  79.608, -256.999)  ( 0.04,  0.01,  0.02)
179:     angle   (369.051, 422.919, -2133.459)  (369.088, 422.948, -2133.288)  ( 0.01,  0.01,  0.01)
179:     torsion ( 28.006, -43.443,  37.340)  ( 28.009, -43.441,  37.342)  ( 0.01,  0.00,  0.00)
179:     oop     ( 50.745,  61.195,  23.986)  ( 36.133,  45.430,  18.249)  (28.80, 25.76, 23.92)
179:     vdw     (-47.301,  -5.015,   6.060)  (-47.300,  -5.015,   6.061)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( 51.105,  27.669,  35.997)  ( 51.110,  27.681,  36.000)  ( 0.01,  0.05,  0.01)
179:     bond    (  1.170,  30.496,   9.172)  (  1.170,  30.509,   9.173)  ( 0.01,  0.04,  0.01)
179:     angle   ( 49.658,  -2.031,   0.416)  ( 49.663,  -2.031,   0.418)  ( 0.01,  0.01,  0.09)
179:     torsion (  2.337,  -6.343,  20.800)  (  2.338,  -6.343,  20.800)  ( 0.02,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.061,   5.547,   5.609)  ( -2.060,   5.547,   5.609)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( 17.575,  15.812,  76.004)  ( 27.725,  27.937,  79.728)  (57.75, 76.69,  4.90)
179:     bond    (-11.511,  -7.156,  55.081)  (-11.510,  -7.156,  55.112)  ( 0.01,  0.00,  0.06)
179:     angle   ( 72.532,  34.099,  19.577)  ( 72.536,  34.101,  19.577)  ( 0.01,  0.01,  0.00)
179:     torsion ( -1.053,  22.384,   2.687)  ( -1.052,  22.384,   2.687)  ( 0.08,  0.00,  0.00)
179:     oop     (-25.920, -32.157,  -9.588)  (-15.777, -20.034,  -5.896)  (39.13, 37.70, 38.51)
179:     vdw     (-16.473,  -1.358,   8.248)  (-16.473,  -1.358,   8.248)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (-124.436, 149.496, -73.657)  (-124.401, 149.529, -73.624)  ( 0.03,  0.02,  0.05)
179:     bond    (-54.298,  27.135, -21.123)  (-54.277,  27.153, -21.103)  ( 0.04,  0.07,  0.09)
179:     angle   (-55.131,  89.961, -34.878)  (-55.117,  89.975, -34.865)  ( 0.03,  0.02,  0.04)
179:     torsion (-16.136,  28.776, -14.773)  (-16.135,  28.777, -14.772)  ( 0.01,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.128,   3.624,  -2.884)  (  1.128,   3.624,  -2.884)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (-116.990, -319.865, -110.155)  (-116.611, -313.758, -110.031)  ( 0.32,  1.91,  0.11)
179:     bond    (-13.024, -77.021, -88.008)  (-12.998, -77.001, -87.986)  ( 0.20,  0.03,  0.02)
179:     angle   (-117.161, -96.461, -91.911)  (-117.145, -96.444, -91.894)  ( 0.01,  0.02,  0.02)
179:     torsion ( 15.485, -125.268,  65.785)  ( 15.484, -125.267,  65.785)  ( 0.00,  0.00,  0.00)
179:     oop     ( -3.885, -13.509,   2.412)  ( -3.548,  -7.439,   2.497)  ( 8.67, 44.93,  3.51)
179:     vdw     (  1.595,  -7.606,   1.567)  (  1.595,  -7.606,   1.567)  ( 0.04,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (  3.054, -23.873,   4.399)  (  3.084, -23.844,   4.428)  ( 0.96,  0.12,  0.68)
179:     bond    (-38.663,  58.600,  73.249)  (-38.645,  58.618,  73.268)  ( 0.05,  0.03,  0.03)
179:     angle   ( 39.290, -91.035, -16.476)  ( 39.300, -91.026, -16.467)  ( 0.02,  0.01,  0.06)
179:     torsion (-13.830,   1.214,  -8.197)  (-13.828,   1.216,  -8.196)  ( 0.01,  0.09,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 16.257,   7.348, -44.177)  ( 16.257,   7.348, -44.176)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( 24.770, -40.809,  19.275)  ( 24.799, -40.780,  19.305)  ( 0.12,  0.07,  0.15)
179:     bond    (-65.790, -42.791, -42.397)  (-65.771, -42.772, -42.379)  ( 0.03,  0.04,  0.04)
179:     angle   ( 59.888,   6.868,  55.833)  ( 59.898,   6.877,  55.842)  ( 0.02,  0.13,  0.02)
179:     torsion ( 14.868, -26.408,   5.091)  ( 14.869, -26.407,   5.093)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 15.803,  21.522,   0.748)  ( 15.803,  21.523,   0.748)  ( 0.00,  0.00,  0.02)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (175.072, 307.178, 222.264)  (171.760, 306.584, 225.028)  ( 1.89,  0.19,  1.24)
179:     bond    (-18.691,  91.685,  -4.967)  (-18.677,  91.723,  -4.945)  ( 0.08,  0.04,  0.46)
179:     angle   (177.843, 227.696, 192.642)  (177.853, 227.714, 192.653)  ( 0.01,  0.01,  0.01)
179:     torsion ( 15.791,   8.817,  10.030)  ( 15.789,   8.817,  10.029)  ( 0.01,  0.00,  0.01)
179:     oop     ( 18.033,   3.483, -15.083)  ( 14.697,   2.832, -12.352)  (18.50, 18.67, 18.10)
179:     vdw     (-17.903, -24.503,  39.642)  (-17.902, -24.502,  39.643)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  1.947,  34.327,  35.635)  (  1.953,  34.333,  35.647)  ( 0.28,  0.02,  0.03)
179:     bond    ( -1.983,  13.556,  23.274)  ( -1.983,  13.560,  23.284)  ( 0.00,  0.03,  0.04)
179:     angle   ( 23.714,  18.764,  -8.910)  ( 23.718,  18.767,  -8.909)  ( 0.02,  0.01,  0.01)
179:     torsion (-41.237,  -3.500,  -1.473)  (-41.237,  -3.500,  -1.473)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 21.453,   5.506,  22.745)  ( 21.455,   5.507,  22.745)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (-95.827, -365.974, -154.353)  (-95.148, -365.799, -154.908)  ( 0.71,  0.05,  0.36)
179:     bond    ( -0.397, -74.774, -11.245)  ( -0.385, -74.751, -11.230)  ( 0.50,  0.03,  0.13)
179:     angle   (-97.730, -272.875, -154.775)  (-97.726, -272.862, -154.770)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.280,  -0.075,   1.110)  ( -1.279,  -0.075,   1.111)  ( 0.04,  0.00,  0.03)
179:     oop     ( -5.427,  -1.063,   4.722)  ( -4.765,  -0.925,   4.146)  (12.21, 12.95, 12.20)
179:     vdw     (  9.007, -17.186,   5.835)  (  9.007, -17.185,   5.835)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( 19.888, -34.478,  16.641)  ( 19.895, -34.471,  16.646)  ( 0.04,  0.02,  0.03)
179:     bond    ( 24.111, -23.901,  16.691)  ( 24.116, -23.896,  16.693)  ( 0.02,  0.02,  0.02)
179:     angle   (-12.220, -17.328,  -7.151)  (-12.218, -17.326,  -7.150)  ( 0.01,  0.01,  0.02)
179:     torsion ( -0.732,   0.033,   1.104)  ( -0.732,   0.033,   1.104)  ( 0.01,  0.00,  0.04)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.729,   6.718,   5.998)  (  8.729,   6.718,   5.998)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( 10.450,  21.570, -36.828)  ( 10.456,  21.576, -36.821)  ( 0.06,  0.03,  0.02)
179:     bond    ( 19.250,  20.288, -23.061)  ( 19.254,  20.292, -23.056)  ( 0.02,  0.02,  0.02)
179:     angle   (-17.588,  -6.430, -20.346)  (-17.587,  -6.429, -20.345)  ( 0.01,  0.02,  0.01)
179:     torsion (  0.083,  -0.103,  -0.020)  (  0.084,  -0.103,  -0.020)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.706,   7.816,   6.600)  (  8.706,   7.816,   6.600)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (-28.753,  26.112,  20.990)  (-28.749,  26.119,  20.998)  ( 0.02,  0.03,  0.04)
179:     bond    (-13.126,  21.965,  25.899)  (-13.124,  21.970,  25.906)  ( 0.01,  0.02,  0.03)
179:     angle   (-26.990,  -6.648,  -8.036)  (-26.987,  -6.647,  -8.035)  ( 0.01,  0.02,  0.01)
179:     torsion ( -0.164,   1.531,  -1.382)  ( -0.164,   1.531,  -1.382)  ( 0.00,  0.02,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.526,   9.265,   4.509)  ( 11.526,   9.265,   4.509)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( 20.537, -29.022,  23.780)  ( 20.545, -29.015,  23.784)  ( 0.04,  0.03,  0.02)
179:     bond    ( 24.834, -23.991,  13.351)  ( 24.840, -23.986,  13.352)  ( 0.02,  0.02,  0.01)
179:     angle   ( -6.292,   6.628,  23.610)  ( -6.291,   6.629,  23.612)  ( 0.02,  0.02,  0.01)
179:     torsion ( -6.259,  -5.825,   1.181)  ( -6.259,  -5.824,   1.181)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.254,  -5.834, -14.362)  (  8.254,  -5.834, -14.362)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (-43.374,  -6.951, -15.471)  (-43.366,  -6.946, -15.466)  ( 0.02,  0.08,  0.03)
179:     bond    (-26.465, -20.050, -18.073)  (-26.458, -20.046, -18.070)  ( 0.03,  0.02,  0.02)
179:     angle   (-22.465,  13.906,  17.462)  (-22.463,  13.907,  17.463)  ( 0.01,  0.01,  0.01)
179:     torsion ( -1.086,   6.316,  -5.417)  ( -1.086,   6.316,  -5.417)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.642,  -7.123,  -9.443)  (  6.642,  -7.123,  -9.443)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( 15.948,  34.448, -19.332)  ( 15.953,  34.454, -19.324)  ( 0.03,  0.02,  0.04)
179:     bond    ( 16.798,  19.680, -23.891)  ( 16.801,  19.684, -23.884)  ( 0.02,  0.02,  0.03)
179:     angle   (-10.822,  23.211,  11.518)  (-10.821,  23.214,  11.520)  ( 0.01,  0.01,  0.01)
179:     torsion (  5.216,  -0.584,   3.188)  (  5.217,  -0.584,   3.188)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.757,  -7.860, -10.148)  (  4.757,  -7.860, -10.147)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (163.604, 126.954, 197.382)  (163.610, 126.977, 197.389)  ( 0.00,  0.02,  0.00)
179:     bond    (-17.713,  74.435,  -9.634)  (-17.711,  74.458,  -9.633)  ( 0.01,  0.03,  0.01)
179:     angle   (116.974,  46.100, 141.246)  (116.977,  46.100, 141.250)  ( 0.00,  0.00,  0.00)
179:     torsion (  6.965,   0.874,  -6.054)  (  6.965,   0.874,  -6.054)  ( 0.01,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 57.378,   5.546,  71.824)  ( 57.379,   5.546,  71.826)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (-145.350,  50.635, -141.965)  (-143.708,  50.990, -143.276)  ( 1.13,  0.70,  0.92)
179:     bond    (  1.016,   4.265,   2.313)  (  1.017,   4.290,   2.320)  ( 0.14,  0.59,  0.32)
179:     angle   (-79.797,  65.627, -86.381)  (-79.793,  65.629, -86.377)  ( 0.00,  0.00,  0.00)
179:     torsion ( -5.607,  -1.263,   4.795)  ( -5.607,  -1.263,   4.794)  ( 0.01,  0.00,  0.01)
179:     oop     ( -7.179,  -1.487,   5.896)  ( -5.542,  -1.159,   4.573)  (22.81, 22.04, 22.44)
179:     vdw     (-53.784, -16.507, -68.588)  (-53.783, -16.507, -68.586)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 32 # gradients 
179: ok 33 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( 58.134, -10.875,  -0.081)  ( 58.181, -10.849,  -0.045)  ( 0.08,  0.25,  0.29)
179:     bond    ( 73.768, -13.768,   0.023)  ( 73.796, -13.759,   0.044)  ( 0.04,  0.07,  0.05)
179:     angle   ( 49.990,  -9.420,  -0.117)  ( 50.007,  -9.416,  -0.108)  ( 0.03,  0.05,  0.11)
179:     torsion (  0.011,   0.023,  -0.030)  (  0.011,   0.036,  -0.024)  ( 0.00,  0.03,  0.02)
179:     oop     (  0.000,   0.002,  -0.002)  (  0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (-65.635,  12.288,   0.045)  (-65.634,  12.288,   0.045)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( 17.936,  -8.798,  14.818)  ( 17.982,  -8.750,  14.845)  ( 0.26,  0.55,  0.18)
179:     bond    ( 92.410, -51.103, -50.286)  ( 92.439, -51.094, -50.266)  ( 0.03,  0.02,  0.04)
179:     angle   (-30.881,  18.740,  19.424)  (-30.868,  18.746,  19.435)  ( 0.04,  0.03,  0.06)
179:     torsion ( -1.948, -10.270,   6.861)  ( -1.947, -10.256,   6.867)  ( 0.03,  0.13,  0.09)
179:     oop     ( -0.022,  -0.118,   0.078)  ( -0.019,  -0.099,   0.066)  ( 0.01,  0.23,  0.10)
179:     vdw     (-41.623,  33.953,  38.741)  (-41.622,  33.954,  38.742)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( 15.352,  -1.265, -23.223)  ( 15.386,  -1.280, -23.156)  ( 0.22,  1.16,  0.29)
179:     bond    ( 13.918, -47.527, -68.607)  ( 13.946, -47.517, -68.587)  ( 0.20,  0.02,  0.03)
179:     angle   (-38.335,   4.459,  -1.411)  (-38.321,   4.465,  -1.400)  ( 0.04,  0.13,  0.81)
179:     torsion (  2.965,  11.890,  -8.461)  (  2.966,  11.904,  -8.455)  ( 0.02,  0.11,  0.07)
179:     oop     (  0.050,   0.265,  -0.177)  (  0.041,   0.221,  -0.147)  ( 0.04,  1.17,  0.53)
179:     vdw     ( 36.754,  29.647,  55.432)  ( 36.754,  29.648,  55.433)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (-40.712,   7.792,   0.007)  (-40.667,   7.823,   0.043)  ( 0.11,  0.40,  0.03)
179:     bond    (-109.736,  20.629,   0.231)  (-109.709,  20.639,   0.252)  ( 0.02,  0.05,  0.48)
179:     angle   ( 17.485,  -3.318,  -0.068)  ( 17.501,  -3.312,  -0.059)  ( 0.09,  0.20,  0.06)
179:     torsion ( -0.039,   0.145,  -0.122)  ( -0.038,   0.157,  -0.115)  ( 0.00,  0.17,  0.08)
179:     oop     ( -0.002,  -0.010,   0.005)  ( -0.001,  -0.008,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 51.579,  -9.654,  -0.040)  ( 51.581,  -9.653,  -0.039)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( 14.400,  -3.793,  22.280)  ( 14.450,  -3.723,  22.291)  ( 0.34,  1.86,  0.05)
179:     bond    ( 29.904,  39.139,  68.212)  ( 29.932,  39.148,  68.232)  ( 0.09,  0.02,  0.03)
179:     angle   (-37.521,   9.674,   1.433)  (-37.508,   9.680,   1.444)  ( 0.03,  0.07,  0.80)
179:     torsion ( -1.400, -11.441,   7.947)  ( -1.399, -11.427,   7.953)  ( 0.03,  0.12,  0.08)
179:     oop     ( -0.045,  -0.241,   0.160)  ( -0.037,  -0.200,   0.133)  ( 0.03,  0.98,  0.42)
179:     vdw     ( 23.462, -40.924, -55.472)  ( 23.462, -40.924, -55.471)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( 20.073,   0.769, -14.669)  ( 20.113,   0.780, -14.618)  ( 0.20,  0.86,  0.34)
179:     bond    (104.923,  13.970,  49.896)  (104.952,  13.980,  49.916)  ( 0.03,  0.07,  0.04)
179:     angle   (-35.503,  -6.310, -19.372)  (-35.489,  -6.305, -19.361)  ( 0.04,  0.08,  0.06)
179:     torsion (  1.762,   9.580,  -6.418)  (  1.763,   9.594,  -6.412)  ( 0.02,  0.14,  0.09)
179:     oop     (  0.020,   0.108,  -0.072)  (  0.017,   0.091,  -0.061)  ( 0.01,  0.18,  0.08)
179:     vdw     (-51.130, -16.580, -38.702)  (-51.129, -16.579, -38.701)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( 35.266,  -6.336,  -0.207)  ( 35.310,  -6.298,  -0.180)  ( 0.12,  0.59,  0.57)
179:     bond    ( 27.589,  -4.880,  -0.212)  ( 27.616,  -4.858,  -0.203)  ( 0.10,  0.44,  0.17)
179:     angle   ( 11.180,  -2.101,   0.012)  ( 11.195,  -2.091,   0.018)  ( 0.14,  0.46,  0.01)
179:     torsion ( -0.002,  -0.016,   0.003)  ( -0.002,  -0.011,   0.015)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.501,   0.661,  -0.010)  ( -3.500,   0.662,  -0.009)  ( 0.04,  0.02,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (-67.073,  -4.316,  14.211)  (-67.033,  -4.278,  14.239)  ( 0.06,  0.89,  0.20)
179:     bond    (-28.824, -42.695,  28.615)  (-28.796, -42.676,  28.622)  ( 0.10,  0.04,  0.03)
179:     angle   ( -8.910, -51.456,  31.603)  ( -8.899, -51.445,  31.607)  ( 0.12,  0.02,  0.01)
179:     torsion (  0.402,   2.129,   3.572)  (  0.402,   2.134,   3.587)  ( 0.01,  0.25,  0.41)
179:     oop     ( -0.001,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.008)  ( 0.00,  0.00,  0.00)
179:     vdw     (-29.740,  87.712, -49.570)  (-29.740,  87.714, -49.569)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (252.726, 124.577, -102.566)  (252.769, 124.618, -102.539)  ( 0.02,  0.03,  0.03)
179:     bond    ( -4.102,  -5.208,   3.529)  ( -4.072,  -5.183,   3.537)  ( 0.72,  0.48,  0.24)
179:     angle   (190.866,  62.770, -58.735)  (190.879,  62.781, -58.731)  ( 0.01,  0.02,  0.01)
179:     torsion ( -0.008,  -0.046,  -0.082)  ( -0.008,  -0.041,  -0.069)  ( 0.00,  0.02,  0.11)
179:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 65.970,  67.061, -47.275)  ( 65.971,  67.062, -47.275)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-228.789,  42.830,   0.196)  (-228.758,  42.865,   0.217)  ( 0.01,  0.08,  0.40)
179:     bond    (-23.988,   4.534,  -0.038)  (-23.972,   4.563,  -0.027)  ( 0.07,  0.64,  0.04)
179:     angle   (-243.722,  45.545,   0.214)  (-243.707,  45.548,   0.216)  ( 0.01,  0.01,  0.03)
179:     torsion (  0.006,   0.031,   0.048)  (  0.006,   0.034,   0.056)  ( 0.00,  0.01,  0.04)
179:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 38.914,  -7.281,  -0.030)  ( 38.915,  -7.281,  -0.030)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (190.044, -207.691, 102.032)  (190.089, -207.650, 102.060)  ( 0.02,  0.02,  0.03)
179:     bond    ( -2.495,   6.201,  -3.435)  ( -2.461,   6.222,  -3.426)  ( 1.33,  0.34,  0.25)
179:     angle   (155.225, -127.437,  58.396)  (155.236, -127.424,  58.400)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.012,  -0.067,  -0.118)  ( -0.012,  -0.062,  -0.105)  ( 0.00,  0.03,  0.15)
179:     oop     ( -0.001,  -0.004,  -0.006)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 37.327, -86.385,  47.195)  ( 37.327, -86.383,  47.195)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-60.187,  27.700, -13.820)  (-60.146,  27.735, -13.795)  ( 0.07,  0.13,  0.18)
179:     bond    (-10.799,  49.795, -28.441)  (-10.771,  49.815, -28.434)  ( 0.25,  0.04,  0.03)
179:     angle   ( 10.364,  51.026, -31.537)  ( 10.376,  51.036, -31.533)  ( 0.12,  0.02,  0.01)
179:     torsion ( -0.390,  -2.077,  -3.496)  ( -0.390,  -2.071,  -3.481)  ( 0.01,  0.25,  0.42)
179:     oop     (  0.002,   0.008,   0.013)  (  0.001,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (-59.364, -71.052,  49.642)  (-59.362, -71.051,  49.643)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.582,   7.403,  -4.825)  ( -0.574,   7.413,  -4.817)  ( 0.48,  0.13,  0.17)
179:     bond    (  6.712,   7.382,  -5.157)  (  6.717,   7.388,  -5.154)  ( 0.08,  0.09,  0.06)
179:     angle   ( -8.182,   5.707,  -2.478)  ( -8.180,   5.708,  -2.478)  ( 0.03,  0.02,  0.01)
179:     torsion ( -0.038,  -0.202,  -0.342)  ( -0.038,  -0.201,  -0.338)  ( 0.00,  0.03,  0.13)
179:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.927,  -5.481,   3.157)  (  0.927,  -5.481,   3.157)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (-56.958,  -6.366,  10.362)  (-56.952,  -6.354,  10.368)  ( 0.01,  0.18,  0.06)
179:     bond    ( -5.954,  11.782,  -6.350)  ( -5.952,  11.792,  -6.347)  ( 0.04,  0.08,  0.05)
179:     angle   (-53.718, -18.080,  16.780)  (-53.714, -18.080,  16.780)  ( 0.01,  0.00,  0.00)
179:     torsion (  0.017,   0.088,   0.147)  (  0.017,   0.089,   0.150)  ( 0.00,  0.01,  0.04)
179:     oop     (  0.000,   0.000,   0.001)  (  0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.697,  -0.156,  -0.215)  (  2.697,  -0.156,  -0.215)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( -9.625, -15.532, -18.122)  ( -9.591, -15.488, -18.101)  ( 0.34,  0.28,  0.12)
179:     bond    (-59.579, -42.061, -79.510)  (-59.561, -42.043, -79.491)  ( 0.03,  0.04,  0.02)
179:     angle   ( 48.208,  11.512,  31.711)  ( 48.218,  11.520,  31.720)  ( 0.02,  0.07,  0.03)
179:     torsion ( -3.549,  -1.214,   3.285)  ( -3.548,  -1.211,   3.286)  ( 0.03,  0.28,  0.05)
179:     oop     ( -0.015,  -0.082,   0.055)  ( -0.013,  -0.068,   0.045)  ( 0.00,  0.12,  0.05)
179:     vdw     (  5.311,  16.313,  26.338)  (  5.312,  16.313,  26.338)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (-58.385,  10.937,   0.090)  (-58.367,  10.941,   0.094)  ( 0.03,  0.04,  0.04)
179:     bond    (-50.199,   9.397,   0.031)  (-50.181,   9.397,   0.030)  ( 0.04,  0.00,  0.00)
179:     angle   (  0.005,   0.027,   0.040)  (  0.005,   0.028,   0.044)  ( 0.00,  0.00,  0.01)
179:     torsion ( -0.003,  -0.020,   0.011)  ( -0.003,  -0.018,   0.012)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.188,   1.535,   0.008)  ( -8.188,   1.535,   0.008)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (-49.770,  31.442,  33.871)  (-49.762,  31.448,  33.884)  ( 0.02,  0.02,  0.04)
179:     bond    (-19.987,  26.705,  34.335)  (-19.984,  26.711,  34.344)  ( 0.02,  0.02,  0.03)
179:     angle   (  8.426,   1.110,   4.041)  (  8.430,   1.110,   4.042)  ( 0.05,  0.01,  0.02)
179:     torsion ( -0.173,  -0.918,   0.610)  ( -0.173,  -0.915,   0.611)  ( 0.00,  0.20,  0.06)
179:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
179:     vdw     (-38.038,   4.533,  -5.108)  (-38.037,   4.533,  -5.107)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       ( -3.379,  17.606,  18.634)  ( -3.351,  17.623,  18.673)  ( 0.84,  0.10,  0.21)
179:     bond    (-40.343,  60.834,  79.794)  (-40.326,  60.853,  79.813)  ( 0.04,  0.03,  0.02)
179:     angle   ( 40.876, -28.301, -31.675)  ( 40.887, -28.294, -31.666)  ( 0.03,  0.03,  0.03)
179:     torsion ( -2.934,   2.121,  -3.092)  ( -2.933,   2.124,  -3.090)  ( 0.05,  0.15,  0.05)
179:     oop     (  0.014,   0.074,  -0.049)  (  0.011,   0.061,  -0.041)  ( 0.00,  0.09,  0.04)
179:     vdw     ( -0.992, -17.122, -26.344)  ( -0.991, -17.122, -26.343)  ( 0.08,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (-57.727, -11.202, -33.706)  (-57.717, -11.194, -33.695)  ( 0.02,  0.07,  0.03)
179:     bond    (-28.238, -17.597, -34.196)  (-28.231, -17.594, -34.186)  ( 0.02,  0.01,  0.03)
179:     angle   (  7.423,  -4.071,  -4.039)  (  7.426,  -4.070,  -4.038)  ( 0.04,  0.02,  0.02)
179:     torsion (  0.171,   0.926,  -0.620)  (  0.171,   0.928,  -0.619)  ( 0.00,  0.21,  0.06)
179:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.009,   0.006)  ( 0.00,  0.00,  0.00)
179:     vdw     (-37.082,   9.551,   5.142)  (-37.081,   9.551,   5.142)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( -3.086,  -6.733,   4.771)  ( -3.080,  -6.722,   4.778)  ( 0.18,  0.17,  0.14)
179:     bond    (  3.610,  -9.358,   5.158)  (  3.612,  -9.348,   5.162)  ( 0.04,  0.11,  0.06)
179:     angle   ( -9.573,  -2.338,   2.462)  ( -9.570,  -2.338,   2.462)  ( 0.04,  0.01,  0.01)
179:     torsion (  0.035,   0.184,   0.307)  (  0.035,   0.185,   0.311)  ( 0.00,  0.02,  0.12)
179:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.842,   4.777,  -3.160)  (  2.842,   4.777,  -3.160)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (-50.786,  26.653, -10.315)  (-50.777,  26.662, -10.309)  ( 0.02,  0.03,  0.06)
179:     bond    ( -9.730,  -8.776,   6.304)  ( -9.723,  -8.770,   6.307)  ( 0.07,  0.06,  0.05)
179:     angle   (-43.615,  36.322, -16.724)  (-43.613,  36.324, -16.723)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.012,  -0.064,  -0.108)  ( -0.012,  -0.063,  -0.105)  ( 0.00,  0.01,  0.03)
179:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.571,  -0.830,   0.211)  (  2.571,  -0.830,   0.211)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( 18.552, -36.973,  15.506)  ( 18.557, -36.964,  15.511)  ( 0.03,  0.02,  0.04)
179:     bond    ( 19.795, -29.611,  20.399)  ( 19.798, -29.604,  20.402)  ( 0.02,  0.02,  0.02)
179:     angle   (  2.872,  -9.105, -16.001)  (  2.874,  -9.104, -15.999)  ( 0.06,  0.02,  0.01)
179:     torsion ( -4.473,  -0.508,   3.603)  ( -4.472,  -0.508,   3.603)  ( 0.01,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.357,   2.251,   7.504)  (  0.357,   2.251,   7.504)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( 36.577,  15.060, -24.810)  ( 36.584,  15.067, -24.806)  ( 0.02,  0.05,  0.02)
179:     bond    ( 27.162,  26.884, -15.139)  ( 27.168,  26.890, -15.137)  ( 0.02,  0.02,  0.01)
179:     angle   (  2.427,  -9.455, -12.439)  (  2.428,  -9.453, -12.436)  ( 0.05,  0.01,  0.02)
179:     torsion (  6.153,  -6.780,  -0.999)  (  6.153,  -6.779,  -0.999)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.835,   4.410,   3.766)  (  0.835,   4.410,   3.766)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (-11.279,  28.142,  28.721)  (-11.271,  28.148,  28.729)  ( 0.06,  0.02,  0.03)
179:     bond    (-22.714,  19.690,  26.873)  (-22.710,  19.693,  26.879)  ( 0.02,  0.02,  0.02)
179:     angle   (-25.556,  -5.794, -17.347)  (-25.554,  -5.793, -17.346)  ( 0.01,  0.03,  0.01)
179:     torsion (  0.856,   6.699,  -4.185)  (  0.856,   6.700,  -4.185)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 36.135,   7.547,  23.381)  ( 36.136,   7.547,  23.381)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( 30.867,  27.740, -15.486)  ( 30.875,  27.745, -15.480)  ( 0.03,  0.02,  0.04)
179:     bond    ( 29.150,  20.548, -20.555)  ( 29.157,  20.551, -20.551)  ( 0.02,  0.02,  0.02)
179:     angle   (  5.951,   7.443,  15.888)  (  5.952,   7.445,  15.890)  ( 0.02,  0.03,  0.01)
179:     torsion ( -3.753,   1.953,  -3.371)  ( -3.753,   1.953,  -3.371)  ( 0.01,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.482,  -2.204,  -7.448)  ( -0.482,  -2.204,  -7.448)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (-20.778, -21.871, -28.929)  (-20.769, -21.868, -28.921)  ( 0.04,  0.02,  0.03)
179:     bond    (-28.443, -10.256, -26.879)  (-28.436, -10.256, -26.873)  ( 0.02,  0.01,  0.02)
179:     angle   (-21.731,  14.745,  17.364)  (-21.729,  14.747,  17.365)  ( 0.01,  0.01,  0.01)
179:     torsion ( -1.517,  -6.225,   3.980)  ( -1.517,  -6.224,   3.980)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 30.913, -20.135, -23.394)  ( 30.913, -20.135, -23.394)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( 28.514, -27.461,  24.727)  ( 28.519, -27.450,  24.731)  ( 0.01,  0.04,  0.02)
179:     bond    ( 15.752, -34.951,  15.142)  ( 15.753, -34.941,  15.143)  ( 0.01,  0.03,  0.01)
179:     angle   (  5.736,   7.985,  12.454)  (  5.737,   7.985,  12.456)  ( 0.03,  0.01,  0.02)
179:     torsion (  7.864,   3.952,   0.936)  (  7.865,   3.952,   0.936)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.837,  -4.447,  -3.804)  ( -0.837,  -4.446,  -3.804)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 34 # gradients 
179: ok 35 # energy 
179: 
179: V A L I D A T E   G R A D I E N T S
179: 
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-90.675, -167.099, -64.344)  (-87.455, -178.051, -63.759)  ( 3.55,  6.55,  0.91)
179:     bond    (-33.270, -17.000, -46.382)  (-33.242, -16.994, -46.354)  ( 0.08,  0.04,  0.06)
179:     angle   (-62.913, -173.302, -32.437)  (-62.903, -173.290, -32.425)  ( 0.02,  0.01,  0.03)
179:     torsion (  6.086, -15.462,   0.527)  (  6.087, -15.461,   0.527)  ( 0.01,  0.01,  0.01)
179:     oop     ( -8.054,  28.772,  -1.032)  ( -4.873,  17.801,  -0.487)  (39.50, 38.13, 52.84)
179:     vdw     (  7.475,   9.893,  14.979)  (  7.476,   9.893,  14.979)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-103.146,  41.250,  84.469)  (-103.105,  45.401,  84.027)  ( 0.04, 10.06,  0.52)
179:     bond    (-30.404, -27.951, -31.777)  (-30.376, -27.932, -31.758)  ( 0.09,  0.07,  0.06)
179:     angle   (-31.174,  77.031,  52.648)  (-31.161,  77.043,  52.663)  ( 0.04,  0.02,  0.03)
179:     torsion ( -4.894,   4.019,   4.600)  ( -4.893,   4.020,   4.601)  ( 0.02,  0.03,  0.02)
179:     oop     ( -0.033, -10.860,   1.008)  ( -0.033,  -6.741,   0.530)  ( 0.00, 37.93, 47.45)
179:     vdw     (-36.642,  -0.989,  57.990)  (-36.641,  -0.988,  57.991)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-62.268, -66.625,  80.948)  (-60.276, -70.837,  80.021)  ( 3.20,  6.32,  1.15)
179:     bond    ( 20.613,  26.346,  38.389)  ( 20.632,  26.366,  38.415)  ( 0.09,  0.08,  0.07)
179:     angle   (-17.393, -79.455,  -0.302)  (-17.378, -79.443,  -0.289)  ( 0.08,  0.02,  0.39)
179:     torsion ( -4.249,  -5.163,   1.764)  ( -4.248,  -5.162,   1.765)  ( 0.03,  0.03,  0.04)
179:     oop     ( -4.557,  10.144,   2.339)  ( -2.602,   5.897,   1.371)  (42.91, 41.86, 41.37)
179:     vdw     (-56.682, -18.496,  38.758)  (-56.680, -18.496,  38.759)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( -5.276, 111.452,  24.795)  ( -9.577, 124.457,  23.520)  (81.52, 11.67,  5.14)
179:     bond    (  5.718, -13.679,   1.610)  (  5.745, -13.670,   1.639)  ( 0.49,  0.07,  1.86)
179:     angle   ( -4.728, 149.502,  36.591)  ( -4.717, 149.515,  36.602)  ( 0.23,  0.01,  0.03)
179:     torsion ( -4.261,  13.887,  -0.390)  ( -4.260,  13.888,  -0.390)  ( 0.01,  0.01,  0.01)
179:     oop     ( 10.173, -30.870,   2.958)  (  5.833, -17.888,   1.640)  (42.67, 42.05, 44.54)
179:     vdw     (-12.177,  -7.388, -15.973)  (-12.177,  -7.388, -15.972)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (102.097, -25.297, -59.457)  (102.166, -29.987, -58.713)  ( 0.07, 18.54,  1.25)
179:     bond    ( 25.868,  27.546,  31.723)  ( 25.896,  27.565,  31.742)  ( 0.11,  0.07,  0.06)
179:     angle   ( 24.790, -68.458, -33.211)  ( 24.803, -68.446, -33.196)  ( 0.05,  0.02,  0.05)
179:     torsion (  3.373,  -3.168,  -4.940)  (  3.374,  -3.167,  -4.939)  ( 0.03,  0.04,  0.02)
179:     oop     ( -0.050,  11.256,  -1.573)  ( -0.023,   6.533,  -0.866)  ( 0.14, 41.96, 44.95)
179:     vdw     ( 48.115,   7.528, -51.455)  ( 48.116,   7.528, -51.453)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( 79.570,  81.165, -78.597)  ( 78.042,  84.901, -77.656)  ( 1.92,  4.60,  1.20)
179:     bond    (-19.273, -25.557, -37.733)  (-19.254, -25.537, -37.706)  ( 0.10,  0.08,  0.07)
179:     angle   ( 29.490,  90.204,  -7.490)  ( 29.505,  90.216,  -7.477)  ( 0.05,  0.01,  0.17)
179:     torsion (  3.940,   6.176,  -2.944)  (  3.941,   6.178,  -2.943)  ( 0.03,  0.02,  0.02)
179:     oop     (  3.919,  -9.828,  -2.445)  (  2.355,  -6.125,  -1.545)  (39.91, 37.67, 36.82)
179:     vdw     ( 61.493,  20.170, -27.985)  ( 61.495,  20.171, -27.985)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (-43.204, -52.831, -65.365)  (-40.815, -56.811, -63.752)  ( 5.53,  7.53,  2.47)
179:     bond    (  0.620,   1.263,   1.049)  (  0.640,   1.284,   1.072)  ( 1.25,  1.69,  2.16)
179:     angle   (-13.478, -60.077, -32.968)  (-13.467, -60.067, -32.957)  ( 0.08,  0.02,  0.03)
179:     torsion ( -0.041,   0.026,   0.006)  ( -0.041,   0.027,   0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -5.566,   9.470,  -3.724)  ( -3.208,   5.458,  -2.146)  (42.36, 42.37, 42.38)
179:     vdw     (-24.739,  -3.513, -29.728)  (-24.739,  -3.513, -29.727)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (590.421, -413.338, -453.174)  (588.830, -410.163, -454.033)  ( 0.27,  0.77,  0.19)
179:     bond    (281.609, -267.251, -266.649)  (281.625, -267.221, -266.622)  ( 0.01,  0.01,  0.01)
179:     angle   (301.536, -151.745, -201.468)  (301.544, -151.733, -201.459)  ( 0.00,  0.01,  0.00)
179:     torsion ( -3.751,   8.569,  -5.610)  ( -3.751,   8.569,  -5.608)  ( 0.00,  0.00,  0.03)
179:     oop     (  4.159,  -7.991,   2.085)  (  2.544,  -4.858,   1.187)  (38.83, 39.21, 43.09)
179:     vdw     (  6.867,   5.080,  18.468)  (  6.868,   5.080,  18.469)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-252.186,  46.511, 376.531)  (-252.182,  46.516, 376.551)  ( 0.00,  0.01,  0.01)
179:     bond    (-119.597, -128.814, 352.507)  (-119.596, -128.812, 352.526)  ( 0.00,  0.00,  0.01)
179:     angle   (-145.561, 173.633,  14.064)  (-145.558, 173.636,  14.065)  ( 0.00,  0.00,  0.01)
179:     torsion (  3.858,  -1.278,   0.842)  (  3.858,  -1.278,   0.842)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  9.114,   2.971,   9.118)  (  9.114,   2.971,   9.118)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-174.814, 414.517, 106.449)  (-174.811, 414.541, 106.453)  ( 0.00,  0.01,  0.00)
179:     bond    (-38.911, 392.669, -61.048)  (-38.912, 392.692, -61.049)  ( 0.00,  0.01,  0.00)
179:     angle   (-127.613,  12.252, 160.145)  (-127.610,  12.252, 160.149)  ( 0.00,  0.00,  0.00)
179:     torsion ( -2.732,  -0.720,  -2.890)  ( -2.732,  -0.720,  -2.890)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.557,  10.317,  10.242)  ( -5.557,  10.317,  10.242)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (-20.966, -20.102,   4.975)  (-20.928, -20.032,   4.860)  ( 0.18,  0.35,  2.30)
179:     bond    (-41.860,  12.275,   5.586)  (-41.836,  12.302,   5.588)  ( 0.06,  0.22,  0.04)
179:     angle   ( 69.839, -39.509, -31.067)  ( 69.854, -39.497, -31.064)  ( 0.02,  0.03,  0.01)
179:     torsion ( -0.189,  -6.630,  19.989)  ( -0.189,  -6.629,  20.004)  ( 0.00,  0.01,  0.08)
179:     oop     (  0.011,  -0.185,   0.813)  (  0.009,  -0.153,   0.679)  ( 0.00,  0.58, 10.96)
179:     vdw     (-48.767,  13.946,   9.654)  (-48.766,  13.946,   9.654)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-48.581,  -9.470, -19.172)  (-48.539,  -9.460, -19.017)  ( 0.09,  0.10,  0.81)
179:     bond    ( -0.522,  -5.772,  -1.974)  ( -0.494,  -5.746,  -1.972)  ( 1.41,  0.45,  0.11)
179:     angle   ( -0.732,  44.691,  10.937)  ( -0.720,  44.702,  10.937)  ( 0.94,  0.03,  0.01)
179:     torsion ( -0.099,   3.487, -16.209)  ( -0.099,   3.488, -16.189)  ( 0.00,  0.03,  0.12)
179:     oop     ( -0.009,   0.183,  -0.813)  ( -0.008,   0.154,  -0.681)  ( 0.00,  0.55, 10.78)
179:     vdw     (-47.219, -52.059, -11.113)  (-47.218, -52.058, -11.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (  9.293, -180.393, -83.284)  (  9.342, -180.430, -82.952)  ( 0.53,  0.02,  0.40)
179:     bond    ( 24.471,  24.991,   4.696)  ( 24.500,  25.014,   4.698)  ( 0.12,  0.09,  0.05)
179:     angle   ( 25.642, -148.454, -38.576)  ( 25.652, -148.439, -38.575)  ( 0.04,  0.01,  0.00)
179:     torsion ( -0.403,   5.757, -21.735)  ( -0.403,   5.759, -21.714)  ( 0.00,  0.02,  0.09)
179:     oop     ( -0.046,   0.462,  -1.801)  ( -0.038,   0.384,  -1.493)  ( 0.04,  3.62, 17.10)
179:     vdw     (-40.370, -63.151, -25.868)  (-40.369, -63.148, -25.869)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (-42.054, 117.304,  95.769)  (-42.015, 117.511,  95.181)  ( 0.09,  0.18,  0.61)
179:     bond    ( 37.481,  29.457,   7.570)  ( 37.518,  29.484,   7.573)  ( 0.10,  0.09,  0.04)
179:     angle   (-87.919, 119.484,  35.823)  (-87.903, 119.502,  35.823)  ( 0.02,  0.02,  0.00)
179:     torsion (  0.037, -18.981,  76.061)  (  0.037, -18.979,  76.080)  ( 0.00,  0.01,  0.03)
179:     oop     (  0.098,  -0.925,   3.573)  (  0.082,  -0.766,   2.961)  ( 0.16, 14.72, 17.12)
179:     vdw     (  8.249, -11.731, -27.257)  (  8.251, -11.730, -27.257)  ( 0.02,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( -1.243,  58.634, -46.276)  ( -1.214,  58.603, -45.898)  ( 2.34,  0.05,  0.82)
179:     bond    (-12.815, -46.771, -13.270)  (-12.788, -46.744, -13.267)  ( 0.21,  0.06,  0.02)
179:     angle   (-11.262,  40.158,  14.208)  (-11.244,  40.172,  14.209)  ( 0.15,  0.04,  0.01)
179:     torsion ( -0.183,  11.511, -45.098)  ( -0.182,  11.513, -45.079)  ( 0.01,  0.02,  0.04)
179:     oop     (  0.104,   0.467,  -2.195)  (  0.086,   0.393,  -1.840)  ( 0.19,  3.49, 16.15)
179:     vdw     ( 22.912,  53.269,   0.079)  ( 22.914,  53.270,   0.079)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (-70.569,  83.859,  43.385)  (-70.528,  83.986,  43.087)  ( 0.06,  0.15,  0.69)
179:     bond    ( 43.014,  -9.899,   0.673)  ( 43.044,  -9.875,   0.676)  ( 0.07,  0.23,  0.16)
179:     angle   (-68.869,  37.289,   8.467)  (-68.859,  37.304,   8.468)  ( 0.01,  0.04,  0.01)
179:     torsion (  0.769,  -2.246,  11.569)  (  0.769,  -2.244,  11.589)  ( 0.00,  0.06,  0.17)
179:     oop     ( -0.003,  -0.515,   1.925)  ( -0.002,  -0.430,   1.604)  ( 0.00,  4.40, 16.70)
179:     vdw     (-45.480,  59.229,  20.751)  (-45.480,  59.232,  20.751)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (-192.991, -395.724, -129.219)  (-192.952, -395.744, -128.985)  ( 0.02,  0.00,  0.18)
179:     bond    (-83.920, -169.485,  -3.556)  (-83.894, -169.461,  -3.554)  ( 0.03,  0.01,  0.05)
179:     angle   (-42.478, -50.466,  12.902)  (-42.472, -50.457,  12.906)  ( 0.01,  0.02,  0.03)
179:     torsion ( -6.887,  -7.603,  23.877)  ( -6.886,  -7.602,  23.883)  ( 0.01,  0.00,  0.02)
179:     oop     ( -0.030,   0.296,  -1.145)  ( -0.024,   0.239,  -0.925)  ( 0.02,  1.68, 19.26)
179:     vdw     (-59.677, -168.466, -161.298)  (-59.676, -168.463, -161.295)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (112.561, 217.395, -31.782)  (112.595, 217.437, -31.748)  ( 0.03,  0.02,  0.11)
179:     bond    (-49.686, 185.503,  41.124)  (-49.667, 185.531,  41.145)  ( 0.04,  0.02,  0.05)
179:     angle   ( 82.350,  40.943, -55.198)  ( 82.361,  40.956, -55.186)  ( 0.01,  0.03,  0.02)
179:     torsion ( 14.356,   1.064, -19.115)  ( 14.358,   1.065, -19.114)  ( 0.01,  0.09,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 65.542, -10.115,   1.408)  ( 65.543, -10.115,   1.408)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( -7.556, -40.622,  47.751)  ( -7.528, -40.592,  47.780)  ( 0.37,  0.07,  0.06)
179:     bond    (  8.410,  11.000, -20.862)  (  8.429,  11.018, -20.842)  ( 0.22,  0.17,  0.10)
179:     angle   (-22.599, -32.864,  60.998)  (-22.591, -32.855,  61.007)  ( 0.04,  0.03,  0.01)
179:     torsion ( -9.611,  -2.930,  -2.776)  ( -9.609,  -2.929,  -2.775)  ( 0.01,  0.04,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 16.243, -15.827,  10.390)  ( 16.243, -15.827,  10.390)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (  1.672, -290.290,   5.310)  (  1.753, -290.231,   5.260)  ( 4.83,  0.02,  0.95)
179:     bond    ( 48.860, -351.645,  36.679)  ( 48.891, -351.609,  36.683)  ( 0.06,  0.01,  0.01)
179:     angle   ( 22.349, 106.451, -23.941)  ( 22.368, 106.474, -23.939)  ( 0.09,  0.02,  0.01)
179:     torsion (-11.068,   6.550,   9.919)  (-11.065,   6.550,   9.936)  ( 0.03,  0.01,  0.17)
179:     oop     ( -0.208,   0.011,   0.576)  ( -0.182,   0.010,   0.502)  ( 0.55,  0.00,  4.26)
179:     vdw     (-58.262, -51.657, -17.922)  (-58.260, -51.656, -17.922)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (119.256, 619.890,  24.768)  (119.296, 619.932,  24.770)  ( 0.03,  0.01,  0.01)
179:     bond    (128.450, 492.247,  22.211)  (128.464, 492.286,  22.213)  ( 0.01,  0.01,  0.01)
179:     angle   (-17.445,  89.502, -16.170)  (-17.428,  89.506, -16.167)  ( 0.09,  0.00,  0.01)
179:     torsion (-10.722,   1.793,  30.081)  (-10.721,   1.793,  30.093)  ( 0.02,  0.00,  0.04)
179:     oop     (  0.038,   0.000,  -0.106)  (  0.044,  -0.002,  -0.120)  ( 0.02,  0.00,  0.14)
179:     vdw     ( 18.935,  36.347, -11.248)  ( 18.937,  36.348, -11.248)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (-31.149, -65.327,   7.485)  (-31.139, -65.263,   7.617)  ( 0.03,  0.10,  1.77)
179:     bond    (-184.821, -85.790, -66.524)  (-184.791, -85.756, -66.519)  ( 0.02,  0.04,  0.01)
179:     angle   (174.270, -73.330,  73.268)  (174.287, -73.310,  73.269)  ( 0.01,  0.03,  0.00)
179:     torsion ( -3.641,   0.520,   8.689)  ( -3.637,   0.520,   8.711)  ( 0.09,  0.01,  0.25)
179:     oop     (  0.165,  -0.030,  -0.436)  (  0.125,  -0.023,  -0.332)  ( 0.66,  0.02,  4.54)
179:     vdw     (-17.123,  93.304,  -7.512)  (-17.123,  93.307,  -7.512)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (-23.983, -22.539, -15.355)  (-23.974, -22.473, -15.214)  ( 0.04,  0.29,  0.92)
179:     bond    (107.750, -252.321,  56.463)  (107.775, -252.281,  56.468)  ( 0.02,  0.02,  0.01)
179:     angle   (-188.480, 168.110, -74.826)  (-188.460, 168.128, -74.824)  ( 0.01,  0.01,  0.00)
179:     torsion (  4.764,  -0.733, -12.644)  (  4.767,  -0.733, -12.617)  ( 0.08,  0.01,  0.21)
179:     oop     (  0.167,  -0.024,  -0.427)  (  0.126,  -0.018,  -0.319)  ( 0.69,  0.02,  4.59)
179:     vdw     ( 51.816,  62.429,  16.078)  ( 51.817,  62.430,  16.078)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (-340.956, 471.644, -155.708)  (-340.799, 471.689, -155.922)  ( 0.05,  0.01,  0.14)
179:     bond    (-87.772, 315.177, -53.391)  (-87.729, 315.209, -53.383)  ( 0.05,  0.01,  0.01)
179:     angle   (-266.595, 179.453, -119.794)  (-266.580, 179.480, -119.794)  ( 0.01,  0.02,  0.00)
179:     torsion ( -3.047,   0.367,   8.319)  ( -3.044,   0.367,   8.338)  ( 0.10,  0.00,  0.23)
179:     oop     ( -0.533,   0.079,   1.372)  ( -0.437,   0.065,   1.131)  ( 5.14,  0.12, 17.58)
179:     vdw     ( 16.992, -23.433,   7.787)  ( 16.992, -23.432,   7.787)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (125.716, -305.181,  59.352)  (125.829, -305.134,  59.218)  ( 0.09,  0.02,  0.22)
179:     bond    (-30.214, 190.400, -29.022)  (-30.176, 190.432, -29.016)  ( 0.12,  0.02,  0.02)
179:     angle   (111.351, -427.295,  73.315)  (111.360, -427.271,  73.317)  ( 0.01,  0.01,  0.00)
179:     torsion (  6.776,  -0.115, -18.396)  (  6.779,  -0.115, -18.376)  ( 0.05,  0.00,  0.11)
179:     oop     ( -0.289,   0.080,   0.729)  ( -0.226,   0.067,   0.569)  ( 1.83,  0.11, 11.64)
179:     vdw     ( 38.092, -68.250,  32.725)  ( 38.092, -68.247,  32.725)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (-217.964, -53.713, -70.476)  (-217.943, -53.662, -70.386)  ( 0.01,  0.09,  0.13)
179:     bond    (-129.118, -144.702, -38.830)  (-129.088, -144.673, -38.826)  ( 0.02,  0.02,  0.01)
179:     angle   (-92.939,  94.229, -67.021)  (-92.923,  94.245, -67.016)  ( 0.02,  0.02,  0.01)
179:     torsion ( -0.862,  -0.355,   1.681)  ( -0.860,  -0.355,   1.692)  ( 0.17,  0.01,  0.62)
179:     oop     (  0.159,  -0.034,  -0.406)  (  0.132,  -0.028,  -0.336)  ( 0.43,  0.02,  2.81)
179:     vdw     (  4.796,  -2.851,  34.099)  (  4.796,  -2.851,  34.100)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       (309.239, -201.556, 101.651)  (309.302, -201.516, 101.608)  ( 0.02,  0.02,  0.04)
179:     bond    (248.311, -157.888, 106.012)  (248.345, -157.860, 106.018)  ( 0.01,  0.02,  0.01)
179:     angle   ( 48.554, -35.777,  18.789)  ( 48.560, -35.759,  18.792)  ( 0.01,  0.05,  0.01)
179:     torsion (  9.873,  -2.247, -25.452)  (  9.874,  -2.247, -25.445)  ( 0.01,  0.00,  0.03)
179:     oop     ( -0.142,   0.030,   0.372)  ( -0.120,   0.025,   0.314)  ( 0.31,  0.01,  2.16)
179:     vdw     (  2.642,  -5.673,   1.931)  (  2.643,  -5.673,   1.931)  ( 0.02,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       ( 87.379, -176.189,  45.678)  ( 87.415, -176.122,  45.774)  ( 0.04,  0.04,  0.21)
179:     bond    (-122.952, 125.551, -56.601)  (-122.912, 125.596, -56.593)  ( 0.03,  0.04,  0.01)
179:     angle   (212.046, -303.014, 100.749)  (212.065, -302.998, 100.753)  ( 0.01,  0.01,  0.00)
179:     torsion ( -1.009,  -0.804,   2.730)  ( -1.007,  -0.804,   2.747)  ( 0.24,  0.01,  0.65)
179:     oop     (  0.144,  -0.028,  -0.384)  (  0.119,  -0.023,  -0.317)  ( 0.35,  0.01,  2.55)
179:     vdw     ( -0.850,   2.107,  -0.816)  ( -0.850,   2.107,  -0.816)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( 28.638,  80.760,   2.152)  ( 28.598,  80.784,   2.334)  ( 0.14,  0.03,  8.48)
179:     bond    (-13.342,   5.622,  -5.580)  (-13.316,   5.627,  -5.576)  ( 0.19,  0.08,  0.08)
179:     angle   ( 29.775,  77.751,   7.356)  ( 29.777,  77.759,   7.356)  ( 0.00,  0.01,  0.01)
179:     torsion (  1.225,  -0.163,  -3.094)  (  1.225,  -0.163,  -3.091)  ( 0.05,  0.00,  0.12)
179:     oop     (  0.284,  -0.046,  -0.725)  (  0.216,  -0.035,  -0.551)  ( 1.94,  0.05, 12.68)
179:     vdw     ( 10.696,  -2.404,   4.196)  ( 10.696,  -2.404,   4.196)  ( 0.00,  0.02,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (-51.769, 170.421, -28.422)  (-51.718, 170.451, -28.427)  ( 0.10,  0.02,  0.02)
179:     bond    (-57.140,  -0.068, -21.182)  (-57.114,  -0.050, -21.162)  ( 0.05,  0.13,  0.09)
179:     angle   ( -4.494, 146.661, -12.973)  ( -4.484, 146.674, -12.965)  ( 0.24,  0.01,  0.07)
179:     torsion ( -1.064,   4.904,   2.867)  ( -1.063,   4.906,   2.871)  ( 0.05,  0.03,  0.13)
179:     oop     ( -0.060,   0.012,   0.161)  ( -0.046,   0.009,   0.123)  ( 0.08,  0.00,  0.60)
179:     vdw     ( 10.989,  18.912,   2.706)  ( 10.989,  18.913,   2.706)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (-39.625, -46.446,   4.953)  (-39.572, -46.418,   4.932)  ( 0.13,  0.06,  0.43)
179:     bond    ( 24.264,   1.025, -37.484)  ( 24.284,   1.044, -37.464)  ( 0.08,  1.86,  0.05)
179:     angle   (-64.819, -62.366,  28.293)  (-64.808, -62.354,  28.302)  ( 0.02,  0.02,  0.03)
179:     torsion (  1.880,   5.952,   6.218)  (  1.882,   5.952,   6.219)  ( 0.08,  0.01,  0.01)
179:     oop     ( -0.086,   0.018,   0.218)  ( -0.066,   0.014,   0.166)  ( 0.18,  0.01,  1.13)
179:     vdw     ( -0.864,   8.926,   7.708)  ( -0.864,   8.926,   7.708)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       ( 17.161,  37.789, -11.581)  ( 17.192,  37.821, -11.550)  ( 0.18,  0.08,  0.27)
179:     bond    ( -6.574, -42.124,  16.847)  ( -6.556, -42.105,  16.867)  ( 0.28,  0.05,  0.12)
179:     angle   ( 18.684,  57.126, -24.812)  ( 18.694,  57.137, -24.802)  ( 0.05,  0.02,  0.04)
179:     torsion (  8.251,  21.142,   0.462)  (  8.253,  21.143,   0.462)  ( 0.03,  0.01,  0.04)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.200,   1.645,  -4.077)  ( -3.200,   1.645,  -4.077)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       ( -4.601, -28.457, -17.819)  ( -4.572, -28.428, -17.789)  ( 0.61,  0.10,  0.16)
179:     bond    ( -2.307,  38.602,  27.693)  ( -2.289,  38.622,  27.712)  ( 0.80,  0.05,  0.07)
179:     angle   ( -1.034, -67.182, -17.928)  ( -1.026, -67.173, -17.919)  ( 0.78,  0.01,  0.05)
179:     torsion (  2.723,  -0.138,   0.283)  (  2.724,  -0.137,   0.284)  ( 0.06,  0.01,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.981,   0.260, -27.867)  ( -3.981,   0.260, -27.866)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  9.373,  -5.263,  -5.246)  (  9.379,  -5.250,  -5.243)  ( 0.06,  0.24,  0.06)
179:     bond    (  6.793, -18.562,   0.914)  (  6.794, -18.550,   0.914)  ( 0.03,  0.07,  0.01)
179:     angle   ( 12.826,   4.169, -10.756)  ( 12.830,   4.169, -10.754)  ( 0.03,  0.01,  0.02)
179:     torsion (  6.776,   2.158,  -6.569)  (  6.777,   2.159,  -6.568)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-17.022,   6.971,  11.165)  (-17.022,   6.971,  11.165)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  8.439,   3.595, -13.990)  (  8.444,   3.600, -13.978)  ( 0.06,  0.12,  0.09)
179:     bond    (  4.852,   7.538, -18.762)  (  4.853,   7.540, -18.751)  ( 0.02,  0.03,  0.06)
179:     angle   ( 17.637,  -2.460,   3.577)  ( 17.641,  -2.458,   3.577)  ( 0.02,  0.08,  0.02)
179:     torsion ( -2.872,   1.678,  -0.068)  ( -2.872,   1.678,  -0.068)  ( 0.01,  0.02,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-11.178,  -3.161,   1.263)  (-11.178,  -3.161,   1.263)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       ( 13.034,   2.868,   7.553)  ( 13.047,   2.872,   7.558)  ( 0.11,  0.11,  0.06)
179:     bond    ( 19.930,  -1.163,  -2.917)  ( 19.944,  -1.163,  -2.916)  ( 0.07,  0.01,  0.01)
179:     angle   ( -0.525,   7.456,  -6.566)  ( -0.525,   7.459,  -6.563)  ( 0.00,  0.03,  0.06)
179:     torsion (  0.113,  -3.557,   2.187)  (  0.113,  -3.556,   2.187)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.484,   0.132,  14.849)  ( -6.484,   0.132,  14.849)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (  7.808,   6.534,   2.461)  (  7.812,   6.547,   2.466)  ( 0.05,  0.20,  0.20)
179:     bond    ( -5.121,  18.462,  -2.248)  ( -5.120,  18.475,  -2.248)  ( 0.02,  0.07,  0.01)
179:     angle   ( 12.554,   2.071, -11.579)  ( 12.556,   2.071, -11.575)  ( 0.02,  0.01,  0.03)
179:     torsion (  8.704,   1.762,  -5.344)  (  8.705,   1.762,  -5.344)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.328, -15.761,  21.633)  ( -8.328, -15.761,  21.633)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (  4.689,   1.345,  14.511)  (  4.695,   1.349,  14.523)  ( 0.11,  0.32,  0.08)
179:     bond    ( -4.521,  -7.164,  18.317)  ( -4.520,  -7.162,  18.328)  ( 0.02,  0.03,  0.06)
179:     angle   ( -8.158,   5.530,   0.150)  ( -8.155,   5.532,   0.151)  ( 0.04,  0.04,  0.01)
179:     torsion (  2.436,  -2.304,  -0.299)  (  2.436,  -2.304,  -0.299)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.933,   5.283,  -3.657)  ( 14.933,   5.283,  -3.657)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       ( -0.359,   4.608,   8.965)  ( -0.353,   4.620,   8.968)  ( 0.21,  0.28,  0.03)
179:     bond    ( -6.686,  18.075,  -0.977)  ( -6.685,  18.088,  -0.977)  ( 0.03,  0.07,  0.01)
179:     angle   (-13.717,  -4.486,  10.782)  (-13.713,  -4.486,  10.784)  ( 0.02,  0.01,  0.02)
179:     torsion ( -5.879,  -1.787,   7.143)  ( -5.879,  -1.787,   7.143)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 25.924,  -7.195,  -7.982)  ( 25.924,  -7.195,  -7.982)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 40       (-15.640,  -4.131,   5.459)  (-15.626,  -4.128,   5.464)  ( 0.09,  0.07,  0.09)
179:     bond    (-20.987,   1.060,   3.290)  (-20.973,   1.060,   3.290)  ( 0.06,  0.01,  0.01)
179:     angle   (  1.888,  -7.800,  14.544)  (  1.888,  -7.797,  14.548)  ( 0.01,  0.03,  0.03)
179:     torsion ( -0.238,   1.144,  -1.889)  ( -0.238,   1.144,  -1.888)  ( 0.00,  0.04,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.698,   1.465, -10.486)  (  3.698,   1.466, -10.486)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       ( -2.868,  -8.359,   8.203)  ( -2.864,  -8.346,   8.208)  ( 0.14,  0.16,  0.06)
179:     bond    (  5.462, -18.914,   2.362)  (  5.463, -18.901,   2.362)  ( 0.02,  0.07,  0.01)
179:     angle   (-11.884,  -1.457,  15.815)  (-11.882,  -1.457,  15.819)  ( 0.02,  0.01,  0.02)
179:     torsion ( -6.481,  -1.186,   5.499)  ( -6.480,  -1.186,   5.499)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.035,  13.198, -15.473)  ( 10.035,  13.198, -15.472)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       (  2.797,   3.776,   4.300)  (  2.801,   3.789,   4.303)  ( 0.13,  0.35,  0.08)
179:     bond    ( -3.557,  12.409,  -0.546)  ( -3.556,  12.422,  -0.546)  ( 0.03,  0.10,  0.00)
179:     angle   ( 17.083,   5.825,  21.266)  ( 17.086,   5.825,  21.269)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.038,  -0.009,   0.033)  ( -0.038,  -0.009,   0.033)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.691, -14.448, -16.454)  (-10.691, -14.448, -16.453)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       (  8.026,   3.053,   2.790)  (  8.040,   3.056,   2.793)  ( 0.17,  0.09,  0.13)
179:     bond    ( 12.762,  -0.692,  -1.574)  ( 12.775,  -0.692,  -1.574)  ( 0.11,  0.01,  0.02)
179:     angle   (  2.727,   6.099,  19.454)  (  2.727,   6.101,  19.457)  ( 0.00,  0.04,  0.01)
179:     torsion (  0.016,  -0.402,   0.307)  (  0.016,  -0.402,   0.307)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -7.478,  -1.951, -15.397)  ( -7.478,  -1.951, -15.397)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       (  1.200,   1.204,   8.941)  (  1.203,   1.208,   8.953)  ( 0.28,  0.36,  0.14)
179:     bond    ( -2.604,  -4.517,  11.804)  ( -2.604,  -4.515,  11.816)  ( 0.02,  0.04,  0.10)
179:     angle   ( 16.627,   9.458,   7.279)  ( 16.629,   9.461,   7.279)  ( 0.01,  0.03,  0.01)
179:     torsion (  0.483,  -0.369,  -0.034)  (  0.483,  -0.369,  -0.034)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-13.306,  -3.369, -10.108)  (-13.306,  -3.369, -10.108)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       ( 38.713,  44.328,   7.887)  ( 38.722,  44.347,   7.854)  ( 0.02,  0.04,  0.42)
179:     bond    ( 43.946,  43.820,   9.845)  ( 43.953,  43.828,   9.845)  ( 0.02,  0.02,  0.01)
179:     angle   ( -4.853,   4.607,   1.140)  ( -4.851,   4.609,   1.140)  ( 0.04,  0.04,  0.01)
179:     torsion ( -0.054,   0.616,  -2.505)  ( -0.054,   0.616,  -2.500)  ( 0.00,  0.02,  0.19)
179:     oop     (  0.003,  -0.054,   0.231)  (  0.002,  -0.045,   0.193)  ( 0.00,  0.05,  0.89)
179:     vdw     ( -0.328,  -4.660,  -0.824)  ( -0.328,  -4.660,  -0.824)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 46       (-18.395,  57.830,  23.586)  (-18.389,  57.857,  23.541)  ( 0.03,  0.05,  0.19)
179:     bond    (-10.669,  53.306,  13.917)  (-10.668,  53.320,  13.918)  ( 0.01,  0.03,  0.01)
179:     angle   ( 40.079,   7.653,   1.404)  ( 40.082,   7.653,   1.404)  ( 0.01,  0.00,  0.00)
179:     torsion (  0.080,  -2.491,   9.598)  (  0.080,  -2.490,   9.602)  ( 0.00,  0.01,  0.05)
179:     oop     (  0.007,  -0.087,   0.339)  (  0.006,  -0.074,   0.289)  ( 0.00,  0.11,  1.71)
179:     vdw     (-47.891,  -0.551,  -1.672)  (-47.889,  -0.551,  -1.672)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 47       ( 12.896, -47.842, -29.476)  ( 12.902, -47.867, -29.330)  ( 0.05,  0.05,  0.50)
179:     bond    ( 16.083, -55.844, -15.523)  ( 16.084, -55.831, -15.522)  ( 0.01,  0.02,  0.01)
179:     angle   ( 16.899,   4.635,   0.843)  ( 16.903,   4.635,   0.843)  ( 0.02,  0.01,  0.00)
179:     torsion ( -0.281,   4.759, -17.416)  ( -0.281,   4.760, -17.411)  ( 0.00,  0.01,  0.03)
179:     oop     ( -0.003,   0.252,  -0.909)  ( -0.003,   0.213,  -0.768)  ( 0.00,  0.98, 12.78)
179:     vdw     (-19.802,  -1.643,   3.528)  (-19.801,  -1.643,   3.528)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       (-13.369, -21.958,  16.625)  (-13.356, -21.953,  16.629)  ( 0.10,  0.02,  0.02)
179:     bond    (-18.943,  -0.495,   4.460)  (-18.930,  -0.495,   4.461)  ( 0.07,  0.00,  0.02)
179:     angle   (  2.111, -25.347,   6.142)  (  2.111, -25.343,   6.145)  ( 0.01,  0.02,  0.04)
179:     torsion (  2.357,   0.951,  10.106)  (  2.357,   0.952,  10.106)  ( 0.00,  0.04,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.107,   2.933,  -4.084)  (  1.107,   2.933,  -4.084)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       (  5.762, -15.925,   9.043)  (  5.768, -15.919,   9.052)  ( 0.11,  0.04,  0.10)
179:     bond    (  1.912,   1.900,   3.242)  (  1.915,   1.902,   3.250)  ( 0.15,  0.15,  0.25)
179:     angle   (-32.893,  -8.313,  24.245)  (-32.891,  -8.310,  24.246)  ( 0.01,  0.04,  0.00)
179:     torsion (  0.587,   3.391,  -2.331)  (  0.588,   3.391,  -2.331)  ( 0.03,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 36.156, -12.903, -16.113)  ( 36.157, -12.903, -16.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       ( -1.794,  13.571, -14.957)  ( -1.790,  13.584, -14.954)  ( 0.22,  0.09,  0.02)
179:     bond    ( -5.047,  12.898,   0.979)  ( -5.045,  12.910,   0.979)  ( 0.04,  0.09,  0.01)
179:     angle   (  6.345,   3.861, -18.227)  (  6.346,   3.862, -18.224)  ( 0.03,  0.01,  0.01)
179:     torsion ( -2.173,  -0.796,  -0.702)  ( -2.172,  -0.796,  -0.702)  ( 0.02,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.919,  -2.393,   2.993)  ( -0.919,  -2.392,   2.993)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       (  5.006,  11.117, -16.029)  (  5.019,  11.120, -16.025)  ( 0.26,  0.02,  0.02)
179:     bond    (  7.392,   0.592,  -2.237)  (  7.405,   0.592,  -2.236)  ( 0.17,  0.01,  0.05)
179:     angle   (-10.078,  18.633, -28.438)  (-10.078,  18.635, -28.435)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.198,   2.152,   1.225)  (  0.198,   2.152,   1.225)  ( 0.00,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.494, -10.259,  13.421)  (  7.494, -10.259,  13.422)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       (  0.874,   5.631, -19.225)  (  0.880,   5.637, -19.217)  ( 0.47,  0.09,  0.05)
179:     bond    ( -6.958,  -6.497, -10.205)  ( -6.955,  -6.494, -10.198)  ( 0.05,  0.05,  0.07)
179:     angle   (  6.830,  14.880, -14.137)  (  6.831,  14.882, -14.136)  ( 0.02,  0.01,  0.01)
179:     torsion (  0.986,  -0.661,  -0.252)  (  0.986,  -0.661,  -0.252)  ( 0.04,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.017,  -2.090,   5.369)  (  0.017,  -2.090,   5.369)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       (162.332, -31.360, 165.767)  (162.312, -31.329, 165.841)  ( 0.01,  0.10,  0.04)
179:     bond    ( 20.228, -169.925,  23.926)  ( 20.227, -169.904,  23.926)  ( 0.00,  0.01,  0.00)
179:     angle   ( 33.422,   5.569,  11.284)  ( 33.427,   5.569,  11.285)  ( 0.01,  0.00,  0.01)
179:     torsion ( 11.888,  -2.850, -30.292)  ( 11.888,  -2.850, -30.287)  ( 0.01,  0.00,  0.01)
179:     oop     (  0.236,  -0.056,  -0.599)  (  0.210,  -0.050,  -0.533)  ( 0.62,  0.03,  3.94)
179:     vdw     ( 96.558, 135.903, 161.448)  ( 96.559, 135.906, 161.451)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       (  6.868, -11.480,   4.680)  (  6.872, -11.467,   4.683)  ( 0.07,  0.11,  0.06)
179:     bond    ( -3.346,  -9.614,  -0.475)  ( -3.344,  -9.602,  -0.475)  ( 0.05,  0.13,  0.00)
179:     angle   (  4.186,  -1.551,   1.860)  (  4.189,  -1.551,   1.862)  ( 0.07,  0.02,  0.12)
179:     torsion ( -0.343,   0.074,   0.922)  ( -0.343,   0.074,   0.923)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.371,  -0.389,   2.373)  (  6.371,  -0.389,   2.373)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       (  3.014,   2.398,  11.667)  (  3.022,   2.404,  11.675)  ( 0.24,  0.24,  0.06)
179:     bond    ( -6.207,   5.487,   6.557)  ( -6.202,   5.491,   6.563)  ( 0.08,  0.07,  0.08)
179:     angle   (  0.093,  -6.009,   5.115)  (  0.096,  -6.008,   5.117)  ( 0.02,  0.02,  0.03)
179:     torsion ( -0.228,  -0.987,   0.610)  ( -0.228,  -0.987,   0.610)  ( 0.00,  0.05,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  9.356,   3.907,  -0.615)  (  9.356,   3.907,  -0.615)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( 10.342,  -0.931,  -8.154)  ( 10.346,  -0.927,  -8.142)  ( 0.04,  0.42,  0.15)
179:     bond    ( -0.146,   4.226,  -9.796)  ( -0.146,   4.229,  -9.784)  ( 0.00,  0.05,  0.12)
179:     angle   (  3.610,  -6.420,  -2.828)  (  3.614,  -6.418,  -2.828)  ( 0.10,  0.03,  0.01)
179:     torsion (  0.452,  -2.813,  -1.222)  (  0.452,  -2.812,  -1.222)  ( 0.00,  0.02,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.425,   4.075,   5.692)  (  6.425,   4.075,   5.692)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( -6.624, -14.288,  -2.175)  ( -6.621, -14.278,  -2.169)  ( 0.05,  0.07,  0.31)
179:     bond    (  0.989, -14.292,  -9.940)  (  0.989, -14.283,  -9.936)  ( 0.01,  0.07,  0.05)
179:     angle   (  8.783,   7.248,  -9.549)  (  8.785,   7.249,  -9.547)  ( 0.03,  0.01,  0.02)
179:     torsion ( -9.476,  -9.922,  13.320)  ( -9.476,  -9.922,  13.320)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.919,   2.677,   3.994)  ( -6.919,   2.677,   3.994)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       (  8.994,  -1.935, -21.348)  (  9.005,  -1.929, -21.345)  ( 0.13,  0.30,  0.01)
179:     bond    ( 12.966,   7.217,  -1.458)  ( 12.977,   7.220,  -1.458)  ( 0.08,  0.05,  0.01)
179:     angle   (  2.755,  -7.423, -12.226)  (  2.756,  -7.421, -12.223)  ( 0.02,  0.03,  0.02)
179:     torsion (  2.153,  -6.788, -14.449)  (  2.153,  -6.787, -14.450)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.881,   5.059,   6.785)  ( -8.881,   5.059,   6.785)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( -8.671, -11.979,  -0.173)  ( -8.660, -11.973,  -0.169)  ( 0.13,  0.05,  0.06)
179:     bond    (-16.832, -10.136,   1.712)  (-16.822, -10.133,   1.713)  ( 0.06,  0.04,  0.01)
179:     angle   (  6.492,  -9.808,   5.760)  (  6.493,  -9.806,   5.763)  ( 0.01,  0.02,  0.05)
179:     torsion ( -0.020,  -0.277,  -1.833)  ( -0.020,  -0.276,  -1.833)  ( 0.00,  0.02,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.689,   8.241,  -5.813)  (  1.689,   8.241,  -5.813)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       (  0.581, -21.765,  10.171)  (  0.590, -21.757,  10.175)  ( 0.53,  0.03,  0.04)
179:     bond    ( 15.609, -12.895,   6.060)  ( 15.617, -12.890,   6.061)  ( 0.05,  0.04,  0.02)
179:     angle   ( -5.964,  -6.114,   2.360)  ( -5.963,  -6.113,   2.363)  ( 0.02,  0.02,  0.12)
179:     torsion ( -8.008,  -7.854,   3.930)  ( -8.008,  -7.853,   3.930)  ( 0.01,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
193/219 Test #188: test_math_1 ......................   Passed  155.35 sec
194/219 Test #189: test_math_2 ......................   Passed  155.26 sec
195/219 Test #199: test_ringtest_1 ..................   Passed  146.31 sec
196/219 Test  #15: test_builder_1 ...................   Passed  184.68 sec
197/219 Test #209: pytest_fastsearch ................   Passed   89.23 sec
198/219 Test #211: pytest_unique ....................   Passed   89.06 sec
199/219 Test #212: pytest_kekule ....................   Passed   89.02 sec
200/219 Test #213: pytest_pdbformat .................   Passed   88.98 sec
216: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
216: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testexample.py:1: SyntaxWarning: invalid escape sequence '\P'
216:   """Example test that uses the OpenBabel Python bindings
216: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbindings.py:1: SyntaxWarning: invalid escape sequence '\P'
216:   """Test OpenBabel Python bindings
216: ..
216: ----------------------------------------------------------------------
216: Ran 2 tests in 0.056s
216: 
216: OK
216: 
201/219 Test #216: pybindtest_example ...............   Passed   88.20 sec
217: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
217: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testcdjsonformat.py:1: SyntaxWarning: invalid escape sequence '\P'
217:   """Test ChemDoodle JSON format using the OpenBabel Python bindings
217: ..........
217: ----------------------------------------------------------------------
217: Ran 10 tests in 0.197s
217: 
217: OK
217: 
202/219 Test #217: pybindtest_cdjsonformat ..........   Passed   88.07 sec
218: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
218: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testpcjsonformat.py:1: SyntaxWarning: invalid escape sequence '\P'
218:   """Test PubChem JSON format using the OpenBabel Python bindings
218: .................
218: ----------------------------------------------------------------------
218: Ran 17 tests in 0.443s
218: 
218: OK
218: 
203/219 Test #218: pybindtest_pcjsonformat ..........   Passed   87.96 sec
215: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
215: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/test_pybel.py:1: SyntaxWarning: invalid escape sequence '\P'
215:   """Test OpenBabel Python bindings
215: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbindings.py:1: SyntaxWarning: invalid escape sequence '\P'
215:   """Test OpenBabel Python bindings
215: .........................==============================
215: *** Open Babel Warning  in WriteMolecule
215:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
215: .....==============================
215: *** Open Babel Error  in SMARTSError
215:   SMARTS Error:
215: [#NOEL][#NOEL]
215:   ^
215: 
215: ....
215: ----------------------------------------------------------------------
215: Ran 34 tests in 11.885s
215: 
215: OK
215: 
204/219 Test #215: pybindtest__pybel ................   Passed   88.36 sec
205: ==============================
205: *** Open Babel Warning  in InChI code
205:   2Ferrocene :Accepted unusual valence(s): Fe(10); C(5); C-1(4);
205: ==============================
205: *** Open Babel Warning  in InChI code
205:   cancel_charges :Charges neutralized
205: ==============================
205: *** Open Babel Warning  in InChI code
205:   cuneane :Ambiguous stereo: center(s)
205: ==============================
205: *** Open Babel Warning  in InChI code
205:   trad :Accepted unusual valence(s): O-1,d(2); H,t(1)
205: 1..41
205:  # molecules converted
205: ok 1 # InChI matched expected
205: ok 2 # InChI matched expected
205: ok 3 # InChI matched expected
205: ok 4 # InChI matched expected
205: ok 5 # InChI matched expected
205: ok 6 # InChI matched expected
205: ok 7 # InChI matched expected
205: ok 8 # InChI matched expected
205: ok 9 # InChI matched expected
205: ok 10 # ignored empty InChI
205: ok 11 # ignored empty InChI
205: ok 12 # ignored empty InChI
205: ok 13 # InChI matched expected
205: ok 14 # InChI matched expected
205: ok 15 # InChI matched expected
205: ok 16 # InChI matched expected
205: ok 17 # InChI matched expected
205: ok 18 # InChI matched expected
205: ok 19 # InChI matched expected
205: ok 20 # InChI matched expected
205: ok 21 # InChI matched expected
205: ok 22 # InChI matched expected
205: ok 23 # InChI matched expected
205: ok 24 # InChI matched expected
205: ok 25 # InChI matched expected
205: ok 26 # InChI matched expected
205: ok 27 # ignored empty InChI
205: ok 28 # ignored empty InChI
205: ok 29 # InChI matched expected
205: ok 30 # InChI matched expected
205: ok 31 # InChI matched expected
205: ok 32 # InChI matched expected
205: ok 33 # InChI matched expected
205: ok 34 # InChI matched expected
205: ok 35 # InChI matched expected
205: ok 36 # InChI matched expected
205: ok 37 # InChI matched expected
205: ok 38 # InChI matched expected
205: ok 39 # InChI matched expected
205: ok 40 # InChI matched expected
205: ok 41 # InChI matched expected
205: 36 molecules compared
205: # 5 # empty molecules skipped
205: 0 failures
205/219 Test #205: inchiSamples.sdf_Test ............   Passed   89.56 sec
219: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/riscv64-redhat-linux-gnu/lib64
206: ==============================
206: *** Open Babel Warning  in InChI code
206:   Table04 :Salt was disconnected;
206: ==============================
206: *** Open Babel Warning  in InChI code
206:   Table09 :Ambiguous stereo: center(s);
206: ==============================
206: *** Open Babel Warning  in InChI code
206:   Table10 :Ambiguous stereo: center(s)
206: 1..44
206:  # molecules converted
206: ok 1 # InChI matched expected
206: ok 2 # InChI matched expected
206: ok 3 # InChI matched expected
206: ok 4 # InChI matched expected
206: ok 5 # InChI matched expected
206: ok 6 # InChI matched expected
206: ok 7 # InChI matched expected
206: ok 8 # InChI matched expected
206: ok 9 # InChI matched expected
206: ok 10 # InChI matched expected
206: ok 11 # InChI matched expected
206: ok 12 # InChI matched expected
206: ok 13 # InChI matched expected
206: ok 14 # InChI matched expected
206: ok 15 # InChI matched expected
206: ok 16 # InChI matched expected
206: ok 17 # InChI matched expected
206: ok 18 # InChI matched expected
206: ok 19 # InChI matched expected
206: ok 20 # InChI matched expected
206: ok 21 # InChI matched expected
206: ok 22 # InChI matched expected
206: ok 23 # InChI matched expected
206: ok 24 # InChI matched expected
206: ok 25 # InChI matched expected
206: ok 26 # ignored empty InChI
206: ok 27 # InChI matched expected
206: ok 28 # InChI matched expected
206: ok 29 # ignored empty InChI
206: ok 30 # InChI matched expected
206: ok 31 # ignored empty InChI
206: ok 32 # InChI matched expected
206: ok 33 # InChI matched expected
206: ok 34 # ignored empty InChI
206: ok 35 # InChI matched expected
206: ok 36 # InChI matched expected
206: ok 37 # InChI matched expected
206: ok 38 # InChI matched expected
206: ok 39 # ignored empty InChI
206: ok 40 # InChI matched expected
206: ok 41 # InChI matched expected
206: ok 42 # ignored empty InChI
206: ok 43 # ignored empty InChI
206: ok 44 # ignored empty InChI
206: 36 molecules compared
206: # 8 # empty molecules skipped
206: 0 failures
206/219 Test #206: inchiSamplesTechMan.sdf_Test .....   Passed   89.49 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pjb_983.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pjc_343.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pjl_047.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xcf_bbq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xch_ckg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xck_mh4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xd6_xd6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xd9_xd9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xda_jps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xe2_oes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xef_ar8.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xg5_ec2.sdf
171:     oop     ( -0.035,  -0.633,   2.435)  ( -0.035,  -0.633,   2.436)  ( 0.00,  0.00,  0.03)
171:     vdw     (-23.572,  13.279,   7.220)  (-23.571,  13.280,   7.220)  ( 0.00,  0.01,  0.00)
171:     electro (  0.029,  -0.261,  -0.103)  (  0.029,  -0.261,  -0.103)  ( 0.00,  0.00,  0.00)
171: 17       (-34.139,  -6.910,  -2.404)  (-34.120,  -6.891,  -2.401)  ( 0.06,  0.27,  0.15)
171:     bond    (-16.269,  56.492,   4.485)  (-16.253,  56.504,   4.485)  ( 0.10,  0.02,  0.00)
171:     angle   ( -8.391,  -9.142,   8.465)  ( -8.388,  -9.137,   8.467)  ( 0.04,  0.06,  0.02)
171:     torsion ( -0.305,  -1.435,   4.824)  ( -0.305,  -1.435,   4.825)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -6.781, -48.880, -28.596)  ( -6.781, -48.878, -28.596)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.393,  -3.945,   8.418)  ( -2.393,  -3.945,   8.418)  ( 0.00,  0.00,  0.00)
171: 18       (146.126, -63.992, -117.741)  (146.152, -63.966, -117.715)  ( 0.02,  0.04,  0.02)
171:     bond    ( 60.804, -67.609, -76.802)  ( 60.822, -67.592, -76.783)  ( 0.03,  0.03,  0.02)
171:     angle   ( 50.538,   6.452, -38.791)  ( 50.546,   6.461, -38.783)  ( 0.02,  0.14,  0.02)
171:     torsion (  1.410,  -0.020,  -3.542)  (  1.410,  -0.020,  -3.541)  ( 0.02,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 31.773,  -2.217,   1.567)  ( 31.774,  -2.217,   1.566)  ( 0.00,  0.00,  0.00)
171:     electro (  1.601,  -0.598,  -0.174)  (  1.601,  -0.598,  -0.174)  ( 0.00,  0.00,  0.00)
171: 19       (-12.259, -67.676, 112.616)  (-12.232, -67.650, 112.643)  ( 0.22,  0.04,  0.02)
171:     bond    ( -2.071, -43.907,  76.597)  ( -2.053, -43.888,  76.616)  ( 0.91,  0.04,  0.02)
171:     angle   (-16.897, -16.971,  31.218)  (-16.889, -16.963,  31.226)  ( 0.04,  0.04,  0.03)
171:     torsion ( -1.851,  -0.486,  -0.491)  ( -1.851,  -0.485,  -0.491)  ( 0.01,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  9.091,  -6.867,   5.637)  (  9.091,  -6.867,   5.637)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.531,   0.554,  -0.344)  ( -0.531,   0.554,  -0.344)  ( 0.00,  0.00,  0.00)
171: 20       (-413.734, -385.279, -145.698)  (-413.703, -385.240, -145.691)  ( 0.01,  0.01,  0.01)
171:     bond    (-403.589, -414.547, -130.803)  (-403.566, -414.518, -130.800)  ( 0.01,  0.01,  0.00)
171:     angle   ( 12.719,  44.244, -14.018)  ( 12.726,  44.252, -14.017)  ( 0.05,  0.02,  0.01)
171:     torsion ( -3.504,   1.828,   4.666)  ( -3.503,   1.828,   4.670)  ( 0.03,  0.01,  0.08)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-22.891, -15.051,  -5.706)  (-22.890, -15.050,  -5.706)  ( 0.00,  0.00,  0.00)
171:     electro (  3.530,  -1.753,   0.162)  (  3.530,  -1.753,   0.162)  ( 0.00,  0.00,  0.00)
171: 21       ( 69.031, 439.916,  27.194)  ( 69.050, 439.947,  27.199)  ( 0.03,  0.01,  0.02)
171:     bond    (105.109, 354.969,  20.611)  (105.119, 354.998,  20.612)  ( 0.01,  0.01,  0.01)
171:     angle   (-38.753,  59.524, -20.345)  (-38.746,  59.526, -20.344)  ( 0.02,  0.00,  0.00)
171:     torsion (-12.418,   1.804,  34.038)  (-12.418,   1.804,  34.040)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 19.702,  24.237,  -7.723)  ( 19.703,  24.238,  -7.723)  ( 0.01,  0.00,  0.00)
171:     electro ( -4.609,  -0.619,   0.613)  ( -4.609,  -0.619,   0.613)  ( 0.00,  0.00,  0.00)
171: 22       (-319.638, -256.278, -99.435)  (-319.607, -256.241, -99.429)  ( 0.01,  0.01,  0.01)
171:     bond    (-309.224, -196.267, -103.821)  (-309.200, -196.240, -103.818)  ( 0.01,  0.01,  0.00)
171:     angle   (  0.878, -118.814,  10.313)  (  0.885, -118.806,  10.312)  ( 0.62,  0.01,  0.01)
171:     torsion (  0.525,  -0.158,  -1.178)  (  0.526,  -0.158,  -1.175)  ( 0.02,  0.00,  0.22)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-12.918,  62.748,  -5.117)  (-12.918,  62.750,  -5.117)  ( 0.00,  0.00,  0.00)
171:     electro (  1.100,  -3.786,   0.369)  (  1.100,  -3.786,   0.369)  ( 0.00,  0.00,  0.00)
171: 23       ( 60.304,  68.497,  13.003)  ( 60.331,  68.534,  13.011)  ( 0.05,  0.05,  0.06)
171:     bond    (141.796, -93.271,  59.722)  (141.815, -93.242,  59.724)  ( 0.01,  0.03,  0.00)
171:     angle   (-104.386, 137.818, -48.662)  (-104.379, 137.825, -48.660)  ( 0.01,  0.01,  0.00)
171:     torsion (  1.522,  -0.256,  -4.043)  (  1.522,  -0.256,  -4.039)  ( 0.03,  0.00,  0.09)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 20.305,  23.042,   6.134)  ( 20.305,  23.042,   6.134)  ( 0.00,  0.00,  0.00)
171:     electro (  1.068,   1.164,  -0.149)  (  1.068,   1.164,  -0.149)  ( 0.00,  0.00,  0.00)
171: 24       (-67.290,  -9.475, -27.056)  (-67.249,  -9.439, -27.047)  ( 0.06,  0.38,  0.04)
171:     bond    (-30.633, -25.999, -10.170)  (-30.600, -25.974, -10.164)  ( 0.11,  0.10,  0.06)
171:     angle   (-40.862,  34.218, -18.476)  (-40.855,  34.229, -18.475)  ( 0.02,  0.03,  0.01)
171:     torsion ( -0.394,   0.036,   1.094)  ( -0.393,   0.036,   1.097)  ( 0.02,  0.00,  0.30)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 13.081, -11.814,   5.483)  ( 13.082, -11.814,   5.483)  ( 0.00,  0.00,  0.00)
171:     electro ( -8.482,  -5.916,  -4.988)  ( -8.482,  -5.916,  -4.988)  ( 0.00,  0.00,  0.00)
171: 25       (301.981, -105.140, 116.200)  (302.013, -105.103, 116.207)  ( 0.01,  0.04,  0.01)
171:     bond    (247.377,  -1.415,  95.326)  (247.401,  -1.391,  95.329)  ( 0.01,  1.69,  0.00)
171:     angle   (  9.935, -102.399,  11.221)  (  9.941, -102.388,  11.222)  ( 0.07,  0.01,  0.01)
171:     torsion ( 13.540,  -2.349, -35.450)  ( 13.541,  -2.349, -35.447)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 30.680, -16.006,  36.690)  ( 30.680, -16.003,  36.690)  ( 0.00,  0.02,  0.00)
171:     electro (  0.449,  17.028,   8.413)  (  0.449,  17.028,   8.413)  ( 0.00,  0.00,  0.00)
171: 26       (-48.127, -45.901, -29.735)  (-48.099, -45.868, -29.729)  ( 0.06,  0.07,  0.02)
171:     bond    (-163.266,   6.242, -62.884)  (-163.245,   6.266, -62.882)  ( 0.01,  0.38,  0.00)
171:     angle   (113.983, -50.151,  14.930)  (113.990, -50.142,  14.932)  ( 0.01,  0.02,  0.01)
171:     torsion ( -0.811,  -0.077,   1.712)  ( -0.811,  -0.077,   1.714)  ( 0.02,  0.00,  0.10)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.135,  -1.084,  16.039)  (  2.135,  -1.084,  16.039)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.168,  -0.831,   0.468)  ( -0.168,  -0.831,   0.468)  ( 0.00,  0.00,  0.00)
171: 27       (215.505, 204.878,  65.902)  (215.528, 204.903,  65.906)  ( 0.01,  0.01,  0.01)
171:     bond    (178.269,  51.348,  64.154)  (178.290,  51.364,  64.157)  ( 0.01,  0.03,  0.00)
171:     angle   ( 32.662, 155.314,   0.163)  ( 32.664, 155.322,   0.163)  ( 0.01,  0.01,  0.00)
171:     torsion (  0.325,  -0.050,  -0.859)  (  0.325,  -0.050,  -0.857)  ( 0.01,  0.00,  0.12)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.602,  -4.752,   2.472)  (  3.602,  -4.752,   2.472)  ( 0.01,  0.00,  0.00)
171:     electro (  0.647,   3.018,  -0.028)  (  0.647,   3.018,  -0.028)  ( 0.00,  0.00,  0.00)
171: 28       ( 79.090, -164.187,  43.019)  ( 79.122, -164.151,  43.028)  ( 0.04,  0.02,  0.02)
171:     bond    ( 29.223,  52.556,   7.122)  ( 29.247,  52.583,   7.125)  ( 0.08,  0.05,  0.05)
171:     angle   ( 52.488, -224.762,  35.854)  ( 52.495, -224.753,  35.856)  ( 0.01,  0.00,  0.01)
171:     torsion ( -0.555,   0.089,   1.476)  ( -0.554,   0.089,   1.479)  ( 0.02,  0.00,  0.19)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.194,   1.911,  -1.050)  ( -1.194,   1.911,  -1.050)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.872,   6.019,  -0.383)  ( -0.872,   6.019,  -0.383)  ( 0.00,  0.00,  0.00)
171: 29       (-19.992,  10.306,  -8.017)  (-19.972,  10.313,  -8.013)  ( 0.10,  0.07,  0.05)
171:     bond    (-23.634,   9.974,  -9.891)  (-23.614,   9.978,  -9.888)  ( 0.08,  0.04,  0.04)
171:     angle   (  4.940,  12.856,   1.179)  (  4.940,  12.859,   1.179)  ( 0.01,  0.03,  0.00)
171:     torsion (  0.275,  -0.037,  -0.696)  (  0.275,  -0.037,  -0.695)  ( 0.00,  0.00,  0.05)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.348, -10.851,  -0.672)  ( -3.348, -10.850,  -0.672)  ( 0.00,  0.00,  0.00)
171:     electro (  1.774,  -1.636,   2.064)  (  1.774,  -1.636,   2.064)  ( 0.00,  0.00,  0.00)
171: 30       ( 28.568, 118.247,   2.614)  ( 28.595, 118.276,   2.641)  ( 0.10,  0.02,  1.02)
171:     bond    ( 26.025,   1.138,   9.660)  ( 26.044,   1.157,   9.680)  ( 0.07,  1.67,  0.20)
171:     angle   ( -2.031, 105.588,  -8.649)  ( -2.023, 105.597,  -8.642)  ( 0.39,  0.01,  0.08)
171:     torsion ( -0.265,   0.055,   0.711)  ( -0.265,   0.055,   0.711)  ( 0.00,  0.00,  0.03)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.833,  12.485,   0.837)  (  4.833,  12.485,   0.837)  ( 0.00,  0.00,  0.00)
171:     electro (  0.006,  -1.018,   0.054)  (  0.006,  -1.018,   0.054)  ( 0.00,  0.00,  0.00)
171: 31       (-118.008, -29.322,  76.846)  (-117.980, -29.294,  76.872)  ( 0.02,  0.09,  0.03)
171:     bond    (-60.072,  25.033,  41.153)  (-60.053,  25.052,  41.171)  ( 0.03,  0.07,  0.04)
171:     angle   (-57.334, -58.998,  31.573)  (-57.325, -58.989,  31.580)  ( 0.01,  0.01,  0.02)
171:     torsion ( -0.243,   0.254,   1.067)  ( -0.243,   0.254,   1.068)  ( 0.01,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.358,   4.364,   3.091)  ( -0.358,   4.364,   3.091)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.002,   0.024,  -0.038)  ( -0.002,   0.024,  -0.038)  ( 0.00,  0.00,  0.00)
171: 32       ( 21.941,  96.497, -38.091)  ( 21.968,  96.524, -38.065)  ( 0.12,  0.03,  0.07)
171:     bond    (  6.399,  78.046, -23.251)  (  6.418,  78.064, -23.233)  ( 0.29,  0.02,  0.08)
171:     angle   ( 17.859,  16.298, -11.339)  ( 17.867,  16.307, -11.331)  ( 0.04,  0.05,  0.07)
171:     torsion (  0.103,   1.410,  -0.517)  (  0.103,   1.410,  -0.517)  ( 0.00,  0.02,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.984,   0.260,  -2.257)  ( -1.984,   0.260,  -2.257)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.436,   0.483,  -0.726)  ( -0.436,   0.483,  -0.726)  ( 0.00,  0.00,  0.00)
171: 33       ( -0.203, -82.320, -65.334)  ( -0.177, -82.294, -65.307)  ( 0.54,  0.03,  0.04)
171:     bond    (  0.483, -51.986, -43.271)  (  0.502, -51.967, -43.253)  ( 0.92,  0.04,  0.04)
171:     angle   (  0.825, -30.598, -10.208)  (  0.833, -30.590, -10.201)  ( 0.59,  0.03,  0.07)
171:     torsion (  0.419,  -0.019,   0.041)  (  0.420,  -0.019,   0.041)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.518,   0.166, -11.482)  ( -1.518,   0.166, -11.481)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.414,   0.116,  -0.413)  ( -0.414,   0.116,  -0.413)  ( 0.00,  0.00,  0.00)
171: 34       ( 28.189, -56.951,  -1.521)  ( 28.193, -56.938,  -1.518)  ( 0.02,  0.02,  0.17)
171:     bond    ( 22.740, -62.102,   3.059)  ( 22.742, -62.090,   3.059)  ( 0.01,  0.02,  0.01)
171:     angle   (  8.629,   2.796,  -7.421)  (  8.631,   2.796,  -7.419)  ( 0.03,  0.01,  0.03)
171:     torsion (  0.979,   0.305,  -1.082)  (  0.979,   0.305,  -1.082)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.351,   1.650,   3.098)  ( -4.351,   1.650,   3.098)  ( 0.00,  0.00,  0.00)
171:     electro (  0.192,   0.402,   0.825)  (  0.192,   0.402,   0.825)  ( 0.00,  0.00,  0.00)
171: 35       ( 23.961,  22.658, -58.454)  ( 23.965,  22.662, -58.442)  ( 0.01,  0.02,  0.02)
171:     bond    ( 15.695,  24.384, -60.652)  ( 15.696,  24.386, -60.640)  ( 0.01,  0.01,  0.02)
171:     angle   ( 12.639,  -1.024,   2.860)  ( 12.642,  -1.022,   2.861)  ( 0.02,  0.18,  0.02)
171:     torsion ( -0.438,   0.017,  -0.107)  ( -0.438,   0.017,  -0.107)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.537,  -1.666,  -1.662)  ( -4.537,  -1.666,  -1.662)  ( 0.00,  0.00,  0.00)
171:     electro (  0.603,   0.947,   1.106)  (  0.603,   0.947,   1.106)  ( 0.00,  0.00,  0.00)
171: 36       ( 63.903,   1.291,  -9.759)  ( 63.917,   1.294,  -9.756)  ( 0.02,  0.20,  0.03)
171:     bond    ( 65.790,  -3.836,  -9.623)  ( 65.804,  -3.836,  -9.622)  ( 0.02,  0.01,  0.01)
171:     angle   ( -0.500,   5.235,  -5.508)  ( -0.500,   5.237,  -5.506)  ( 0.00,  0.04,  0.04)
171:     torsion ( -0.009,  -0.753,   0.237)  ( -0.009,  -0.753,   0.237)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.878,   0.527,   4.101)  ( -0.878,   0.527,   4.101)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.499,   0.119,   1.034)  ( -0.499,   0.119,   1.034)  ( 0.00,  0.00,  0.00)
171: 37       ( -9.271,  60.648,  -9.108)  ( -9.268,  60.661,  -9.105)  ( 0.04,  0.02,  0.03)
171:     bond    (-17.431,  62.884,  -7.653)  (-17.430,  62.897,  -7.652)  ( 0.01,  0.02,  0.01)
171:     angle   (  8.734,   1.467,  -7.843)  (  8.736,   1.467,  -7.841)  ( 0.02,  0.01,  0.03)
171:     torsion (  1.973,   0.481,  -0.542)  (  1.973,   0.481,  -0.542)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.279,  -4.010,   5.533)  ( -2.279,  -4.010,   5.533)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.268,  -0.174,   1.397)  ( -0.268,  -0.174,   1.397)  ( 0.00,  0.00,  0.00)
171: 38       (-16.458, -18.347,  59.777)  (-16.455, -18.343,  59.789)  ( 0.02,  0.02,  0.02)
171:     bond    (-14.915, -23.631,  60.460)  (-14.914, -23.629,  60.472)  ( 0.01,  0.01,  0.02)
171:     angle   ( -6.543,   3.669,  -0.179)  ( -6.540,   3.671,  -0.179)  ( 0.04,  0.05,  0.01)
171:     torsion (  0.344,  -0.544,  -0.128)  (  0.344,  -0.544,  -0.128)  ( 0.00,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  3.903,   1.685,  -0.006)  (  3.903,   1.685,  -0.006)  ( 0.00,  0.00,  0.00)
171:     electro (  0.753,   0.475,  -0.371)  (  0.753,   0.475,  -0.371)  ( 0.00,  0.00,  0.00)
171: 39       (-25.095,  56.685,   3.665)  (-25.091,  56.698,   3.668)  ( 0.02,  0.02,  0.07)
171:     bond    (-22.755,  61.554,  -3.326)  (-22.753,  61.566,  -3.326)  ( 0.01,  0.02,  0.01)
171:     angle   ( -9.216,  -3.000,   7.499)  ( -9.213,  -3.000,   7.501)  ( 0.02,  0.01,  0.03)
171:     torsion ( -0.769,  -0.189,   1.757)  ( -0.769,  -0.189,   1.757)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.660,  -1.802,  -2.186)  (  6.660,  -1.802,  -2.186)  ( 0.00,  0.00,  0.00)
171:     electro (  0.985,   0.123,  -0.078)  (  0.985,   0.123,  -0.078)  ( 0.00,  0.00,  0.00)
171: 40       (-65.919,  -0.873,  16.880)  (-65.906,  -0.870,  16.884)  ( 0.02,  0.22,  0.02)
171:     bond    (-66.810,   3.375,  10.478)  (-66.796,   3.376,  10.478)  ( 0.02,  0.01,  0.01)
171:     angle   (  1.413,  -5.003,  10.616)  (  1.413,  -5.001,  10.618)  ( 0.01,  0.04,  0.02)
171:     torsion ( -0.080,  -0.246,  -0.431)  ( -0.080,  -0.246,  -0.431)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.119,  -0.016,  -3.644)  ( -0.119,  -0.016,  -3.644)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.323,   1.018,  -0.138)  ( -0.323,   1.018,  -0.138)  ( 0.00,  0.00,  0.00)
171: 41       ( 12.030, -60.568,  14.896)  ( 12.034, -60.555,  14.899)  ( 0.03,  0.02,  0.02)
171:     bond    ( 18.258, -63.191,   7.895)  ( 18.259, -63.178,   7.896)  ( 0.01,  0.02,  0.01)
171:     angle   ( -7.961,  -0.960,  10.725)  ( -7.959,  -0.960,  10.727)  ( 0.02,  0.02,  0.02)
171:     torsion ( -0.871,  -0.147,   0.836)  ( -0.871,  -0.147,   0.836)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.556,   3.027,  -5.023)  (  2.556,   3.028,  -5.023)  ( 0.00,  0.00,  0.00)
171:     electro (  0.049,   0.702,   0.463)  (  0.049,   0.702,   0.463)  ( 0.00,  0.00,  0.00)
171: 42       ( -9.460,  56.170,   5.244)  ( -9.457,  56.183,   5.247)  ( 0.04,  0.02,  0.05)
171:     bond    (-16.292,  56.900,  -2.500)  (-16.291,  56.913,  -2.500)  ( 0.01,  0.02,  0.01)
171:     angle   (  9.866,   3.363,  12.263)  (  9.868,   3.363,  12.266)  ( 0.02,  0.00,  0.02)
171:     torsion ( -0.024,  -0.006,   0.020)  ( -0.023,  -0.006,   0.020)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -2.417,  -3.477,  -3.780)  ( -2.417,  -3.477,  -3.780)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.594,  -0.611,  -0.759)  ( -0.594,  -0.611,  -0.759)  ( 0.00,  0.00,  0.00)
171: 43       ( 58.073,  -1.976,   2.889)  ( 58.087,  -1.973,   2.891)  ( 0.02,  0.13,  0.10)
171:     bond    ( 58.666,  -3.179,  -7.229)  ( 58.680,  -3.178,  -7.228)  ( 0.02,  0.01,  0.01)
171:     angle   (  1.855,   1.963,  14.192)  (  1.855,   1.965,  14.195)  ( 0.00,  0.11,  0.02)
171:     torsion (  0.010,  -0.247,   0.188)  (  0.010,  -0.247,   0.188)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.755,  -0.423,  -3.552)  ( -1.755,  -0.423,  -3.552)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.703,  -0.090,  -0.712)  ( -0.703,  -0.090,  -0.712)  ( 0.00,  0.00,  0.00)
171: 44       ( -2.553, -17.136,  55.620)  ( -2.550, -17.132,  55.633)  ( 0.12,  0.02,  0.02)
171:     bond    (-11.943, -20.711,  54.183)  (-11.942, -20.709,  54.195)  ( 0.01,  0.01,  0.02)
171:     angle   ( 12.833,   4.621,   4.594)  ( 12.835,   4.623,   4.595)  ( 0.02,  0.04,  0.01)
171:     torsion (  0.297,  -0.227,  -0.021)  (  0.297,  -0.227,  -0.021)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.070,  -0.743,  -2.352)  ( -3.070,  -0.743,  -2.352)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.671,  -0.076,  -0.784)  ( -0.671,  -0.076,  -0.784)  ( 0.00,  0.00,  0.00)
171: 45       ( 27.102,  34.168,   8.332)  ( 27.110,  34.177,   8.334)  ( 0.03,  0.03,  0.02)
171:     bond    ( 31.075,  30.987,   6.962)  ( 31.082,  30.994,   6.962)  ( 0.02,  0.02,  0.01)
171:     angle   ( -4.082,   3.876,   0.958)  ( -4.081,   3.877,   0.958)  ( 0.04,  0.04,  0.01)
171:     torsion ( -0.015,   0.166,  -0.674)  ( -0.015,   0.166,  -0.673)  ( 0.00,  0.00,  0.09)
171:     oop     (  0.003,  -0.054,   0.224)  (  0.003,  -0.054,   0.224)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.670,  -2.499,   0.018)  (  1.670,  -2.499,   0.018)  ( 0.01,  0.00,  0.00)
171:     electro ( -1.550,   1.693,   0.844)  ( -1.550,   1.693,   0.844)  ( 0.00,  0.00,  0.00)
171: 46       (  1.997,  42.527,  11.125)  (  2.002,  42.540,  11.127)  ( 0.24,  0.03,  0.02)
171:     bond    ( -7.218,  36.059,   9.415)  ( -7.217,  36.072,   9.416)  ( 0.01,  0.04,  0.01)
171:     angle   ( 33.747,   6.444,   1.182)  ( 33.751,   6.444,   1.182)  ( 0.01,  0.00,  0.00)
171:     torsion (  0.021,  -0.670,   2.582)  (  0.021,  -0.670,   2.583)  ( 0.00,  0.01,  0.05)
171:     oop     (  0.010,  -0.092,   0.361)  (  0.010,  -0.092,   0.361)  ( 0.00,  0.00,  0.00)
171:     vdw     (-23.961,  -0.589,  -2.766)  (-23.960,  -0.589,  -2.766)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.603,   1.374,   0.352)  ( -0.603,   1.374,   0.352)  ( 0.00,  0.00,  0.00)
171: 47       (  9.288, -38.945, -13.120)  (  9.293, -38.932, -13.118)  ( 0.05,  0.03,  0.02)
171:     bond    ( 11.188, -38.851, -10.799)  ( 11.189, -38.839, -10.798)  ( 0.01,  0.03,  0.01)
171:     angle   ( 14.206,   3.896,   0.711)  ( 14.210,   3.896,   0.711)  ( 0.02,  0.01,  0.00)
171:     torsion ( -0.076,   1.280,  -4.685)  ( -0.076,   1.281,  -4.684)  ( 0.00,  0.01,  0.03)
171:     oop     (  0.019,   0.262,  -0.924)  (  0.019,   0.262,  -0.924)  ( 0.00,  0.00,  0.01)
171:     vdw     (-16.315,  -5.485,   2.850)  (-16.314,  -5.485,   2.850)  ( 0.00,  0.00,  0.00)
171:     electro (  0.265,  -0.047,  -0.273)  (  0.265,  -0.047,  -0.273)  ( 0.00,  0.00,  0.00)
171: 48       (-60.403,  -5.035,  21.722)  (-60.390,  -5.032,  21.726)  ( 0.02,  0.06,  0.01)
171:     bond    (-64.105,  -1.676,  15.103)  (-64.092,  -1.676,  15.104)  ( 0.02,  0.02,  0.01)
171:     angle   (  1.444,  -3.785,   5.707)  (  1.444,  -3.783,   5.710)  ( 0.01,  0.06,  0.04)
171:     torsion (  0.505,   0.134,   2.158)  (  0.505,   0.134,   2.158)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.001,   0.692,  -0.603)  ( -0.001,   0.692,  -0.603)  ( 0.00,  0.00,  0.00)
171:     electro (  1.754,  -0.400,  -0.643)  (  1.754,  -0.400,  -0.643)  ( 0.00,  0.00,  0.00)
171: 49       (  6.656,  15.165,  51.683)  (  6.661,  15.170,  51.692)  ( 0.08,  0.03,  0.02)
171:     bond    ( 22.852,  22.698,  38.776)  ( 22.855,  22.701,  38.784)  ( 0.01,  0.01,  0.02)
171:     angle   (-29.656,  -3.057,  19.263)  (-29.655,  -3.055,  19.263)  ( 0.01,  0.07,  0.00)
171:     torsion (  0.273,   0.567,  -0.493)  (  0.274,   0.567,  -0.493)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 11.331,  -3.920,  -4.538)  ( 11.332,  -3.920,  -4.538)  ( 0.00,  0.00,  0.00)
171:     electro (  1.856,  -1.123,  -1.324)  (  1.856,  -1.123,  -1.324)  ( 0.00,  0.00,  0.00)
171: 50       (-19.312,  60.730,  -2.431)  (-19.308,  60.742,  -2.429)  ( 0.02,  0.02,  0.11)
171:     bond    (-22.985,  58.803,   4.459)  (-22.983,  58.816,   4.459)  ( 0.01,  0.02,  0.01)
171:     angle   (  3.694,   2.016,  -7.548)  (  3.695,   2.016,  -7.546)  ( 0.05,  0.01,  0.03)
171:     torsion (  0.076,   0.028,   0.025)  (  0.076,   0.028,   0.025)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.302,  -0.163,   0.422)  ( -0.302,  -0.163,   0.422)  ( 0.00,  0.00,  0.00)
171:     electro (  0.205,   0.045,   0.211)  (  0.205,   0.045,   0.211)  ( 0.00,  0.00,  0.00)
171: 51       ( 53.698,   9.523, -25.687)  ( 53.711,   9.525, -25.684)  ( 0.02,  0.03,  0.01)
171:     bond    ( 54.442,   4.355, -16.447)  ( 54.455,   4.355, -16.445)  ( 0.02,  0.01,  0.01)
171:     angle   ( -6.098,  11.773, -17.075)  ( -6.098,  11.775, -17.073)  ( 0.00,  0.02,  0.01)
171:     torsion ( -0.007,  -0.072,  -0.041)  ( -0.007,  -0.072,  -0.041)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  4.822,  -6.594,   7.573)  (  4.822,  -6.594,   7.573)  ( 0.00,  0.00,  0.00)
171:     electro (  0.538,   0.061,   0.303)  (  0.538,   0.061,   0.303)  ( 0.00,  0.00,  0.00)
171: 52       (-27.923, -23.350, -51.173)  (-27.918, -23.345, -51.164)  ( 0.02,  0.02,  0.02)
171:     bond    (-31.596, -29.504, -46.330)  (-31.592, -29.500, -46.323)  ( 0.01,  0.01,  0.02)
171:     angle   (  3.410,   6.639,  -6.557)  (  3.412,   6.641,  -6.556)  ( 0.04,  0.03,  0.02)
171:     torsion ( -0.166,   0.111,   0.042)  ( -0.166,   0.111,   0.042)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.262,  -0.833,   1.812)  (  0.262,  -0.833,   1.812)  ( 0.00,  0.00,  0.00)
171:     electro (  0.167,   0.237,  -0.139)  (  0.167,   0.237,  -0.139)  ( 0.00,  0.00,  0.00)
171: 53       ( 12.631, -21.243,  -9.249)  ( 12.635, -21.226,  -9.248)  ( 0.03,  0.08,  0.01)
171:     bond    (  1.828, -15.373,   2.162)  (  1.828, -15.357,   2.162)  ( 0.01,  0.11,  0.01)
171:     angle   (  8.565,   1.417,   2.819)  (  8.568,   1.417,   2.819)  ( 0.04,  0.01,  0.02)
171:     torsion (  1.344,  -0.306,  -3.313)  (  1.344,  -0.306,  -3.312)  ( 0.01,  0.00,  0.02)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.500,   1.282,   1.201)  (  0.500,   1.282,   1.201)  ( 0.00,  0.00,  0.00)
171:     electro (  0.394,  -8.262, -12.118)  (  0.394,  -8.262, -12.118)  ( 0.00,  0.00,  0.00)
171: 54       (-14.784, -53.918,  -1.022)  (-14.780, -53.905,  -1.020)  ( 0.03,  0.02,  0.23)
171:     bond    (-18.551, -53.271,  -2.633)  (-18.549, -53.258,  -2.632)  ( 0.01,  0.02,  0.01)
171:     angle   (  1.160,  -0.437,   0.650)  (  1.162,  -0.437,   0.652)  ( 0.18,  0.01,  0.13)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.402,  -0.248,   0.900)  (  2.402,  -0.248,   0.900)  ( 0.00,  0.00,  0.00)
171:     electro (  0.204,   0.038,   0.061)  (  0.204,   0.038,   0.061)  ( 0.00,  0.00,  0.00)
171: 55       (-30.552,  23.822,  40.548)  (-30.546,  23.827,  40.555)  ( 0.02,  0.02,  0.02)
171:     bond    (-33.370,  29.535,  35.300)  (-33.365,  29.539,  35.305)  ( 0.02,  0.01,  0.02)
171:     angle   ( -0.150,  -6.357,   5.176)  ( -0.149,  -6.355,   5.177)  ( 0.02,  0.02,  0.03)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  2.225,   1.329,  -0.281)  (  2.225,   1.329,  -0.281)  ( 0.00,  0.00,  0.00)
171:     electro (  0.743,  -0.686,   0.354)  (  0.743,  -0.686,   0.354)  ( 0.00,  0.00,  0.00)
171: 56       (  4.719,  16.441, -53.633)  (  4.722,  16.445, -53.621)  ( 0.06,  0.03,  0.02)
171:     bond    ( -0.778,  22.587, -52.280)  ( -0.778,  22.589, -52.268)  ( 0.02,  0.01,  0.02)
171:     angle   (  3.260,  -6.806,  -2.990)  (  3.263,  -6.805,  -2.989)  ( 0.07,  0.02,  0.01)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  1.444,   1.315,   1.369)  (  1.444,   1.315,   1.369)  ( 0.00,  0.00,  0.00)
171:     electro (  0.792,  -0.655,   0.268)  (  0.792,  -0.655,   0.268)  ( 0.00,  0.00,  0.00)
171: 57       ( -1.732, -47.778, -45.510)  ( -1.730, -47.767, -45.503)  ( 0.15,  0.02,  0.01)
171:     bond    (  3.795, -54.841, -38.148)  (  3.796, -54.832, -38.144)  ( 0.01,  0.02,  0.01)
171:     angle   ( -2.631,   5.826,  -8.640)  ( -2.629,   5.827,  -8.638)  ( 0.08,  0.01,  0.02)
171:     torsion (  0.589,  -0.017,   0.083)  (  0.589,  -0.017,   0.083)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -4.066,   1.758,   0.897)  ( -4.066,   1.758,   0.897)  ( 0.00,  0.00,  0.00)
171:     electro (  0.581,  -0.504,   0.299)  (  0.581,  -0.504,   0.299)  ( 0.00,  0.00,  0.00)
171: 58       ( 50.420,  36.227, -10.971)  ( 50.432,  36.232, -10.968)  ( 0.02,  0.01,  0.03)
171:     bond    ( 55.952,  31.133,  -6.287)  ( 55.963,  31.136,  -6.286)  ( 0.02,  0.01,  0.01)
171:     angle   ( -2.282,   2.522,  -7.819)  ( -2.282,   2.523,  -7.817)  ( 0.02,  0.07,  0.03)
171:     torsion (  0.052,  -0.097,  -0.018)  (  0.052,  -0.097,  -0.018)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -3.740,   3.140,   2.809)  ( -3.740,   3.140,   2.809)  ( 0.00,  0.00,  0.00)
171:     electro (  0.439,  -0.470,   0.344)  (  0.439,  -0.470,   0.344)  ( 0.00,  0.00,  0.00)
171: 59       (-56.455, -35.574,   6.114)  (-56.444, -35.569,   6.117)  ( 0.02,  0.02,  0.05)
171:     bond    (-59.090, -35.589,   6.014)  (-59.080, -35.585,   6.015)  ( 0.02,  0.01,  0.01)
171:     angle   (  1.971,  -2.844,   2.547)  (  1.971,  -2.842,   2.550)  ( 0.03,  0.05,  0.09)
171:     torsion ( -0.002,  -0.041,  -0.260)  ( -0.002,  -0.041,  -0.260)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.254,   2.953,  -2.641)  (  0.254,   2.953,  -2.641)  ( 0.00,  0.00,  0.00)
171:     electro (  0.412,  -0.053,   0.454)  (  0.412,  -0.053,   0.454)  ( 0.00,  0.00,  0.00)
171: 60       ( 50.380, -43.074,  21.150)  ( 50.389, -43.067,  21.153)  ( 0.02,  0.02,  0.02)
171:     bond    ( 52.215, -43.110,  20.266)  ( 52.222, -43.104,  20.268)  ( 0.02,  0.01,  0.01)
171:     angle   ( -0.583,  -0.346,   0.764)  ( -0.582,  -0.345,   0.766)  ( 0.05,  0.05,  0.17)
171:     torsion ( -1.138,  -1.119,   0.554)  ( -1.138,  -1.119,   0.554)  ( 0.01,  0.01,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.230,   1.391,  -0.524)  ( -0.230,   1.391,  -0.524)  ( 0.00,  0.00,  0.00)
171:     electro (  0.117,   0.110,   0.090)  (  0.117,   0.110,   0.090)  ( 0.00,  0.00,  0.00)
171: 61       ( -6.760,  -9.653,  62.290)  ( -6.757,  -9.649,  62.303)  ( 0.04,  0.04,  0.02)
171:     bond    ( -5.707, -18.261,  60.173)  ( -5.707, -18.260,  60.185)  ( 0.01,  0.01,  0.02)
171:     angle   ( -2.134,   9.751,   2.757)  ( -2.132,   9.754,   2.757)  ( 0.09,  0.02,  0.01)
171:     torsion (  0.825,  -0.029,   0.070)  (  0.825,  -0.029,   0.070)  ( 0.01,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.163,  -1.019,  -0.626)  (  0.163,  -1.019,  -0.626)  ( 0.00,  0.00,  0.00)
171:     electro (  0.093,  -0.096,  -0.083)  (  0.093,  -0.096,  -0.083)  ( 0.00,  0.00,  0.00)
171: 62       ( 48.800,  36.802,  -0.913)  ( 48.811,  36.808,  -0.910)  ( 0.02,  0.02,  0.23)
171:     bond    ( 52.179,  33.691,  -4.765)  ( 52.189,  33.695,  -4.765)  ( 0.02,  0.01,  0.01)
171:     angle   ( -2.735,   5.228,   7.025)  ( -2.734,   5.229,   7.028)  ( 0.02,  0.03,  0.03)
171:     torsion ( -0.332,   0.433,  -0.571)  ( -0.332,   0.433,  -0.571)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.358,  -2.314,  -2.542)  ( -0.358,  -2.314,  -2.542)  ( 0.00,  0.00,  0.00)
171:     electro (  0.045,  -0.235,  -0.060)  (  0.045,  -0.235,  -0.060)  ( 0.00,  0.00,  0.00)
171: 63       (-44.626,  39.990,  -8.474)  (-44.617,  39.997,  -8.471)  ( 0.02,  0.02,  0.04)
171:     bond    (-46.989,  36.366, -12.293)  (-46.980,  36.371, -12.293)  ( 0.02,  0.01,  0.01)
171:     angle   (  1.890,   6.515,  12.055)  (  1.890,   6.517,  12.057)  ( 0.04,  0.02,  0.02)
171:     torsion ( -0.548,  -0.498,   0.621)  ( -0.548,  -0.498,   0.621)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  0.844,  -2.227,  -8.803)  (  0.844,  -2.227,  -8.803)  ( 0.00,  0.00,  0.00)
171:     electro (  0.176,  -0.165,  -0.054)  (  0.176,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
171: ok 36 # gradients 
171: ok 37 # energy 
171: 
171: V A L I D A T E   G R A D I E N T S
171: 
171: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
171: ----------------------------------------------------------------------------------------
171:  1       (217.044, -41.967,   0.965)  (217.081, -41.921,   0.968)  ( 0.02,  0.11,  0.32)
171:     bond    ( 98.283, -136.446,   0.429)  ( 98.310, -136.411,   0.430)  ( 0.03,  0.03,  0.03)
171:     angle   (108.109,  94.020,  -0.224)  (108.119,  94.030,  -0.224)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.000,   0.002,   0.769)  ( -0.000,   0.002,   0.772)  ( 0.00,  0.00,  0.21)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (  6.972,   1.025,  -0.006)  (  6.972,   1.026,  -0.006)  ( 0.00,  0.02,  0.00)
171:     electro (  3.680,  -0.569,  -0.004)  (  3.680,  -0.569,  -0.004)  ( 0.00,  0.00,  0.00)
171:  2       (-47.166, -62.201,   0.047)  (-47.133, -62.163,   0.053)  ( 0.07,  0.06,  0.03)
171:     bond    (  2.183, -37.674,  -0.047)  (  2.207, -37.646,  -0.047)  ( 1.12,  0.07,  0.00)
171:     angle   (-48.885, -24.699,   0.210)  (-48.876, -24.689,   0.211)  ( 0.02,  0.04,  0.03)
171:     torsion ( -0.000,  -0.001,  -0.116)  ( -0.000,  -0.001,  -0.111)  ( 0.00,  0.00,  0.06)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.464,   0.172,  -0.000)  ( -0.464,   0.172,  -0.000)  ( 0.00,  0.00,  0.00)
171:  3       ( -0.007,  -0.199,  -0.169)  (  0.025,  -0.163,  -0.163)  ( 0.02,  0.71,  0.09)
171:     bond    ( -8.735,  15.518,   0.028)  ( -8.712,  15.547,   0.027)  ( 0.27,  0.18,  0.00)
171:     angle   ( 32.220, -21.912,  -0.057)  ( 32.229, -21.905,  -0.057)  ( 0.03,  0.03,  0.00)
171:     torsion ( -0.000,   0.000,  -0.167)  ( -0.000,   0.000,  -0.162)  ( 0.00,  0.00,  0.10)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-21.286,   6.216,   0.027)  (-21.286,   6.216,   0.027)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.206,  -0.021,   0.001)  ( -2.206,  -0.021,   0.001)  ( 0.00,  0.00,  0.00)
171:  4       ( 48.113,  21.924,  -0.078)  ( 48.140,  21.952,  -0.052)  ( 0.06,  0.12,  0.21)
171:     bond    (  5.579,   9.409,  -0.160)  (  5.598,   9.427,  -0.141)  ( 0.34,  0.20,  0.30)
171:     angle   ( 55.601,  17.739,  -0.020)  ( 55.610,  17.748,  -0.014)  ( 0.02,  0.05,  0.01)
171:     torsion (  0.000,  -0.000,   0.125)  (  0.000,  -0.000,   0.125)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-12.294,  -5.214,  -0.022)  (-12.294,  -5.214,  -0.022)  ( 0.00,  0.00,  0.00)
171:     electro ( -0.773,  -0.009,  -0.001)  ( -0.773,  -0.009,  -0.001)  ( 0.00,  0.00,  0.00)
171:  5       ( 32.755, -22.139,  -0.348)  ( 32.766, -22.118,  -0.348)  ( 0.03,  0.10,  0.02)
171:     bond    ( -4.057,  -6.858,  -0.005)  ( -4.050,  -6.838,  -0.005)  ( 0.17,  0.29,  0.00)
171:     angle   ( -2.186,   1.292,  -0.127)  ( -2.183,   1.293,  -0.127)  ( 0.14,  0.08,  0.00)
171:     torsion (  0.001,  -0.000,  -0.181)  (  0.001,  -0.000,  -0.180)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 38.247,  -9.107,  -0.046)  ( 38.248,  -9.107,  -0.046)  ( 0.00,  0.00,  0.00)
171:     electro (  0.751,  -7.466,   0.010)  (  0.751,  -7.466,   0.010)  ( 0.00,  0.00,  0.00)
171:  6       (-165.539,  22.277,  -0.538)  (-165.515,  22.298,  -0.537)  ( 0.01,  0.09,  0.04)
171:     bond    (-102.426, 142.178,  -0.414)  (-102.405, 142.193,  -0.414)  ( 0.02,  0.01,  0.02)
171:     angle   (-102.464, -133.859,   0.470)  (-102.461, -133.854,   0.469)  ( 0.00,  0.00,  0.05)
171:     torsion ( -0.000,  -0.002,  -0.668)  ( -0.000,  -0.002,  -0.667)  ( 0.00,  0.00,  0.08)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( 44.794,  13.953,   0.080)  ( 44.796,  13.953,   0.080)  ( 0.00,  0.00,  0.00)
171:     electro ( -5.443,   0.007,  -0.005)  ( -5.443,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
171:  7       (-20.820,  26.022,   0.060)  (-20.805,  26.025,   0.061)  ( 0.07,  0.01,  0.01)
171:     bond    (-20.292,   0.224,   0.019)  (-20.278,   0.223,   0.019)  ( 0.07,  0.00,  0.00)
171:     angle   (  0.222,  20.146,   0.024)  (  0.222,  20.149,   0.024)  ( 0.00,  0.02,  0.00)
171:     torsion (  0.000,  -0.000,   0.009)  (  0.000,  -0.000,   0.010)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -1.726,   5.394,   0.008)  ( -1.726,   5.394,   0.008)  ( 0.00,  0.00,  0.00)
171:     electro (  0.976,   0.259,   0.001)  (  0.976,   0.259,   0.001)  ( 0.00,  0.00,  0.00)
171:  8       (-23.697,  38.579,   0.065)  (-23.690,  38.590,   0.066)  ( 0.03,  0.03,  0.01)
171:     bond    ( 10.313,  17.407,   0.011)  ( 10.317,  17.417,   0.011)  ( 0.04,  0.06,  0.00)
171:     angle   (-17.330,  10.263,   0.028)  (-17.328,  10.264,   0.028)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.000,   0.000,  -0.005)  ( -0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-19.009,  11.655,   0.032)  (-19.008,  11.656,   0.032)  ( 0.00,  0.00,  0.00)
171:     electro (  2.329,  -0.747,  -0.001)  (  2.329,  -0.747,  -0.001)  ( 0.00,  0.00,  0.00)
171:  9       (-41.100, -31.821,  -0.090)  (-41.092, -31.812,  -0.088)  ( 0.02,  0.03,  0.02)
171:     bond    (  3.583,  -4.301,  -0.008)  (  3.589,  -4.293,  -0.008)  ( 0.16,  0.19,  0.00)
171:     angle   (-11.835,  -9.893,  -0.020)  (-11.834,  -9.892,  -0.018)  ( 0.01,  0.01,  0.00)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     (-34.686, -18.266,  -0.067)  (-34.685, -18.266,  -0.067)  ( 0.00,  0.00,  0.00)
171:     electro (  1.838,   0.640,   0.005)  (  1.838,   0.640,   0.005)  ( 0.00,  0.00,  0.00)
171: 10       ( -8.246, -17.014,   1.017)  ( -8.240, -17.012,   1.027)  ( 0.07,  0.01,  0.99)
171:     bond    ( -3.280,  -0.271,   4.647)  ( -3.275,  -0.271,   4.656)  ( 0.14,  0.00,  0.20)
171:     angle   ( -5.220, -13.791,  -4.475)  ( -5.218, -13.789,  -4.474)  ( 0.03,  0.02,  0.02)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.507,  -2.830,   0.968)  ( -0.507,  -2.830,   0.968)  ( 0.00,  0.00,  0.00)
171:     electro (  0.762,  -0.121,  -0.123)  (  0.762,  -0.121,  -0.123)  ( 0.00,  0.00,  0.00)
171: 11       ( -8.139, -17.024,  -0.916)  ( -8.133, -17.022,  -0.906)  ( 0.08,  0.01,  0.92)
171:     bond    ( -3.185,  -0.252,  -4.513)  ( -3.180,  -0.252,  -4.504)  ( 0.15,  0.00,  0.21)
171:     angle   ( -5.204, -13.823,   4.447)  ( -5.203, -13.821,   4.447)  ( 0.03,  0.02,  0.02)
171:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.510,  -2.828,  -0.973)  ( -0.510,  -2.827,  -0.973)  ( 0.00,  0.00,  0.00)
171:     electro (  0.759,  -0.122,   0.123)  (  0.759,  -0.122,   0.123)  ( 0.00,  0.00,  0.00)
171: 12       ( 16.579,  83.343,  -0.081)  ( 16.595,  83.346,  -0.081)  ( 0.09,  0.00,  0.00)
171:     bond    ( 21.865,   0.904,  -0.025)  ( 21.880,   0.904,  -0.025)  ( 0.07,  0.01,  0.00)
171:     angle   ( -3.076,  74.463,  -0.266)  ( -3.076,  74.465,  -0.267)  ( 0.00,  0.00,  0.01)
171:     torsion (  0.000,   0.001,   0.216)  (  0.000,   0.001,   0.216)  ( 0.00,  0.00,  0.01)
171:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
171:     electro ( -2.210,   7.976,  -0.006)  ( -2.210,   7.976,  -0.006)  ( 0.00,  0.00,  0.00)
171: ok 38 # gradients 
171: 1..38
172:     torsion ( -0.013,   0.501,  -2.331)  ( -0.013,   0.501,  -2.328)  ( 0.00,  0.01,  0.13)
172:     vdw     ( -4.596,  -4.209,  -1.153)  ( -4.596,  -4.209,  -1.153)  ( 0.00,  0.00,  0.00)
172:     electro ( -1.154,   1.614,   0.942)  ( -1.154,   1.614,   0.942)  ( 0.00,  0.00,  0.00)
172: 13       (103.292, -167.482, -50.570)  (103.394, -167.413, -50.562)  ( 0.10,  0.04,  0.02)
172:     bond    (101.082, -18.155,  -7.464)  (101.171, -18.100,  -7.460)  ( 0.09,  0.30,  0.06)
172:     angle   ( 10.732, -148.703, -38.696)  ( 10.745, -148.689, -38.695)  ( 0.12,  0.01,  0.00)
172:     torsion ( -0.027,   0.546,  -2.011)  ( -0.027,   0.546,  -2.008)  ( 0.00,  0.01,  0.15)
172:     vdw     ( -8.577,  -1.464,  -3.092)  ( -8.577,  -1.463,  -3.092)  ( 0.00,  0.02,  0.00)
172:     electro (  0.082,   0.294,   0.693)  (  0.082,   0.294,   0.693)  ( 0.00,  0.00,  0.00)
172: 14       (-340.783, 244.004, 103.856)  (-340.702, 244.105, 103.865)  ( 0.02,  0.04,  0.01)
172:     bond    (-242.685, 169.679,  51.566)  (-242.620, 169.756,  51.571)  ( 0.03,  0.05,  0.01)
172:     angle   (-90.118,  80.283,  38.870)  (-90.102,  80.306,  38.871)  ( 0.02,  0.03,  0.00)
172:     torsion (  0.878,  -3.052,  21.109)  (  0.878,  -3.052,  21.112)  ( 0.00,  0.01,  0.02)
172:     vdw     ( -8.858,  -2.905,  -7.690)  ( -8.858,  -2.905,  -7.689)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 15       (-73.315, -132.854, -48.254)  (-73.221, -132.766, -48.244)  ( 0.13,  0.07,  0.02)
172:     bond    (-57.772, -173.544, -48.927)  (-57.694, -173.468, -48.921)  ( 0.14,  0.04,  0.01)
172:     angle   (-12.260,  33.289,  10.647)  (-12.246,  33.300,  10.648)  ( 0.12,  0.03,  0.01)
172:     torsion ( -0.061,   1.973,  -7.707)  ( -0.061,   1.974,  -7.705)  ( 0.00,  0.01,  0.04)
172:     vdw     ( -3.222,   5.428,  -2.267)  ( -3.221,   5.428,  -2.267)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 16       ( 35.176,  96.616,  32.145)  ( 35.277,  96.684,  32.153)  ( 0.28,  0.07,  0.03)
172:     bond    (107.267,  64.420,  20.261)  (107.355,  64.475,  20.266)  ( 0.08,  0.09,  0.02)
172:     angle   (-66.999,  27.788,   6.767)  (-66.988,  27.800,   6.768)  ( 0.02,  0.04,  0.01)
172:     torsion (  0.086,  -0.719,   3.121)  (  0.086,  -0.718,   3.124)  ( 0.00,  0.01,  0.10)
172:     vdw     ( -3.557,   6.031,   1.619)  ( -3.557,   6.031,   1.619)  ( 0.00,  0.00,  0.00)
172:     electro ( -1.620,  -0.904,   0.376)  ( -1.620,  -0.904,   0.376)  ( 0.00,  0.00,  0.00)
172: 17       ( 72.990, -38.251, -125.567)  ( 73.023, -38.214, -125.562)  ( 0.05,  0.10,  0.00)
172:     bond    ( 76.533,  48.205,  -2.919)  ( 76.562,  48.230,  -2.920)  ( 0.04,  0.05,  0.01)
172:     angle   ( 44.783,  15.169,  -6.917)  ( 44.787,  15.180,  -6.916)  ( 0.01,  0.07,  0.02)
172:     torsion ( -4.190,  -0.869, -11.772)  ( -4.190,  -0.869, -11.770)  ( 0.00,  0.01,  0.02)
172:     vdw     (-44.136, -100.757, -103.958)  (-44.136, -100.754, -103.956)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 18       (119.639, -56.704, -193.548)  (119.684, -56.658, -193.499)  ( 0.04,  0.08,  0.03)
172:     bond    ( 90.494, -62.887, -134.670)  ( 90.528, -62.851, -134.631)  ( 0.04,  0.06,  0.03)
172:     angle   (  7.958,   4.349, -58.658)  (  7.967,   4.359, -58.648)  ( 0.11,  0.23,  0.02)
172:     torsion (  6.994,   0.785,  -1.421)  (  6.994,   0.785,  -1.420)  ( 0.01,  0.02,  0.05)
172:     vdw     ( 14.194,   1.049,   1.201)  ( 14.194,   1.049,   1.201)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 19       (-28.867, -137.080, 213.252)  (-28.819, -137.032, 213.302)  ( 0.17,  0.04,  0.02)
172:     bond    ( -2.959, -76.425, 133.671)  ( -2.923, -76.388, 133.709)  ( 1.23,  0.05,  0.03)
172:     angle   (-21.380, -58.465,  80.090)  (-21.369, -58.454,  80.102)  ( 0.05,  0.02,  0.02)
172:     torsion ( -6.308,  -1.853,  -1.783)  ( -6.308,  -1.852,  -1.783)  ( 0.01,  0.02,  0.01)
172:     vdw     (  1.781,  -0.337,   1.274)  (  1.781,  -0.337,   1.274)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 20       (207.909, -466.263,  79.993)  (207.985, -466.174,  80.005)  ( 0.04,  0.02,  0.01)
172:     bond    (182.230, -600.186,  98.639)  (182.294, -600.111,  98.647)  ( 0.04,  0.01,  0.01)
172:     angle   ( 30.140, 138.056, -17.107)  ( 30.152, 138.069, -17.105)  ( 0.04,  0.01,  0.01)
172:     torsion ( -1.300,   0.946,   0.552)  ( -1.300,   0.946,   0.554)  ( 0.03,  0.01,  0.12)
172:     vdw     ( -3.161,  -5.079,  -2.091)  ( -3.161,  -5.079,  -2.091)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 21       (264.766, 1019.746,  41.828)  (264.807, 1019.826,  41.835)  ( 0.02,  0.01,  0.02)
172:     bond    (243.258, 971.230,  40.076)  (243.286, 971.307,  40.079)  ( 0.01,  0.01,  0.01)
172:     angle   ( 14.169,  42.623,   0.148)  ( 14.181,  42.625,   0.150)  ( 0.08,  0.01,  0.03)
172:     torsion ( -1.329,   0.222,   3.722)  ( -1.329,   0.222,   3.723)  ( 0.02,  0.00,  0.04)
172:     vdw     (  8.669,   5.671,  -2.118)  (  8.669,   5.671,  -2.118)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 22       (-402.004, -170.741, -141.440)  (-401.917, -170.640, -141.423)  ( 0.02,  0.06,  0.01)
172:     bond    (-503.192, -178.190, -182.315)  (-503.117, -178.102, -182.302)  ( 0.02,  0.05,  0.01)
172:     angle   (102.277,   0.774,  39.469)  (102.288,   0.786,  39.470)  ( 0.01,  0.93,  0.00)
172:     torsion ( -0.534,   0.081,   1.258)  ( -0.533,   0.081,   1.261)  ( 0.02,  0.00,  0.24)
172:     vdw     ( -0.555,   6.594,   0.148)  ( -0.555,   6.594,   0.148)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 23       (265.191, -645.691, 142.343)  (265.272, -645.583, 142.360)  ( 0.03,  0.02,  0.01)
172:     bond    (398.592, -719.663, 195.944)  (398.659, -719.565, 195.956)  ( 0.02,  0.01,  0.01)
172:     angle   (-135.752,  68.646, -51.584)  (-135.740,  68.656, -51.583)  ( 0.01,  0.01,  0.00)
172:     torsion (  0.753,  -0.118,  -2.003)  (  0.754,  -0.118,  -2.000)  ( 0.04,  0.00,  0.18)
172:     vdw     (  1.598,   5.444,  -0.014)  (  1.598,   5.444,  -0.014)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 24       (-80.570, 704.233, -74.510)  (-80.507, 704.325, -74.494)  ( 0.08,  0.01,  0.02)
172:     bond    ( 93.805, 555.868,   4.190)  ( 93.859, 555.946,   4.203)  ( 0.06,  0.01,  0.31)
172:     angle   (-173.921, 150.290, -79.824)  (-173.912, 150.303, -79.823)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.452,   0.056,   1.226)  ( -0.452,   0.056,   1.228)  ( 0.02,  0.00,  0.21)
172:     vdw     ( -0.003,  -1.981,  -0.103)  ( -0.003,  -1.981,  -0.103)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 25       (138.634, -255.892,  72.775)  (138.719, -255.822,  72.790)  ( 0.06,  0.03,  0.02)
172:     bond    ( 78.315, 129.261,  21.824)  ( 78.391, 129.313,  21.836)  ( 0.10,  0.04,  0.06)
172:     angle   ( 56.522, -381.810,  49.106)  ( 56.530, -381.791,  49.107)  ( 0.01,  0.00,  0.00)
172:     torsion (  0.678,   0.012,  -1.874)  (  0.679,   0.012,  -1.871)  ( 0.03,  0.00,  0.13)
172:     vdw     (  2.878,  -4.540,   3.180)  (  2.878,  -4.540,   3.180)  ( 0.00,  0.01,  0.00)
172:     electro (  0.241,   1.185,   0.538)  (  0.241,   1.185,   0.538)  ( 0.00,  0.00,  0.00)
172: 26       (-136.091, -340.547, -47.481)  (-136.024, -340.460, -47.468)  ( 0.05,  0.03,  0.03)
172:     bond    (-101.762, -361.165,  -9.618)  (-101.706, -361.091,  -9.610)  ( 0.06,  0.02,  0.08)
172:     angle   (-38.960,  23.208, -34.425)  (-38.950,  23.221, -34.422)  ( 0.03,  0.06,  0.01)
172:     torsion (  3.895,  -1.182, -10.458)  (  3.895,  -1.182, -10.457)  ( 0.01,  0.01,  0.02)
172:     vdw     (  0.737,  -1.408,   7.021)  (  0.737,  -1.408,   7.021)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 27       (392.416, -128.937, 160.507)  (392.479, -128.885, 160.518)  ( 0.02,  0.04,  0.01)
172:     bond    (379.882, -144.919, 155.173)  (379.943, -144.876, 155.182)  ( 0.02,  0.03,  0.01)
172:     angle   ( 14.261,  17.407,   2.817)  ( 14.264,  17.416,   2.818)  ( 0.02,  0.05,  0.04)
172:     torsion ( -1.305,   0.304,   3.355)  ( -1.305,   0.304,   3.356)  ( 0.01,  0.00,  0.02)
172:     vdw     ( -0.422,  -1.729,  -0.838)  ( -0.422,  -1.729,  -0.838)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 28       (1315.146, -74.669, 493.336)  (1315.206, -74.577, 493.354)  ( 0.00,  0.12,  0.00)
172:     bond    (1185.804,  92.689, 432.055)  (1185.856,  92.772, 432.069)  ( 0.00,  0.09,  0.00)
172:     angle   (130.865, -167.104,  60.684)  (130.874, -167.094,  60.687)  ( 0.01,  0.01,  0.00)
172:     torsion ( -0.460,   0.082,   1.241)  ( -0.460,   0.082,   1.242)  ( 0.01,  0.00,  0.11)
172:     vdw     ( -1.064,  -0.337,  -0.644)  ( -1.064,  -0.337,  -0.644)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 29       (-407.489, 229.581, -174.705)  (-407.472, 229.589, -174.700)  ( 0.00,  0.00,  0.00)
172:     bond    (-428.438, 181.023, -179.396)  (-428.422, 181.028, -179.392)  ( 0.00,  0.00,  0.00)
172:     angle   ( 18.109,  47.213,   4.397)  ( 18.110,  47.216,   4.397)  ( 0.00,  0.01,  0.00)
172:     torsion (  0.211,  -0.029,  -0.534)  (  0.211,  -0.029,  -0.534)  ( 0.00,  0.00,  0.03)
172:     vdw     (  2.629,   1.375,   0.829)  (  2.629,   1.375,   0.829)  ( 0.00,  0.01,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 30       (-1375.520,  93.450, -519.145)  (-1375.476,  93.506, -519.093)  ( 0.00,  0.06,  0.01)
172:     bond    (-1368.931,   2.598, -509.342)  (-1368.899,   2.640, -509.300)  ( 0.00,  1.63,  0.01)
172:     angle   ( -6.421,  89.619,  -9.663)  ( -6.410,  89.632,  -9.653)  ( 0.18,  0.01,  0.11)
172:     torsion ( -0.024,   0.004,   0.064)  ( -0.024,   0.004,   0.065)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.144,   1.230,  -0.204)  ( -0.144,   1.230,  -0.204)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 31       (-252.383,  68.712,  72.986)  (-252.334,  68.760,  73.032)  ( 0.02,  0.07,  0.06)
172:     bond    (-183.680, 108.332,  28.850)  (-183.643, 108.368,  28.887)  ( 0.02,  0.03,  0.13)
172:     angle   (-67.485, -40.784,  37.274)  (-67.473, -40.773,  37.283)  ( 0.02,  0.03,  0.02)
172:     torsion ( -1.634,   0.633,   4.614)  ( -1.633,   0.633,   4.614)  ( 0.03,  0.02,  0.01)
172:     vdw     (  0.416,   0.531,   2.248)  (  0.416,   0.531,   2.248)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 32       ( 26.424, 201.539, -65.524)  ( 26.469, 201.589, -65.476)  ( 0.17,  0.02,  0.07)
172:     bond    ( 10.558, 131.097, -37.808)  ( 10.594, 131.133, -37.771)  ( 0.34,  0.03,  0.10)
172:     angle   ( 15.093,  68.172, -27.150)  ( 15.102,  68.185, -27.140)  ( 0.06,  0.02,  0.04)
172:     torsion (  0.521,   3.013,  -1.060)  (  0.521,   3.013,  -1.060)  ( 0.03,  0.02,  0.02)
172:     vdw     (  0.252,  -0.742,   0.494)  (  0.252,  -0.742,   0.494)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 33       (  5.447, -166.720, -114.957)  (  5.495, -166.670, -114.908)  ( 0.89,  0.03,  0.04)
172:     bond    (  0.388, -85.303, -71.338)  (  0.425, -85.265, -71.301)  ( 1.43,  0.04,  0.05)
172:     angle   (  3.800, -80.567, -42.048)  (  3.811, -80.555, -42.036)  ( 0.29,  0.02,  0.03)
172:     torsion (  0.744,  -0.036,   0.075)  (  0.745,  -0.036,   0.076)  ( 0.04,  0.00,  0.00)
172:     vdw     (  0.514,  -0.814,  -1.646)  (  0.514,  -0.814,  -1.646)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 34       ( 39.872, -79.602, -11.314)  ( 39.879, -79.577, -11.310)  ( 0.02,  0.03,  0.04)
172:     bond    ( 31.505, -86.048,   4.238)  ( 31.508, -86.023,   4.238)  ( 0.01,  0.03,  0.01)
172:     angle   ( 12.846,   3.739, -19.615)  ( 12.848,   3.740, -19.612)  ( 0.02,  0.01,  0.02)
172:     torsion (  2.043,   0.649,  -2.011)  (  2.043,   0.649,  -2.011)  ( 0.00,  0.00,  0.01)
172:     vdw     ( -6.521,   2.057,   6.075)  ( -6.521,   2.057,   6.075)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 35       ( 36.284,  22.966, -82.660)  ( 36.289,  22.973, -82.636)  ( 0.01,  0.03,  0.03)
172:     bond    ( 21.884,  34.000, -84.579)  ( 21.886,  34.004, -84.556)  ( 0.01,  0.01,  0.03)
172:     angle   ( 18.455, -11.667,   0.087)  ( 18.458, -11.664,   0.087)  ( 0.01,  0.03,  0.00)
172:     torsion ( -0.871,   0.454,  -0.043)  ( -0.871,   0.454,  -0.043)  ( 0.01,  0.01,  0.00)
172:     vdw     ( -3.185,   0.179,   1.876)  ( -3.184,   0.179,   1.876)  ( 0.01,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 36       ( 88.882,  10.987, -11.983)  ( 88.909,  10.992, -11.979)  ( 0.03,  0.04,  0.03)
172:     bond    ( 91.385,  -5.329, -13.368)  ( 91.412,  -5.328, -13.367)  ( 0.03,  0.01,  0.01)
172:     angle   ( -0.040,  18.084,  -7.489)  ( -0.040,  18.088,  -7.487)  ( 0.00,  0.02,  0.04)
172:     torsion (  0.028,  -1.127,   0.641)  (  0.028,  -1.127,   0.641)  ( 0.00,  0.01,  0.00)
172:     vdw     ( -2.490,  -0.640,   8.233)  ( -2.490,  -0.640,   8.234)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 37       ( -4.098,  87.111, -10.557)  ( -4.092,  87.137, -10.553)  ( 0.14,  0.03,  0.04)
172:     bond    (-24.076,  86.846, -10.570)  (-24.074,  86.872, -10.569)  ( 0.01,  0.03,  0.01)
172:     angle   ( 21.480,   4.731, -10.050)  ( 21.483,   4.731, -10.048)  ( 0.02,  0.00,  0.03)
172:     torsion (  2.789,   0.583,  -1.558)  (  2.789,   0.583,  -1.558)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -4.290,  -5.049,  11.622)  ( -4.290,  -5.049,  11.622)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 38       (-23.572, -16.685,  85.626)  (-23.567, -16.678,  85.650)  ( 0.02,  0.04,  0.03)
172:     bond    (-20.719, -32.829,  83.983)  (-20.718, -32.825,  84.006)  ( 0.01,  0.01,  0.03)
172:     angle   (-11.944,  14.964,   2.903)  (-11.941,  14.967,   2.904)  ( 0.02,  0.02,  0.02)
172:     torsion (  0.733,  -0.743,  -0.110)  (  0.733,  -0.743,  -0.110)  ( 0.01,  0.01,  0.00)
172:     vdw     (  8.358,   1.923,  -1.150)  (  8.359,   1.923,  -1.150)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 39       (-33.595,  79.887,  14.514)  (-33.588,  79.911,  14.518)  ( 0.02,  0.03,  0.03)
172:     bond    (-31.431,  85.012,  -4.595)  (-31.427,  85.037,  -4.594)  ( 0.01,  0.03,  0.01)
172:     angle   (-13.511,  -3.912,  19.998)  (-13.508,  -3.912,  20.001)  ( 0.02,  0.01,  0.02)
172:     torsion ( -1.754,  -0.523,   2.320)  ( -1.754,  -0.523,   2.321)  ( 0.00,  0.00,  0.01)
172:     vdw     ( 13.101,  -0.691,  -3.210)  ( 13.101,  -0.691,  -3.210)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 40       (-89.565, -10.449,  25.871)  (-89.538, -10.445,  25.875)  ( 0.03,  0.04,  0.02)
172:     bond    (-93.440,   4.720,  14.652)  (-93.413,   4.721,  14.653)  ( 0.03,  0.01,  0.01)
172:     angle   (  1.162, -17.513,  13.046)  (  1.162, -17.510,  13.049)  ( 0.01,  0.02,  0.02)
172:     torsion ( -0.082,   0.250,  -0.606)  ( -0.082,   0.250,  -0.606)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.795,   2.094,  -1.222)  (  2.795,   2.094,  -1.222)  ( 0.00,  0.00,  0.02)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 41       (  8.560, -87.495,  19.317)  (  8.566, -87.469,  19.321)  ( 0.07,  0.03,  0.02)
172:     bond    ( 25.302, -87.579,  10.941)  ( 25.304, -87.554,  10.942)  ( 0.01,  0.03,  0.01)
172:     angle   (-20.325,  -4.214,  13.279)  (-20.322,  -4.213,  13.282)  ( 0.02,  0.01,  0.02)
172:     torsion ( -1.939,  -0.352,   1.667)  ( -1.939,  -0.352,   1.667)  ( 0.01,  0.00,  0.00)
172:     vdw     (  5.522,   4.650,  -6.571)  (  5.523,   4.650,  -6.570)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 42       (-13.989,  74.223,   4.958)  (-13.983,  74.249,   4.962)  ( 0.04,  0.03,  0.08)
172:     bond    (-21.453,  74.914,  -3.292)  (-21.450,  74.940,  -3.291)  ( 0.01,  0.03,  0.01)
172:     angle   ( 14.946,   5.094,  18.557)  ( 14.949,   5.094,  18.561)  ( 0.02,  0.00,  0.02)
172:     torsion ( -0.016,  -0.004,   0.014)  ( -0.016,  -0.004,   0.014)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -7.466,  -5.781, -10.321)  ( -7.466,  -5.781, -10.321)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 43       ( 78.263,  -2.252,   8.047)  ( 78.290,  -2.248,   8.051)  ( 0.03,  0.18,  0.06)
172:     bond    ( 77.211,  -4.184,  -9.515)  ( 77.238,  -4.183,  -9.514)  ( 0.04,  0.01,  0.01)
172:     angle   (  3.619,   3.438,  27.860)  (  3.619,   3.442,  27.863)  ( 0.00,  0.11,  0.01)
172:     torsion (  0.007,  -0.165,   0.126)  (  0.007,  -0.165,   0.126)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.573,  -1.341, -10.424)  ( -2.573,  -1.341, -10.424)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 44       (  0.559, -21.658,  75.747)  (  0.565, -21.651,  75.771)  ( 0.29,  0.03,  0.03)
172:     bond    (-15.723, -27.268,  71.326)  (-15.722, -27.264,  71.349)  ( 0.01,  0.01,  0.03)
172:     angle   ( 25.339,   8.729,   8.920)  ( 25.342,   8.732,   8.921)  ( 0.01,  0.04,  0.01)
172:     torsion (  0.198,  -0.151,  -0.014)  (  0.198,  -0.151,  -0.014)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -9.254,  -2.968,  -4.484)  ( -9.254,  -2.968,  -4.484)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 45       ( 64.163,  80.826,  16.856)  ( 64.181,  80.843,  16.858)  ( 0.03,  0.02,  0.01)
172:     bond    ( 74.615,  74.402,  16.715)  ( 74.629,  74.416,  16.717)  ( 0.02,  0.02,  0.01)
172:     angle   ( -6.637,   6.301,   1.557)  ( -6.635,   6.304,   1.557)  ( 0.04,  0.04,  0.01)
172:     torsion ( -0.008,   0.091,  -0.372)  ( -0.008,   0.091,  -0.371)  ( 0.00,  0.00,  0.03)
172:     vdw     ( -2.955,   0.013,  -0.139)  ( -2.954,   0.013,  -0.139)  ( 0.01,  0.00,  0.00)
172:     electro ( -0.852,   0.018,  -0.906)  ( -0.852,   0.018,  -0.906)  ( 0.00,  0.00,  0.00)
172: 46       (-16.253, 103.541,  27.783)  (-16.245, 103.567,  27.786)  ( 0.05,  0.03,  0.01)
172:     bond    (-17.811,  88.988,  23.233)  (-17.810,  89.014,  23.235)  ( 0.01,  0.03,  0.01)
172:     angle   ( 54.867,  10.478,   1.919)  ( 54.872,  10.478,   1.919)  ( 0.01,  0.00,  0.00)
172:     torsion (  0.012,  -0.370,   1.425)  (  0.012,  -0.370,   1.425)  ( 0.00,  0.00,  0.05)
172:     vdw     (-53.523,   4.113,   1.555)  (-53.521,   4.113,   1.555)  ( 0.00,  0.00,  0.01)
172:     electro (  0.202,   0.332,  -0.349)  (  0.202,   0.332,  -0.349)  ( 0.00,  0.00,  0.00)
172: 47       ( 46.686, -89.427, -26.362)  ( 46.694, -89.402, -26.359)  ( 0.02,  0.03,  0.01)
172:     bond    ( 27.135, -94.224, -26.191)  ( 27.138, -94.199, -26.189)  ( 0.01,  0.03,  0.01)
172:     angle   ( 23.097,   6.332,   1.160)  ( 23.102,   6.333,   1.160)  ( 0.02,  0.01,  0.01)
172:     torsion ( -0.042,   0.706,  -2.585)  ( -0.042,   0.706,  -2.584)  ( 0.00,  0.00,  0.03)
172:     vdw     ( -6.905,  -1.903,   1.416)  ( -6.905,  -1.903,   1.416)  ( 0.01,  0.00,  0.00)
172:     electro (  3.401,  -0.339,  -0.162)  (  3.401,  -0.339,  -0.162)  ( 0.00,  0.00,  0.00)
172: 48       (-80.683,  -1.490,  46.931)  (-80.656,  -1.486,  46.937)  ( 0.03,  0.23,  0.01)
172:     bond    (-88.637,  -2.317,  20.880)  (-88.611,  -2.317,  20.882)  ( 0.03,  0.02,  0.01)
172:     angle   (  5.474,  -2.071,  22.996)  (  5.474,  -2.068,  23.000)  ( 0.00,  0.14,  0.01)
172:     torsion (  1.564,   0.257,   6.664)  (  1.564,   0.257,   6.664)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.917,   2.642,  -3.609)  (  0.917,   2.642,  -3.609)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 49       ( 27.346,  12.069,  61.421)  ( 27.357,  12.077,  61.439)  ( 0.04,  0.07,  0.03)
172:     bond    ( 27.464,  27.278,  46.599)  ( 27.470,  27.284,  46.615)  ( 0.02,  0.02,  0.04)
172:     angle   (-45.485,  -9.884,  32.585)  (-45.483,  -9.881,  32.586)  ( 0.01,  0.02,  0.00)
172:     torsion (  1.360,   1.464,  -1.659)  (  1.361,   1.464,  -1.659)  ( 0.02,  0.00,  0.01)
172:     vdw     ( 44.008,  -6.790, -16.103)  ( 44.009,  -6.790, -16.103)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 50       (-19.918,  78.133, -20.035)  (-19.910,  78.158, -20.031)  ( 0.04,  0.03,  0.02)
172:     bond    (-29.029,  74.253,   5.631)  (-29.025,  74.277,   5.631)  ( 0.01,  0.03,  0.01)
172:     angle   ( 10.553,   6.257, -28.126)  ( 10.556,   6.257, -28.123)  ( 0.03,  0.01,  0.01)
172:     torsion ( -0.656,  -0.240,  -0.212)  ( -0.656,  -0.240,  -0.212)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -0.786,  -2.136,   2.672)  ( -0.786,  -2.136,   2.672)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 51       ( 59.372,  24.629, -42.928)  ( 59.398,  24.633, -42.922)  ( 0.04,  0.02,  0.01)
172:     bond    ( 64.561,   5.165, -19.507)  ( 64.586,   5.165, -19.505)  ( 0.04,  0.01,  0.01)
172:     angle   (-12.918,  24.858, -36.193)  (-12.918,  24.862, -36.190)  ( 0.00,  0.01,  0.01)
172:     torsion (  0.060,   0.650,   0.370)  (  0.060,   0.650,   0.370)  ( 0.00,  0.01,  0.00)
172:     vdw     (  7.669,  -6.044,  12.403)  (  7.669,  -6.044,  12.403)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 52       (-30.314, -16.291, -76.443)  (-30.304, -16.282, -76.426)  ( 0.03,  0.06,  0.02)
172:     bond    (-39.923, -37.279, -58.542)  (-39.916, -37.273, -58.527)  ( 0.02,  0.02,  0.03)
172:     angle   ( 10.108,  21.559, -20.629)  ( 10.111,  21.562, -20.628)  ( 0.03,  0.01,  0.01)
172:     torsion (  0.298,  -0.200,  -0.076)  (  0.298,  -0.200,  -0.076)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -0.797,  -0.372,   2.804)  ( -0.797,  -0.372,   2.804)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 53       ( 94.650,  84.772, 119.505)  ( 94.656,  84.803, 119.509)  ( 0.01,  0.04,  0.00)
172:     bond    (  2.433, -20.470,   2.878)  (  2.434, -20.442,   2.879)  ( 0.01,  0.14,  0.02)
172:     angle   ( 34.810,   5.798,  11.741)  ( 34.814,   5.798,  11.742)  ( 0.01,  0.00,  0.01)
172:     torsion (  1.481,  -0.354,  -3.766)  (  1.481,  -0.354,  -3.765)  ( 0.01,  0.00,  0.01)
172:     vdw     ( 58.022, 100.394, 109.595)  ( 58.023, 100.397, 109.597)  ( 0.00,  0.00,  0.00)
172:     electro ( -2.096,  -0.597,  -0.943)  ( -2.096,  -0.597,  -0.943)  ( 0.00,  0.00,  0.00)
172: 54       (-23.064, -68.758,  -2.726)  (-23.057, -68.733,  -2.722)  ( 0.03,  0.04,  0.16)
172:     bond    (-23.826, -68.424,  -3.381)  (-23.823, -68.399,  -3.381)  ( 0.01,  0.04,  0.01)
172:     angle   ( -0.162,   0.040,   0.306)  ( -0.159,   0.040,   0.310)  ( 0.05,  0.00,  0.12)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  0.924,  -0.373,   0.349)  (  0.924,  -0.373,   0.349)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 55       (-40.151,  26.871,  56.321)  (-40.140,  26.881,  56.334)  ( 0.03,  0.04,  0.02)
172:     bond    (-43.020,  38.071,  45.501)  (-43.010,  38.079,  45.512)  ( 0.02,  0.02,  0.02)
172:     angle   (  0.667, -12.551,  11.129)  (  0.669, -12.548,  11.131)  ( 0.14,  0.02,  0.02)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  2.201,   1.351,  -0.308)  (  2.201,   1.351,  -0.308)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 56       (  7.916,  16.915, -72.081)  (  7.920,  16.924, -72.056)  ( 0.04,  0.05,  0.03)
172:     bond    ( -1.004,  29.140, -67.460)  ( -1.003,  29.145, -67.436)  ( 0.03,  0.02,  0.03)
172:     angle   (  7.515, -13.544,  -5.964)  (  7.518, -13.541,  -5.964)  ( 0.04,  0.02,  0.01)
172:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172:     vdw     (  1.405,   1.320,   1.344)  (  1.405,   1.320,   1.344)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 57       ( 26.171, -61.282, -57.916)  ( 26.175, -61.262, -57.905)  ( 0.02,  0.03,  0.02)
172:     bond    (  4.936, -71.331, -49.618)  (  4.937, -71.313, -49.608)  ( 0.01,  0.03,  0.02)
172:     angle   ( 21.633,  10.213, -12.532)  ( 21.637,  10.214, -12.530)  ( 0.02,  0.01,  0.01)
172:     torsion (  1.202,  -0.052,   0.194)  (  1.202,  -0.052,   0.194)  ( 0.01,  0.00,  0.00)
172:     vdw     ( -1.601,  -0.112,   4.039)  ( -1.601,  -0.112,   4.039)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 58       ( 76.270,  22.941, -23.323)  ( 76.292,  22.950, -23.319)  ( 0.03,  0.04,  0.02)
172:     bond    ( 71.291,  39.669,  -8.011)  ( 71.312,  39.676,  -8.010)  ( 0.03,  0.02,  0.01)
172:     angle   (  7.268, -17.136, -20.161)  (  7.269, -17.134, -20.158)  ( 0.01,  0.01,  0.02)
172:     torsion (  0.113,  -0.215,  -0.061)  (  0.113,  -0.215,  -0.061)  ( 0.00,  0.00,  0.00)
172:     vdw     ( -2.401,   0.624,   4.911)  ( -2.401,   0.624,   4.911)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 59       (-63.192, -63.428,  16.181)  (-63.170, -63.418,  16.184)  ( 0.03,  0.02,  0.02)
172:     bond    (-78.176, -47.083,   7.956)  (-78.155, -47.075,   7.957)  ( 0.03,  0.02,  0.01)
172:     angle   ( 13.238, -20.310,   9.894)  ( 13.239, -20.308,   9.897)  ( 0.01,  0.01,  0.03)
172:     torsion ( -0.006,  -0.084,  -0.554)  ( -0.006,  -0.083,  -0.554)  ( 0.00,  0.00,  0.01)
172:     vdw     (  1.752,   4.048,  -1.116)  (  1.752,   4.048,  -1.116)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 60       ( 51.337, -71.320,  31.040)  ( 51.354, -71.307,  31.045)  ( 0.03,  0.02,  0.02)
172:     bond    ( 69.756, -57.600,  27.076)  ( 69.771, -57.589,  27.078)  ( 0.02,  0.02,  0.01)
172:     angle   (-15.014, -15.981,   4.697)  (-15.013, -15.979,   4.699)  ( 0.01,  0.01,  0.05)
172:     torsion ( -2.419,  -2.372,   1.187)  ( -2.419,  -2.372,   1.187)  ( 0.01,  0.01,  0.01)
172:     vdw     ( -0.986,   4.632,  -1.920)  ( -0.986,   4.633,  -1.920)  ( 0.00,  0.00,  0.01)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 61       ( -9.231,   4.667,  82.357)  ( -9.227,   4.672,  82.383)  ( 0.05,  0.12,  0.03)
172:     bond    ( -7.198, -23.032,  75.880)  ( -7.197, -23.029,  75.906)  ( 0.01,  0.01,  0.03)
172:     angle   ( -4.131,  30.637,   8.904)  ( -4.128,  30.641,   8.905)  ( 0.09,  0.01,  0.00)
172:     torsion (  1.717,  -0.060,   0.145)  (  1.717,  -0.060,   0.145)  ( 0.01,  0.00,  0.00)
172:     vdw     (  0.381,  -2.879,  -2.572)  (  0.381,  -2.879,  -2.572)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 62       ( 55.671,  56.605,  11.335)  ( 55.692,  56.616,  11.339)  ( 0.04,  0.02,  0.04)
172:     bond    ( 65.302,  42.165,  -5.964)  ( 65.321,  42.173,  -5.964)  ( 0.03,  0.02,  0.01)
172:     angle   ( -9.206,  17.304,  21.554)  ( -9.205,  17.306,  21.558)  ( 0.01,  0.01,  0.02)
172:     torsion ( -0.690,   0.900,  -1.189)  ( -0.690,   0.900,  -1.189)  ( 0.00,  0.00,  0.01)
172:     vdw     (  0.266,  -3.764,  -3.067)  (  0.266,  -3.764,  -3.066)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: 63       (-52.640,  58.487,  10.669)  (-52.622,  58.499,  10.674)  ( 0.03,  0.02,  0.05)
172:     bond    (-57.918,  44.816, -15.152)  (-57.901,  44.826, -15.150)  ( 0.03,  0.02,  0.01)
172:     angle   (  6.047,  18.030,  30.234)  (  6.048,  18.032,  30.238)  ( 0.03,  0.01,  0.01)
172:     torsion ( -1.141,  -1.037,   1.293)  ( -1.141,  -1.037,   1.293)  ( 0.00,  0.00,  0.01)
172:     vdw     (  0.372,  -3.322,  -5.707)  (  0.372,  -3.322,  -5.706)  ( 0.00,  0.00,  0.00)
172:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
172: ok 36 # gradients 
172: 1..36
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
173:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
173:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
173:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
173:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
173: ok 22 # gradients 
173: ok 23 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
173:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
173:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
173:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
173:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
173:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
173:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
173:  2       ( -0.091,  -0.060,  -0.056)  ( -0.090,  -0.044,  -0.030)  ( 0.01,  0.09,  0.14)
173:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
173:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
173:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
173:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
173:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
173:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
173:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
173:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
173:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
173:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
173:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
173:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
173:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
173:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
173:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
173:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
173:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
173:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
173:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
173:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
173:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
173:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
173:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
173:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
173:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
173:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
173:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
173:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
173:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
173:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
173:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
173:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
173:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
173:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
173:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
173:  7       (  0.011,   0.004,  -0.004)  (  0.016,   0.016,   0.020)  ( 0.01,  0.00,  0.01)
173:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
173:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
173:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
173:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
173:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
173:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
173:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
173:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
173:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
173:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
173:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
173:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
173:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
173:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
173:  9       (  0.068,   0.165,   0.082)  (  0.096,   0.132,  -0.033)  ( 0.19,  0.54,  0.94)
173:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
173:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
173:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
173:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
173:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
173:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
173: 10       ( -0.080,  -0.040,  -0.026)  ( -0.075,  -0.026,  -0.009)  ( 0.04,  0.06,  0.05)
173:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
173:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
173:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
173:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
173:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
173:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
173: 11       (  0.070,  -0.162,  -0.073)  (  0.027,  -0.066,   0.009)  ( 0.31,  1.57,  0.61)
173:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
173:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
173:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
173:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
173:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
173:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
173:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
173: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
173:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
173:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
173:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
173:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
173:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
173: 13       ( -0.131,   0.117,   0.103)  ( -0.105,   0.076,  -0.037)  ( 0.34,  0.47,  1.45)
173:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
173:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
173:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
173:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
173:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
173:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
173: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
173:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
173:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
173:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
173: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
173:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
173:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
173:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
173:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
173: 16       ( -0.036,   0.120,  -0.185)  (  0.001,   0.011,   0.028)  ( 0.13,  1.30,  3.96)
173:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
173:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
173:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
173:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
173:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
173:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
173: 17       ( -0.042,  -0.053,   0.059)  ( -0.045,  -0.033,   0.101)  ( 0.01,  0.11,  0.25)
173:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
173:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
173:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
173:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
173:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
173:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
173: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
173:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
173:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
173:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
173:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
173: 19       (  0.012,  -0.001,   0.074)  (  0.011,   0.052,   0.016)  ( 0.00,  0.01,  0.42)
173:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
173:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
173:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
173:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
173:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
173:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
173: 20       ( -0.013,  -0.015,   0.097)  (  0.002,   0.007,  -0.001)  ( 0.02,  0.03,  0.95)
173:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
173:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
173:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
173:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
173:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
173:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
173: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
173:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
173:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
173:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
173:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
173:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
173:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
173:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
173:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
173:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
173:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
173:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
173: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
173:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
173:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
173:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
173:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
173:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
173:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
173:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
173:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
173: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
173:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
173:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
173:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
173:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
173:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
173:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
173:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
173:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
173: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
173:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
173:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
173:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
173:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
173:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
173:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
173:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
173:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
173:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
173:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
173:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
173:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
173:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
173:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
173:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
173:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
173: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
173:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
173:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
173:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
173:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
173: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
173:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
173:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
173:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
173:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
173:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
173:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
173: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
173:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
173:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
173:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
173: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
173:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
173:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
173:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
173:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
173:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
173: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
173:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
173:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
173:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
173:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
173:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
173: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
173:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
173:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
173:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
173: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
173:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
173:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
173: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
173:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
173:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
173:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
173:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
173: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
173:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
173:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
173:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
173:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
173: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
173:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
173:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
173:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
173:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
173: ok 24 # gradients 
173: ok 25 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
173:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
173:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
173:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
173:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
173:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
173:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
173:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
173:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
173:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
173:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
173:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
173:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
173:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
173:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
173:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
173:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
173:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
173:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
173:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
173:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
173:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
173:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
173:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
173:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
173:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
173:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
173:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
173:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
173:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
173:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
173:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
173:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
173:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
173:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
173:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
173:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
173:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
173:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
173:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
173:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
173:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
173:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
173:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
173:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
173:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
173:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
173:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
173:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
173:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
173:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
173:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
173:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
173:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
173:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
173:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
173:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
173:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
173:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
173: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
173:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
173:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
173:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
173:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
173:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
173: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
173:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
173:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
173:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
173:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
173:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
173:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
173:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
173:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
173:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
173:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
173:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
173:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
173:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
173:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
173:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
173: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
173:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
173:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
173:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
173: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
173:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
173:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
173:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
173:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
173:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
173: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
173:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
173:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
173:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
173:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
173:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
173:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
173: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
173:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
173:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
173:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
173:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
173:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
173:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
173:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
173: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
173:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
173:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
173:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
173:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
173:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
173:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
173:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
173:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
173:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
173: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
173:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
173:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
173:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
173:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
173:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
173: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
173:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
173:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
173:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
173:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
173:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
173: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
173:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
173:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
173:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
173:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
173:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
173: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
173:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
173:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
173:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
173:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
173:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
173:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
173: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
173:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
173:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
173:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
173:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
173: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
173:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
173:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
173:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
173:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
173: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
173:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
173:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
173:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
173:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
173: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
173:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
173:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
173:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
173:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
173: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
173:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
173:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
173:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
173:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
173: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
173:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
173:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
173:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
173:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
173:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
173: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
173:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
173:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
173:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
173:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
173:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
173: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
173:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
173:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
173:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
173:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
173:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
173: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
173:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
173:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
173:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
173:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
173:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
173:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
173:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
173:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
173:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 26 # gradients 
173: ok 27 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
175:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
175:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
175:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
175:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
175: ok 22 # gradients 
175: ok 23 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
175:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
175:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
175:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
175:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
175:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
175:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.463,   0.409,   1.503)  ( -0.406,   0.355,   1.294)  ( 2.62,  2.22, 13.86)
175:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
175:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
175:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
175:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
175:     oop     ( -0.337,   0.427,   1.409)  ( -0.287,   0.364,   1.198)  ( 1.69,  2.70, 14.97)
175:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
175:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
175:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
175:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
175:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
175:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
175:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
175:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
175:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
175:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
175:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
175:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
175:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
175:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
175:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
175:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
175:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
175:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
175:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
175:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
175:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
175:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
175:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
175:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
175:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
175:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.211,   0.490,   1.592)  ( -0.170,   0.415,   1.339)  ( 0.88,  3.66, 15.89)
175:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
175:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
175:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
175:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.205,   0.452,   1.462)  ( -0.171,   0.371,   1.207)  ( 0.71,  3.68, 17.45)
175:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
175:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
175:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
175:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
175:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
175:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
175:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
175:  9       (  0.946,  -1.368,  -4.548)  (  0.837,  -1.147,  -3.903)  (10.32, 16.19, 14.19)
175:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
175:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
175:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
175:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
175:     oop     (  0.745,  -1.298,  -3.922)  (  0.629,  -1.083,  -3.278)  ( 8.65, 16.58, 16.41)
175:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
175:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.051,  -0.123,  -0.257)  ( -0.046,  -0.109,  -0.239)  ( 0.02,  0.17,  0.44)
175:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
175:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.383,   0.976,   3.097)  ( -0.383,   0.976,   3.098)  ( 0.00,  0.02,  0.04)
175:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
175:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
175:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
175: 11       ( -1.565,   1.497,  -6.484)  ( -1.426,   1.426,  -5.566)  ( 8.90,  4.71, 14.17)
175:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
175:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
175:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
175:     torsion (  0.030,  -0.147,  -1.459)  (  0.030,  -0.146,  -1.458)  ( 0.00,  0.00,  0.07)
175:     oop     ( -1.363,   1.188,  -6.786)  ( -1.230,   1.111,  -5.870)  ( 9.71,  6.48, 13.50)
175:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
175:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
175: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
175:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
175:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
175:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
175:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
175: 13       ( -0.161,   0.206,   0.379)  ( -0.135,   0.166,   0.239)  ( 0.42,  0.83,  5.33)
175:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
175:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
175:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.109,  -0.516,  -1.612)  (  0.109,  -0.516,  -1.611)  ( 0.00,  0.01,  0.06)
175:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
175:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
175:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
175: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
175:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
175:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
175: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
175:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
175:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
175:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
175:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
175: 16       (  0.592,  -6.830,  17.259)  (  0.475,  -6.321,  15.463)  ( 6.92,  7.44, 10.40)
175:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
175:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
175:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
175:     torsion (  2.180,  -3.338,  -2.414)  (  2.180,  -3.338,  -2.413)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.730,  -6.148,  15.666)  (  0.607,  -5.645,  13.868)  ( 8.98,  8.18, 11.48)
175:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
175:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.326,   0.524,   1.534)  ( -0.284,   0.447,   1.326)  ( 1.35,  4.06, 13.53)
175:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
175:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
175:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
175:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.243,   0.495,   1.264)  ( -0.205,   0.412,   1.051)  ( 0.93,  4.15, 16.89)
175:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
175:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
175: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
175:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
175:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
175:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.014,   3.511,  -4.590)  (  0.033,   3.229,  -4.205)  ( 0.06,  8.04,  8.38)
175:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
175:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
175:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
175:     torsion ( -2.284,   2.619,  -3.338)  ( -2.284,   2.619,  -3.338)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.200,   3.236,  -4.287)  ( -0.160,   2.949,  -3.907)  ( 0.82,  8.88,  8.84)
175:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
175:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
175: 20       (  1.087,   1.726,  -6.160)  (  1.026,   1.634,  -5.527)  ( 5.62,  5.35, 10.28)
175:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
175:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
175:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
175:     torsion ( -0.113,   0.216,   3.410)  ( -0.113,   0.216,   3.410)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.933,   1.474,  -5.351)  (  0.867,   1.376,  -4.724)  ( 6.12,  6.66, 11.72)
175:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
175:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
175: 21       (  0.043,   0.049,  -0.100)  (  0.045,   0.051,  -0.100)  ( 0.01,  0.01,  0.01)
175:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
175:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.131,   0.198,   0.029)  (  0.131,   0.198,   0.029)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       ( -0.097,   0.001,  -0.021)  ( -0.097,   0.002,  -0.017)  ( 0.01,  0.00,  0.01)
175:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
175:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
175:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.253,  -0.745,  -0.255)  (  0.253,  -0.745,  -0.255)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
175:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
175:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
175:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
175:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
175:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
175: 24       (  0.041,   0.038,  -0.066)  (  0.041,   0.040,  -0.065)  ( 0.00,  0.01,  0.01)
175:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
175:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
175:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.220,   0.007,  -0.016)  (  0.220,   0.007,  -0.016)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
175:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
175:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
175:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
175:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
175:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.052,  -0.091,  -0.008)  ( -0.051,  -0.090,  -0.005)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
175:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
175:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.517,   0.425,   0.276)  ( -0.517,   0.425,   0.276)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
175:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
175:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
175:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
175:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
175: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
175:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
175:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
175:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
175:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
175:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
175:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
175:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
175:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
175:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
175: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
175:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
175:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
175:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
175:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
175: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
175:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
175:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
175:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
175:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
175:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
175: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
175:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
175:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
175:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
175: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
175:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
175:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
175:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
175:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
175:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
175: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
175:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
175:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
175:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
175:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
175:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
175: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
175:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
175:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
175: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
175:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
175: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
175:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
175:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
175:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
175: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
175:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
175:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
175:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
175:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
175: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
175:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
175:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
175:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
175:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
175: ok 24 # gradients 
175: ok 25 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
175:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
175:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
175:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
175:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
175:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
175:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
175:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
175:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
175:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
175:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
175:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
175:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
175:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
175:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
175:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
175:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
175:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
175:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
175:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
175:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
175:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
175:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
175:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
175:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
175:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
175:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
175:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
175:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
175:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
175:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
175:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
175:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
175:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
175:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
175:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
175:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
175:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
175:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
175:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
175:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
175:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
175:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
175:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
175:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
175:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
175:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
175:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
175: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
175:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
175:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
175:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
175:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
175:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
175: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
175:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
175:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
175:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
175:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
175:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
175:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
175:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
175:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
175:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
175:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
175:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
175:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
175:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
175:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
175:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
175:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
175:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
175:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
175:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
175:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
175:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
175:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
175:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
175:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
175:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
175:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
175:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
175:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
175: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
175:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
175:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
175:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
175:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
175:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
175:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
175:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
175: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
175:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
175:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
175:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
175:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
175:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
175:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
175:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
175:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
175:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
175:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
175:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
175:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
175:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
175:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
175: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
175:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
175:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
175:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
175:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
175:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
175:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
175: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
175:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
175:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
175:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
175:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
175: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
175:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
175:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
175:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
175:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
175:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
175:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
175:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
175:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
175:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
175: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
175:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
175:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
175:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
175: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
175:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
175:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
175:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
175:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
175:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
175:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
175:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
175:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
175:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
175:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
175: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
175:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
175:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
175:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
175:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
175:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
175: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
175:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
175:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
175:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
175:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
175: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
175:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
175:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
175:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
175:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
175:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
175: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
175:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
175:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
175:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
175:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
175:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
175:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
175:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
175:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
175:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 26 # gradients 
175: ok 27 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
177:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
177:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
177:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
177:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
177:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
177:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
177:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
177:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
177:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
177:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
177:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
177:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
177:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
177:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
177:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
177:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
177:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
177:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
177:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
177:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
177:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
177:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
177:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
177:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
177:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
177:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
177:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
177:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
177:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
177:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
177:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
177:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
177:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
177:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
177:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
177:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
177:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
177:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
177:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
177:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
177:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
177:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
177:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
177:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
177:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
177:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 74       (  0.137,   2.170,  -1.424)  (  0.139,   2.171,  -1.421)  ( 0.03,  0.04,  0.25)
177:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
177:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
177:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
177:     electro (  0.020,   0.005,  -0.042)  (  0.020,   0.005,  -0.042)  ( 0.00,  0.00,  0.00)
177: ok 22 # gradients 
177: ok 23 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -0.390,  -0.080,  -0.086)  ( -0.400,  -0.036,  -0.040)  ( 0.41,  0.35,  0.40)
177:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
177:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
177:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
177:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
177:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
177:     electro (  0.067,  -0.005,   0.012)  (  0.067,  -0.005,   0.012)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.546,  -0.957,   0.155)  ( -0.544,  -0.941,   0.181)  ( 0.08,  1.49,  0.40)
177:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
177:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
177:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
177:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
177:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
177:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
177:     electro (  0.151,   0.299,  -0.070)  (  0.151,   0.299,  -0.070)  ( 0.00,  0.00,  0.00)
177:  3       ( -6.918,   4.406,  -3.910)  ( -6.927,   4.418,  -3.755)  ( 0.12,  0.27,  3.97)
177:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
177:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
177:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
177:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
177:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
177:     electro (  2.373,  -1.475,   1.243)  (  2.373,  -1.475,   1.243)  ( 0.00,  0.00,  0.00)
177:  4       (  6.252,  -1.262,   2.485)  (  6.292,  -1.324,   2.319)  ( 0.63,  4.92,  6.70)
177:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
177:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
177:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
177:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
177:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.061,   0.485,  -0.775)  ( -2.061,   0.485,  -0.775)  ( 0.00,  0.00,  0.00)
177:  5       ( -4.110,  -0.366,  -1.743)  ( -4.120,  -0.332,  -1.682)  ( 0.25,  1.24,  3.49)
177:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
177:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
177:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
177:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
177:     electro (  1.366,   0.073,   0.563)  (  1.366,   0.073,   0.563)  ( 0.00,  0.00,  0.00)
177:  6       ( -0.304,   0.282,  -0.195)  ( -0.308,   0.313,  -0.130)  ( 0.12,  0.89,  1.29)
177:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
177:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
177:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
177:     electro (  0.117,  -0.122,   0.045)  (  0.117,  -0.122,   0.045)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.202,   0.557,  -0.182)  ( -0.197,   0.570,  -0.158)  ( 0.09,  0.68,  0.44)
177:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
177:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
177:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
177:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
177:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
177:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
177:     electro (  0.071,  -0.184,   0.059)  (  0.071,  -0.184,   0.059)  ( 0.00,  0.00,  0.00)
177:  8       ( -1.891,  -0.177,  -0.173)  ( -1.886,  -0.165,  -0.154)  ( 0.25,  0.22,  0.33)
177:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
177:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
177:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
177:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
177:     electro (  0.618,   0.057,   0.050)  (  0.618,   0.057,   0.050)  ( 0.00,  0.00,  0.00)
177:  9       ( -0.774,  -1.950,  -0.631)  ( -0.746,  -1.983,  -0.746)  ( 2.17,  1.69,  7.26)
177:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
177:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
177:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
177:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
177:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
177:     electro (  0.281,   0.705,   0.237)  (  0.281,   0.705,   0.237)  ( 0.00,  0.00,  0.00)
177: 10       ( -0.880,  -1.134,   0.021)  ( -0.875,  -1.120,   0.038)  ( 0.42,  1.22,  0.04)
177:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
177:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
177:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
177:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
177:     electro (  0.267,   0.365,  -0.016)  (  0.267,   0.365,  -0.016)  ( 0.00,  0.00,  0.00)
177: 11       ( -0.274,  -0.454,  -0.157)  ( -0.317,  -0.358,  -0.074)  ( 1.19,  4.38,  1.30)
177:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
177:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
177:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
177:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
177:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
177:     electro (  0.115,   0.097,   0.028)  (  0.115,   0.097,   0.028)  ( 0.00,  0.00,  0.00)
177: 12       ( -0.438,   1.369,  -0.101)  ( -0.434,   1.364,  -0.123)  ( 0.17,  0.40,  0.22)
177:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
177:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
177:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
177:     electro (  0.146,  -0.445,   0.041)  (  0.146,  -0.445,   0.041)  ( 0.00,  0.00,  0.00)
177: 13       (  1.701,   2.579,  -0.525)  (  1.727,   2.539,  -0.665)  ( 1.54,  1.55,  7.37)
177:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
177:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
177:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
177:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
177:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.611,  -0.821,   0.209)  ( -0.611,  -0.821,   0.209)  ( 0.00,  0.00,  0.00)
177: 14       (  0.986,   0.151,  -0.043)  (  0.987,   0.154,  -0.045)  ( 0.11,  0.04,  0.01)
177:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
177:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
177:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.330,  -0.049,   0.015)  ( -0.330,  -0.049,   0.015)  ( 0.00,  0.00,  0.00)
177: 15       ( -0.314,   0.296,   0.066)  ( -0.314,   0.306,   0.088)  ( 0.02,  0.27,  0.15)
177:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
177:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
177:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
177:     electro (  0.133,  -0.115,  -0.022)  (  0.133,  -0.115,  -0.022)  ( 0.00,  0.00,  0.00)
177: 16       ( 12.569,   0.466,   4.456)  ( 12.606,   0.357,   4.669)  ( 0.29,  5.06,  4.80)
177:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
177:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
177:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
177:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
177:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.202,  -0.115,  -1.547)  ( -4.202,  -0.115,  -1.547)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.127,  -0.381,   0.161)  ( -0.130,  -0.361,   0.202)  ( 0.04,  0.77,  0.67)
177:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
177:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
177:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
177:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
177:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
177:     electro (  0.029,   0.109,  -0.034)  (  0.029,   0.109,  -0.034)  ( 0.00,  0.00,  0.00)
177: 18       (  2.026,   0.720,  -0.162)  (  2.029,   0.721,  -0.163)  ( 0.15,  0.06,  0.02)
177:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
177:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.668,  -0.244,   0.060)  ( -0.668,  -0.244,   0.060)  ( 0.00,  0.00,  0.00)
177: 19       (  2.870,   0.328,  -1.984)  (  2.869,   0.381,  -2.042)  ( 0.04,  1.74,  2.90)
177:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
177:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
177:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
177:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
177:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.953,  -0.110,   0.686)  ( -0.953,  -0.110,   0.686)  ( 0.00,  0.00,  0.00)
177: 20       (  1.141,   5.323,  -0.149)  (  1.157,   5.345,  -0.248)  ( 1.36,  0.42,  1.47)
177:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
177:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
177:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
177:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
177:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.385,  -1.779,   0.082)  ( -0.385,  -1.779,   0.082)  ( 0.00,  0.00,  0.00)
177: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
177:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
177:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
177:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
177:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
177:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.564,  -2.361,  -0.607)  ( -0.559,  -2.355,  -0.601)  ( 0.27,  0.24,  0.37)
177:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
177:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
177:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
177:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
177:     electro (  0.189,   0.752,   0.199)  (  0.189,   0.752,   0.199)  ( 0.00,  0.00,  0.00)
177: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
177:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
177:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -2.189,   0.946,   0.748)  ( -2.183,   0.951,   0.754)  ( 0.26,  0.50,  0.41)
177:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
177:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
177:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
177:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
177:     electro (  0.752,  -0.335,  -0.274)  (  0.752,  -0.335,  -0.274)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
177:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
177:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
177:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       (-12.122,  -7.423,  -2.247)  (-12.117,  -7.418,  -2.244)  ( 0.05,  0.07,  0.13)
177:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
177:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
177:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
177:     electro (  4.023,   2.503,   0.763)  (  4.023,   2.503,   0.763)  ( 0.00,  0.00,  0.00)
177: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
177:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
177:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
177:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
177:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
177:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
177:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
177:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
177:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
177:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
177:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  0.594,   0.396,   0.458)  (  0.597,   0.399,   0.458)  ( 0.16,  0.09,  0.04)
177:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
177:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.197,  -0.138,  -0.156)  ( -0.197,  -0.138,  -0.156)  ( 0.00,  0.00,  0.00)
177: 33       ( 11.993,  -9.102,   3.831)  ( 12.004,  -9.096,   3.748)  ( 0.09,  0.07,  2.16)
177:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
177:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
177:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.008,   3.016,  -1.242)  ( -4.008,   3.016,  -1.242)  ( 0.00,  0.00,  0.00)
177: 34       ( -0.062,  -2.957,   1.492)  ( -0.051,  -2.954,   1.456)  ( 0.07,  0.11,  2.40)
177:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
177:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
177:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
177:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
177:     electro (  0.027,   1.039,  -0.487)  (  0.027,   1.039,  -0.487)  ( 0.00,  0.00,  0.00)
177: 35       ( -7.756,   8.365,  -1.689)  ( -7.753,   8.368,  -1.689)  ( 0.05,  0.03,  0.01)
177:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
177:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
177:     electro (  2.552,  -2.816,   0.559)  (  2.552,  -2.816,   0.559)  ( 0.00,  0.00,  0.00)
177: 36       ( -0.111,   1.138,   0.003)  ( -0.104,   1.142,   0.008)  ( 0.07,  0.35,  0.00)
177:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
177:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
177:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
177:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
177:     electro (  0.045,  -0.389,  -0.005)  (  0.045,  -0.389,  -0.005)  ( 0.00,  0.00,  0.00)
177: 37       ( -0.129,   0.971,   0.072)  ( -0.124,   0.976,   0.078)  ( 0.06,  0.47,  0.05)
177:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
177:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
177:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
177:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
177:     electro (  0.053,  -0.310,  -0.040)  (  0.053,  -0.310,  -0.040)  ( 0.00,  0.00,  0.00)
177: 38       (  0.456,  -0.099,   0.104)  (  0.457,  -0.097,   0.106)  ( 0.05,  0.01,  0.02)
177:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
177:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
177:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.156,   0.039,  -0.036)  ( -0.156,   0.039,  -0.036)  ( 0.00,  0.00,  0.00)
177: 39       (  0.251,   0.090,  -0.113)  (  0.254,   0.090,  -0.111)  ( 0.05,  0.01,  0.02)
177:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
177:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.085,  -0.032,   0.042)  ( -0.085,  -0.032,   0.042)  ( 0.00,  0.00,  0.00)
177: 40       ( -0.318,  -0.258,  -0.145)  ( -0.317,  -0.256,  -0.144)  ( 0.04,  0.05,  0.02)
177:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
177:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
177:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
177:     electro (  0.096,   0.073,   0.060)  (  0.096,   0.073,   0.060)  ( 0.00,  0.00,  0.00)
177: 41       ( -0.173,   0.248,  -0.228)  ( -0.172,   0.248,  -0.225)  ( 0.01,  0.01,  0.08)
177:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
177:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
177:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
177:     electro (  0.059,  -0.086,   0.083)  (  0.059,  -0.086,   0.083)  ( 0.00,  0.00,  0.00)
177: 42       ( -0.367,   0.133,   0.950)  ( -0.366,   0.134,   0.953)  ( 0.02,  0.01,  0.31)
177:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
177:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
177:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
177:     electro (  0.127,  -0.042,  -0.330)  (  0.127,  -0.042,  -0.330)  ( 0.00,  0.00,  0.00)
177: ok 24 # gradients 
177: ok 25 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -0.279,  -0.003,   0.123)  ( -0.272,   0.001,   0.128)  ( 0.21,  0.00,  0.06)
177:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
177:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
177:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
177:     electro (  0.124,  -0.017,   0.043)  (  0.124,  -0.017,   0.043)  ( 0.00,  0.00,  0.00)
177:  2       (  0.100,  -0.168,  -0.063)  (  0.104,  -0.161,  -0.045)  ( 0.04,  0.12,  0.11)
177:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
177:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
177:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
177:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
177:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.101,  -0.072,   0.038)  ( -0.101,  -0.072,   0.038)  ( 0.00,  0.00,  0.00)
177:  3       ( -1.433,   0.619,   0.080)  ( -1.416,   0.635,  -0.042)  ( 1.17,  0.98,  0.97)
177:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
177:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
177:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
177:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
177:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
177:     electro (  0.441,  -0.186,  -0.007)  (  0.441,  -0.186,  -0.007)  ( 0.00,  0.00,  0.00)
177:  4       (  2.087,   0.080,  -0.569)  (  2.064,   0.060,  -0.243)  ( 1.08,  0.16, 18.58)
177:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
177:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
177:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
177:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
177:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.725,  -0.061,   0.062)  ( -0.725,  -0.061,   0.062)  ( 0.00,  0.00,  0.00)
177:  5       ( -2.687,  -1.178,   0.039)  ( -2.683,  -1.173,   0.054)  ( 0.13,  0.48,  0.06)
177:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
177:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
177:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
177:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
177:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
177:     electro (  0.873,   0.387,  -0.055)  (  0.873,   0.387,  -0.055)  ( 0.00,  0.00,  0.00)
177:  6       (  0.018,  -0.397,   0.001)  (  0.029,  -0.386,  -0.079)  ( 0.02,  0.42,  0.01)
177:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
177:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
177:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
177:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
177:     electro (  0.002,   0.077,   0.032)  (  0.002,   0.077,   0.032)  ( 0.00,  0.00,  0.00)
177:  7       (  3.021,   6.551,  -0.598)  (  3.026,   6.556,  -0.596)  ( 0.16,  0.08,  0.15)
177:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
177:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
177:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
177:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.008,  -2.170,   0.172)  ( -1.008,  -2.170,   0.172)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
177:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
177:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
177:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
177:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
177:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
177:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (  0.125,  -1.325,   0.049)  (  0.131,  -1.320,   0.054)  ( 0.07,  0.40,  0.03)
177:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
177:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
177:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.066,   0.423,  -0.077)  ( -0.066,   0.423,  -0.077)  ( 0.00,  0.00,  0.00)
177: 11       (  0.736,   2.170,  -0.004)  (  0.752,   2.188,  -0.139)  ( 1.17,  0.84,  0.05)
177:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
177:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
177:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
177:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
177:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.233,  -0.725,  -0.034)  ( -0.233,  -0.725,  -0.034)  ( 0.00,  0.00,  0.00)
177: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
177:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
177:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
177:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
177:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
177:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
177:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
177:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
177:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
177:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
177:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
177:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
177:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       (  0.085,   0.267,   0.463)  (  0.090,   0.268,   0.460)  ( 0.04,  0.03,  0.13)
177:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
177:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
177:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.102,  -0.148,  -0.039)  ( -0.102,  -0.148,  -0.039)  ( 0.00,  0.00,  0.00)
177: 17       (  0.030,  -0.337,   0.354)  (  0.031,  -0.333,   0.349)  ( 0.00,  0.14,  0.18)
177:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
177:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.067,   0.112,  -0.048)  ( -0.067,   0.112,  -0.048)  ( 0.00,  0.00,  0.00)
177: 18       (  0.234,   1.955,  -3.552)  (  0.255,   1.935,  -3.562)  ( 0.49,  1.01,  0.28)
177:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
177:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
177:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
177:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
177:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.105,  -0.663,   1.165)  ( -0.105,  -0.663,   1.165)  ( 0.00,  0.00,  0.00)
177: 19       (  0.354,   2.120,   0.056)  (  0.365,   2.131,   0.061)  ( 0.39,  0.51,  0.03)
177:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
177:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
177:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
177:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
177:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.137,  -0.705,   0.098)  ( -0.137,  -0.705,   0.098)  ( 0.00,  0.00,  0.00)
177: 20       ( -4.758,  -2.921,   1.091)  ( -4.871,  -2.872,   1.165)  ( 2.36,  1.67,  6.80)
177:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
177:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
177:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
177:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
177:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
177:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
177:     electro (  1.791,   1.160,  -0.235)  (  1.791,   1.160,  -0.235)  ( 0.00,  0.00,  0.00)
177: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
177:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
177:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( -1.234,   0.590,   0.291)  ( -1.240,   0.580,   0.298)  ( 0.44,  0.58,  0.20)
177:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
177:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
177:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
177:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
177:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
177:     electro (  0.348,  -0.267,  -0.229)  (  0.348,  -0.267,  -0.229)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.424,  -0.244,  -0.447)  ( -0.417,  -0.238,  -0.440)  ( 0.27,  0.14,  0.33)
177:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
179:     vdw     ( -1.057,   5.099,  -2.180)  ( -1.057,   5.099,  -2.179)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       (  2.912,  13.405,  16.850)  (  2.914,  13.409,  16.863)  ( 0.09,  0.03,  0.08)
179:     bond    ( -1.242,  -3.976,  13.089)  ( -1.242,  -3.975,  13.101)  ( 0.01,  0.03,  0.10)
179:     angle   ( -1.996,  20.852,   6.138)  ( -1.994,  20.855,   6.138)  ( 0.09,  0.01,  0.00)
179:     torsion (  5.685,  -0.198,   0.479)  (  5.686,  -0.198,   0.479)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.465,  -3.273,  -2.855)  (  0.465,  -3.273,  -2.855)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       (  0.638,  16.986,   4.348)  (  0.648,  16.991,   4.350)  ( 0.67,  0.04,  0.06)
179:     bond    ( 10.808,   6.980,  -0.988)  ( 10.817,   6.984,  -0.988)  ( 0.09,  0.06,  0.01)
179:     angle   ( -6.882,  12.809,  15.223)  ( -6.881,  12.811,  15.225)  ( 0.01,  0.01,  0.01)
179:     torsion ( -2.284,   2.981,  -3.935)  ( -2.284,   2.981,  -3.935)  ( 0.01,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.004,  -5.785,  -5.952)  ( -1.004,  -5.784,  -5.952)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( -5.490,  12.050,   9.477)  ( -5.480,  12.057,   9.480)  ( 0.17,  0.06,  0.04)
179:     bond    ( -8.767,   6.776,  -2.293)  ( -8.759,   6.781,  -2.292)  ( 0.10,  0.07,  0.03)
179:     angle   (  5.404,  14.181,  21.304)  (  5.405,  14.183,  21.306)  ( 0.02,  0.01,  0.01)
179:     torsion ( -3.779,  -3.434,   4.280)  ( -3.778,  -3.434,   4.281)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.652,  -5.474, -13.815)  (  1.652,  -5.474, -13.814)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 36 # gradients 
179: 1..36
208: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsmartssym.py:1: SyntaxWarning: invalid escape sequence '\P'
208:   """Test OpenBabel executables from Python
208: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
208:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
208: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
208:   self.stdout = io.open(c2pread, 'rb', bufsize)
208: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
208:   self.stderr = io.open(errread, 'rb', bufsize)
208: ....
208: ----------------------------------------------------------------------
208: Ran 4 tests in 82.439s
208: 
208: OK
208: 
207/219 Test #171: test_ffgaff_1 ....................   Passed  160.59 sec
208/219 Test #172: test_ffghemical_1 ................   Passed  160.58 sec
209/219 Test #179: test_ffuff_1 .....................   Passed  160.16 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xg5_ec5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xh5_x37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xhm_k26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xhr_c0p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xi4_aft.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xir_00j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xj1_xj1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xj2_985.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xj7_gc2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xjx_xjx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk3_xk3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk4_ol2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk6_eqh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk7_30e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk8_5r1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk9_xk9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xkc_4vq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xkd_t3m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xke_wi2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xkf_bx1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xkw_p1b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xm1_ltm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xm8_b4w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xm9_lwh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xmy_cdk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xn5_fun.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xne_ash.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xng_a0h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xnm_wgz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xnn_430.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xno_ed8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xnp_wcx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xo8_ad9.sdf
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173:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
173:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
173:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
173:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
173:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
173:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
173:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
173:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
173:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
173:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
173:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
173:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
173:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
173:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
173:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
173:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
173:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
173:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
173:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
173:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
173:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
173:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
173:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
173:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
173:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
173:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
173:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
173:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
173:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
173:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
173:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
173:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
173:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
173:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
173:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
173:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
173:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
173:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
173:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
173:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
173:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
173:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
173:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
173:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
173:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
173:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
173:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
173:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
173:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
173:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
173:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
173: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
173:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
173:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
173:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
173:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
173:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
173: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
173:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
173:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
173:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
173:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
173:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
173:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
173: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
173:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
173:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
173:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
173:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
173:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
173:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
173: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
173:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
173:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
173:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
173:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
173: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
173:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
173:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
173:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
173:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
173: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
173:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
173:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
173:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
173:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
173:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
173: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
173:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
173:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
173:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
173:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
173:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
173: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
173:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
173:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
173:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
173:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
173:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
173: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
173:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
173:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
173:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
173:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
173:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
173: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
173:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
173:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
173:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
173:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
173:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
173: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
173:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
173:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
173:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
173:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
173:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
173:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
173: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
173:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
173:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
173:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
173:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
173:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
173:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
173: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
173:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
173:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
173:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
173:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
173: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
173:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
173:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
173:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
173:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
173: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
173:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
173:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
173:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
173:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
173:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
173:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
173:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
173:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
173:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
173:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
173:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
173:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
173:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
173:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
173:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
173:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
173:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
173:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
173:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
173:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
173:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
173:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
173:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
173:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
173:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
173:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
173:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
173:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
173:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
173:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
173:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
173:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
173:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
173:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
173:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
173:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
173: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
173:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
173:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
173:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
173:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
173: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
173:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
173:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
173:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
173: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
173:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
173:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
173:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
173: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
173:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
173:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
173:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
173:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
173:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
173: ok 28 # gradients 
173: ok 29 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
173:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
173:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
173:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
173:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
173:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
173:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
173:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
173:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
173:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
173:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
173:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
173:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
173:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
173:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
173:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
173:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
173:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
173:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
173:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
173:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
173:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
173:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
173:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
173:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
173:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
173:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
173:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
173:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
173:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
173:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
173:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
173:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
173:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
173:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
173:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
173:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
173:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
173:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
173:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
173:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
173:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
173:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
173:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
173:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
173:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
173:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
173:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
173: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
173:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
173:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
173:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
173:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
173:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
173: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
173:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
173:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
173:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
173:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
173:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
173:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
173:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
173: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
173:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
173:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
173:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
173:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
173:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
173:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
173:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
173:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
173:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
173:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
173: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
173:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
173:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
173:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
173:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
173:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
173:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
173: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
173:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
173:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
173:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
173:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
173:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
173: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
173:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
173:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
173:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
173:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
173:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
173:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
173:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
173:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
173:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
173:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
173:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
173:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
173:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
173:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
173:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
173:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
173:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
173:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
173:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
173:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
173:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
173:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
173:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
173:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
173:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
173: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
173:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
173:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
173:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
173:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
173:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
173:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
173:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
173: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
173:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
173:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
173:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
173:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
173:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
173:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
173: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
173:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
173:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
173:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
173:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
173:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
173: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
173:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
173:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
173:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
173:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
173:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
173:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
173:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
173:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
173:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
173:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
173:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
173:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
173:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
173: ok 30 # gradients 
173: ok 31 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( -0.056,  -0.051,   0.261)  ( -0.002,   0.035,   0.079)  ( 0.30,  0.44,  4.74)
173:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
173:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
173:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
173:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
173:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
173:  2       (  0.014,   0.361,  -0.764)  ( -0.121,   0.105,  -0.143)  ( 0.18,  9.21, 47.41)
173:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
173:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
173:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
173:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
173:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
173:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
173:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
173:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
173:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
173:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
173:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
173:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
173:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
173:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  6       ( -0.046,  -0.324,   0.524)  (  0.044,  -0.163,   0.161)  ( 0.41,  5.19, 19.00)
173:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
173:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
173:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
175:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
175:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
175:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
175:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
175:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
175:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
175:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
175:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
175:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
175:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
175:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
175:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
175:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
175:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
175:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
175:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
175:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
175:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
175:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
175:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
175:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
175:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
175:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
175:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
175:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
175:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
175:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
175:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
175:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
175:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
175:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
175:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
175:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
175:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
175:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
175:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
175:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
175:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
175:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
175:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
175:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
175:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
175:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
175:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
175:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
175:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
175:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
175:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
175:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
175:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
175: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
175:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
175:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
175:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
175:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
175:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
175: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
175:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
175:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
175:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
175:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
175:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
175:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
175: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
175:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
175:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
175:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
175:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
175:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
175:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
175: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
175:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
175:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
175:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
175:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
175: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
175:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
175:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
175:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
175: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
175:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
175:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
175:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
175:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
175:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
175: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
175:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
175:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
175:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
175:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
175: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
175:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
175:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
175:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
175:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
175: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
175:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
175:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
175:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
175:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
175: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
175:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
175:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
175:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
175: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
175:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
175:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
175:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
175:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
175: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
175:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
175:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
175:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
175:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
175:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
175: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
175:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
175:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
175:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
175:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
175: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
175:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
175:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
175:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
175:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
175: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
175:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
175:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
175:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
175:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
175:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
175:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
175:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
175:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
175:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
175:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
175:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
175:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
175:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
175:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
175:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
175:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
175:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
175:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
175:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
175:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
175:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
175:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
175:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
175:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
175: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
175:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
175:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
175:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
175:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
175: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
175:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
175:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
175: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
175:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
175:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
175: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
175:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
175:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
175:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
175:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
175: ok 28 # gradients 
175: ok 29 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
175:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
175:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
175:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
175:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
175:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
175:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
175:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
175:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
175:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
175:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
175:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
175:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
175:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
175:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
175:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
175:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
175:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
175:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
175:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
175:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
175:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
175:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
175:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
175:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
175:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
175:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
175:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
175:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
175:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
175:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
175:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
175:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
175:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
175:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
175:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
175:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
175:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
175:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
175:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
175:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
175:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
175:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
175:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
175:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
175:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
175:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
175: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
175:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
175:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
175:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
175:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
175:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
175: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
175:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
175:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
175:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
175:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
175:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
175:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
175: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
175:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
175:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
175:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
175:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
175:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
175:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
175:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
175:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
175: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
175:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
175:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
175:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
175:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
175:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
175:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
175: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
175:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
175:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
175:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
175:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
175:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
175: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
175:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
175:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
175:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
175:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
175:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
175:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
175:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
175:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
175:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
175:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
175:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
175:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
175:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
175:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
175:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
175:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
175:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
175:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
175:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
175:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
175:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
175:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
175:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
175: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
175:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
175:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
175:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
175:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
175:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
175: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
175:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
175:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
175:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
175:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
175:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
175:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
175: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
175:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
175:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
175:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
175:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
175: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
175:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
175:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
175:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
175:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
175:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
175:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
175:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
175:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
175:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
175:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
175:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
175:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
175: ok 30 # gradients 
175: ok 31 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.255,  -0.617,   1.068)  ( -0.201,  -0.530,   0.886)  ( 1.38,  5.33, 17.03)
175:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
175:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
175:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
175:     torsion (  0.468,  -0.938,  -1.518)  (  0.468,  -0.938,  -1.518)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
175:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
175:  2       (  0.399,   1.062,  -2.385)  (  0.187,   0.693,  -1.476)  ( 8.42, 34.69, 38.11)
175:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
175:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
175:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
175:     torsion ( -0.041,   0.220,   0.015)  ( -0.041,   0.220,   0.016)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.254,   2.136,  -5.164)  (  1.034,   1.760,  -4.257)  (17.50, 17.63, 17.56)
175:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
175:  3       (  0.099,  -0.104,  -0.377)  (  0.100,  -0.101,  -0.376)  ( 0.01,  0.03,  0.02)
175:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
175:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
175:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.213,   0.132,   0.739)  ( -0.213,   0.132,   0.739)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (  0.072,   0.361,  -0.277)  (  0.073,   0.362,  -0.276)  ( 0.01,  0.05,  0.04)
175:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
175:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.067,   0.385,  -0.305)  (  0.067,   0.385,  -0.305)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.048,   0.159,   0.077)  ( -0.047,   0.160,   0.080)  ( 0.00,  0.01,  0.02)
175:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
175:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
175:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.071,   0.501,   0.170)  ( -0.071,   0.501,   0.170)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       ( -0.044,  -0.320,   0.515)  (  0.046,  -0.160,   0.153)  ( 0.39,  5.13, 18.69)
175:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
175:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
177:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
177:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
177:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
177:     electro (  0.030,   0.005,   0.311)  (  0.030,   0.005,   0.311)  ( 0.00,  0.00,  0.00)
177: 24       (  0.157,  -0.217,  -0.233)  (  0.172,  -0.201,  -0.226)  ( 0.23,  0.34,  0.16)
177:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
177:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
177:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
177:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
177:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.046,   0.030,  -0.098)  ( -0.046,   0.030,  -0.098)  ( 0.00,  0.00,  0.00)
177: 25       (  0.454,   0.055,   0.715)  (  0.438,   0.032,   0.721)  ( 0.74,  0.13,  0.46)
177:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
177:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
177:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
177:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.098,   0.053,  -0.044)  ( -0.098,   0.053,  -0.044)  ( 0.00,  0.00,  0.00)
177: 26       (  0.502,  -0.688,  -0.363)  (  0.560,  -0.616,  -0.355)  ( 2.88,  4.96,  0.30)
177:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
177:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
177:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
177:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
177:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
177:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.139,   0.290,   0.046)  ( -0.139,   0.290,   0.046)  ( 0.00,  0.00,  0.00)
177: 27       (  1.281,  -0.843,   0.502)  (  1.283,  -0.843,   0.504)  ( 0.11,  0.06,  0.10)
177:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
177:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
177:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.532,   0.139,  -0.121)  ( -0.532,   0.139,  -0.121)  ( 0.00,  0.00,  0.00)
177: 28       (  0.659,   0.029,  -0.865)  (  0.660,   0.029,  -0.863)  ( 0.05,  0.00,  0.16)
177:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
177:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
177:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.166,   0.148,   0.264)  ( -0.166,   0.148,   0.264)  ( 0.00,  0.00,  0.00)
177: 29       (  0.611,   0.630,   0.735)  (  0.594,   0.607,   0.737)  ( 1.08,  1.46,  0.11)
177:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
177:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
177:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.075,  -0.024,  -0.223)  ( -0.075,  -0.024,  -0.223)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.397,  -0.419,   0.691)  ( -0.398,  -0.421,   0.695)  ( 0.06,  0.10,  0.25)
177:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
177:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
177:     electro (  0.003,  -0.015,  -0.276)  (  0.003,  -0.015,  -0.276)  ( 0.00,  0.00,  0.00)
177: 31       ( -0.704,   0.375,   0.383)  ( -0.707,   0.370,   0.384)  ( 0.17,  0.17,  0.04)
177:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
177:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
177:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
177:     electro (  0.170,  -0.118,  -0.094)  (  0.170,  -0.118,  -0.094)  ( 0.00,  0.00,  0.00)
177: 32       (  1.630,  -4.947,   2.895)  (  1.690,  -4.961,   2.864)  ( 3.68,  0.29,  1.07)
177:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
177:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
177:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
177:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
177:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.685,   1.480,  -0.981)  ( -0.685,   1.480,  -0.981)  ( 0.00,  0.00,  0.00)
177: 33       (  0.265,  -3.628,   2.174)  (  0.299,  -3.635,   2.159)  ( 0.90,  0.18,  0.67)
177:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
177:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
177:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
177:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.069,   1.237,  -0.752)  ( -0.069,   1.237,  -0.752)  ( 0.00,  0.00,  0.00)
177: 34       ( -1.330,   1.205,  -3.164)  ( -1.324,   1.210,  -3.159)  ( 0.46,  0.42,  0.18)
177:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
177:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
177:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
177:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
177:     electro (  0.573,  -0.371,   1.082)  (  0.573,  -0.371,   1.082)  ( 0.00,  0.00,  0.00)
177: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
177:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
177:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
177:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
177:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
177:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
177:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
177:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
177:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
177:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 26 # gradients 
177: ok 27 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
177:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
177:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
177:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
177:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
177:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
177:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
177:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
177:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
177:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
177:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
177:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
177:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
177:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
177:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
177:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
177:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
177:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
177:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
177:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
177:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
177:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
177:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
177:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
177:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
177:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
177:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
177:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
177:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
177:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
177:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
177:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
177:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
177:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
177:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
177:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
177:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
177:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
177:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
177:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
177:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
177:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
177:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
177:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
177:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
177:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
177:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
177:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
177:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
177:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
177:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
177:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
177: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
177:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
177:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
177:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
177:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
177:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
177: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
177:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
177:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
177:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
177:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
177:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
177:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
177: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
177:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
177:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
177:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
177:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
177:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
177:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
177: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
177:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
177:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
177:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
177:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
177: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
177:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
177:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
177:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
177: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
177:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
177:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
177:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
177:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
177:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
177: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
177:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
177:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
177:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
177:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
177: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
177:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
177:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
177:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
177:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
177: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
177:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
177:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
177:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
177:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
177: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
177:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
177:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
177:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
177: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
177:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
177:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
177:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
177:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
177: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
177:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
177:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
177:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
177:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
177:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
177: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
177:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
177:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
177:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
177:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
177: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
177:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
177:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
177:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
177:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
177: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
177:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
177:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
177:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
177:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
177:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
177:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
177:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
177:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
177:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
177:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
177:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
177:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
177:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
177:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
177:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
177:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
177:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
177:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
177:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
177:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
177:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
177:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
177:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
177:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
177: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
177:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
177:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
177:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
177:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
177: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
177:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
177:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
177: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
177:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
177:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
177: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
177:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
177:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
177:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
177: ok 28 # gradients 
177: ok 29 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
177:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
177:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
177:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
177:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
177:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
177:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
177:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -1.269,  40.025, -47.383)  ( -1.404,  39.151, -47.725)  (10.68,  2.19,  0.72)
177:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
177:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
177:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
177:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
177:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.106,   0.085,  -0.093)  ( -0.106,   0.085,  -0.093)  ( 0.00,  0.00,  0.00)
177:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
177:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
177:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
177:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (-38.552, -131.229, -55.358)  (-37.756, -128.992, -53.392)  ( 2.07,  1.70,  3.55)
177:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
177:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
177:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
177:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
177:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
177:     electro (  0.094,  -0.124,   0.056)  (  0.094,  -0.124,   0.056)  ( 0.00,  0.00,  0.00)
177:  6       ( 59.731,  60.969,  24.972)  ( 58.945,  59.687,  24.144)  ( 1.32,  2.10,  3.32)
177:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
177:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
177:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
177:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
177:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.073,  -0.171,   0.058)  ( -0.073,  -0.171,   0.058)  ( 0.00,  0.00,  0.00)
177:  7       (-98.469, -30.215,   3.140)  (-97.137, -30.467,   3.742)  ( 1.35,  0.83, 19.15)
177:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
177:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
177:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
177:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
177:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.162,   0.025,  -0.053)  ( -0.162,   0.025,  -0.053)  ( 0.00,  0.00,  0.00)
177:  8       ( 43.352, -30.505,  99.229)  ( 42.057, -30.082,  96.879)  ( 2.99,  1.39,  2.37)
177:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
177:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
177:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
177:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
177:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.389,   0.454,  -0.382)  ( -0.389,   0.454,  -0.382)  ( 0.00,  0.00,  0.00)
177:  9       ( 32.784,  53.653, -118.720)  ( 32.158,  52.563, -117.998)  ( 1.91,  2.03,  0.61)
177:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
177:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
177:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
177:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
177:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.068,   0.155,  -0.235)  ( -0.068,   0.155,  -0.235)  ( 0.00,  0.00,  0.00)
177: 10       ( -2.856, -19.715, 132.354)  ( -2.826, -20.000, 130.748)  ( 1.05,  1.45,  1.21)
177:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
177:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
177:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
177:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
177:     electro (  0.145,  -0.076,  -0.098)  (  0.145,  -0.076,  -0.098)  ( 0.00,  0.00,  0.00)
177: 11       ( 47.621, -23.666, -61.746)  ( 37.332, -24.369, -53.148)  (21.61,  2.97, 13.92)
177:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
177:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
177:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
177:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
177:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
177:     electro (  0.012,   0.244,  -0.569)  (  0.012,   0.244,  -0.569)  ( 0.00,  0.00,  0.00)
177: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
177:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
177:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
177:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (-44.134, -77.724, 137.267)  (-23.402, -75.683, 122.411)  (46.97,  2.63, 10.82)
177:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
177:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
177:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
177:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
177:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.142,  -0.047,  -0.416)  ( -0.142,  -0.047,  -0.416)  ( 0.00,  0.00,  0.00)
177: 14       (-74.159,  -4.011, -45.310)  (-74.368,  -3.653, -44.962)  ( 0.28,  8.92,  0.77)
177:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
177:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
177:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
177:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
177:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
177:     electro (  0.122,  -0.447,   0.515)  (  0.122,  -0.447,   0.515)  ( 0.00,  0.00,  0.00)
177: 15       ( 72.737, 109.579, -59.037)  ( 62.796, 108.005, -52.228)  (13.67,  1.44, 11.53)
177:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
177:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
177:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
177:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
177:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.174,  -2.174,   0.579)  ( -1.174,  -2.174,   0.579)  ( 0.00,  0.00,  0.00)
177: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
177:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
177:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
177:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
177:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
177:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
177:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
177:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
177:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
177:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
177:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
177:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
177:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
177:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
177:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
177:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
177:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
177:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
177:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
177:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -2.164,  11.131,  -4.375)  ( -2.098,  11.194,  -4.198)  ( 3.06,  0.57,  4.03)
177:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
177:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
177:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
177:     electro (  0.006,   0.097,  -0.061)  (  0.006,   0.097,  -0.061)  ( 0.00,  0.00,  0.00)
177: 26       (  7.727,  -9.491, -15.626)  (  7.376,  -9.247, -15.019)  ( 4.55,  2.57,  3.89)
177:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
177:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
177:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
177:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
177:     electro (  0.179,   0.059,   0.214)  (  0.179,   0.059,   0.214)  ( 0.00,  0.00,  0.00)
177: 27       (-10.244,  -1.168,  -0.252)  ( -9.709,  -0.459,  -0.350)  ( 5.21, 60.69,  2.46)
177:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
177:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
177:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
177:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
177:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
177:     electro (  0.238,   0.061,   0.396)  (  0.238,   0.061,   0.396)  ( 0.00,  0.00,  0.00)
177: 28       (-35.334,  35.042, -12.778)  (-35.136,  35.088, -12.476)  ( 0.56,  0.13,  2.36)
177:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
177:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
177:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
210/219 Test #208: pytest_smartssym .................   Passed   95.72 sec
211/219 Test  #25: test_canonstable_1 ...............   Passed  189.66 sec
214: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testRInChI.py:1: SyntaxWarning: invalid escape sequence '\P'
214:   """Test OpenBabel executables from Python
214: ..
214: ----------------------------------------------------------------------
214: Ran 2 tests in 84.601s
214: 
214: OK
214: 
212/219 Test #214: pytest_RInChI ....................   Passed   95.97 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acj_kss.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acl_3f1.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ad5_5pb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ad6_ksc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aez_paz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3af4_gcp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3afr_icj.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ai8_hnq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ajh_bl3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3akg_ahr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aki_ah8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3akn_11d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3am9_fyo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anl_syc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anm_syd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ann_sye.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anq_ehb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anr_hrm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ans_s38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ant_s82.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao2_avx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao3_bmc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao4_833.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao5_bby.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aoc_ery.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aox_emh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apc_mmd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apd_mmy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apf_bmw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apv_tp0.sdf
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173:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
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173: 10       ( -0.145,   0.204,   0.151)  ( -0.062,   0.014,  -0.015)  ( 1.21,  3.88,  2.49)
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173: 11       ( -0.193,  -2.395,  -0.387)  (  0.210,  -0.194,   0.018)  ( 7.77, 91.89, 15.69)
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173:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
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173: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
173:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
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173:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
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173: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
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173:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
173: 14       (  3.917,   5.394,   1.410)  ( -0.341,   0.047,  -0.005)  (108.71, 99.13, 100.32)
173:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
173:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
173:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
173:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
173:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
173:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
173:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
173: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
173:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
173:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
173:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 16       ( -2.750,  -3.359,  -1.104)  ( -0.093,  -0.188,  -0.129)  (96.60, 94.39, 88.36)
173:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
173:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
173:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
173:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
173:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
173:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
173:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
173: 17       (  0.022,  -0.029,  -0.074)  (  0.027,  -0.025,  -0.069)  ( 0.01,  0.01,  0.03)
173:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
173:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
173:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
173:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
173:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
173: 18       ( -0.527,   0.717,   0.247)  ( -0.131,  -0.014,  -0.098)  (20.83, 52.36,  8.52)
173:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
173:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
173:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
173:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
173:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
173:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
173:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
173: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
173:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
173:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
173:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
173:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
173:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
173:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
173:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
173:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 21       (  1.073,   0.070,  -0.862)  (  0.111,  -0.108,  -0.067)  (89.62,  1.25, 68.53)
173:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
173:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
173:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
173:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
173:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
173:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
173:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
173: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
173:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
173:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
173:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
173:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
173:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
173:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
173:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
173:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
173:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
173:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
173: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
173:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
173:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
173:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
173:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
173:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
173:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
173:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
173:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
173:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
173:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
173:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
173:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
173:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
173:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
173:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
173:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
173:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
173:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
173:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
173:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
173: 31       ( -0.560,   0.014,   0.551)  ( -0.085,   0.116,   0.170)  (26.59,  0.14, 20.99)
173:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
173:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
173:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
173:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
173:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
173: ok 32 # gradients 
173: ok 33 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
173:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
173:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
173:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
173:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
173:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
173:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
173:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
173:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
173:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
173:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
173:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
173:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
173:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
173:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
173:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
173:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
173:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
173:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
173:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
173:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
173:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
173:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
173:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
173:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
173:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
173:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
173:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
173:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
173:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
173:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
173:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
173:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
173:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
173:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
173:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
173:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
173:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
173:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
173:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
173:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
173:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
173:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
173:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
173:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
173:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
173: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
173:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
173:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
173:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
173:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
173: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
173:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
173:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
173:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
173: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
173:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
173:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
173:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
173:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
173: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
173:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
173:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
173:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
173:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
173: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
173:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
173:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
173:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
173:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
173: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
173:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
173:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
173:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
173:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
173:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
173: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
173:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
173:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
173:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
173: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
173:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
173:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
173:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
173:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
173: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
173:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
173:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
173:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
173:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
173:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
173: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
173:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
173:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
173:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
173:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
173: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
173:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
173:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
173:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
173:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
173: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
173:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
173:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
173:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
173:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
173: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
173:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
173:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
173:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
173:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
173:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
173:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
173:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
173:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
173:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
173:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
173:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
173:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
173:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
173:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
173:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
173:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
173:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 34 # gradients 
173: ok 35 # energy 
173: ----------------------------------------------------------------------------------------
173:                                                                                         
173:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
173:                                                                                         
173:                                                                                         
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
173:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
173:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
173:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
173:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
173:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
173:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
173:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
173:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
173:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
173:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
173:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
173:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
173:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
173:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
173:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
173:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
173:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
173:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
173:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
173:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
173:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
173:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
173:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
173:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
173:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
173:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
173:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
173:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
173:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
173:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
173:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
173:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
173:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
173:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
173:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
173:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
173:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
173:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
173:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
173:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
173:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
173:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
173:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
173:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
173:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
173:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
173:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
173:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
173:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
173:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
173:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
173:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
173: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
173:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
173:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
173:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
173: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
173:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
173:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
173:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
173:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
173:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
173: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
173:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
173:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
173:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
173:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
173:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
173:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
173: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
173:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
173:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
173:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
173:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
173:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
173:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
173: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
173:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
173:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
173:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
173:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
173:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
173:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
173: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
173:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
173:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
173:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
173:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
173:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
173: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
173:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
173:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
173:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
173:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
173:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
173:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
173: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
173:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
173:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
173:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
173:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
173:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
173: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
173:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
173:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
173:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
173:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
173:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
173: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
173:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
173:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
173:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
173:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 20       ( -7.022,  36.733,  -5.283)  ( -6.843,  36.719,  -5.733)  ( 2.56,  0.04,  8.53)
173:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
173:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
173:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
173:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
173:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
173:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
173:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
173: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
173:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
173:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
173:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
173:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
173:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
173:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
173: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
173:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
173:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
173:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
173:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
173:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
173:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
173:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
173: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
173:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
173:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
173:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
173:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
173:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
173:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
173:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
173: 24       (-10.794,  46.348,  -6.929)  (-10.714,  46.344,  -7.100)  ( 0.74,  0.01,  2.47)
173:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
173:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
173:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
173:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
173:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
173:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
173: 25       (  3.373, -52.861,   6.703)  (  3.261, -52.831,   7.013)  ( 3.32,  0.06,  4.61)
173:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
173:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
173:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
173:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
173:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
173:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
173: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
173:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
173:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
173:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
173:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
173:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
173: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
173:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
173:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
173:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
173:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
173:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
173: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
173:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
173:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
173:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
173:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
173:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
173: 29       ( 12.404,   3.421,   4.782)  ( 12.393,   3.426,   4.831)  ( 0.09,  0.14,  1.01)
173:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
173:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
173:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
173:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
173:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
173: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
173:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
173:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
173:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
173:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
173:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
173:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
173: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
173:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
173:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
173:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
173:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
173:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
173: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
173:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
173:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
173:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
173:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
173:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
173:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
173:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
173:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
173:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
173:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
173:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.145,   0.220,  -0.431)  (  0.145,   0.220,  -0.431)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
175:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
175:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
175:  7       ( -1.084,  -2.080,   4.678)  ( -0.929,  -1.820,   4.094)  (14.27, 12.52, 12.48)
175:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
175:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
175:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
175:     torsion ( -1.314,  -1.588,   4.757)  ( -1.314,  -1.588,   4.757)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.890,  -1.592,   3.617)  ( -0.742,  -1.338,   3.031)  (13.16, 15.96, 16.21)
175:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
175:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
175:  8       (  0.362,   0.876,  -1.744)  (  0.339,   0.818,  -1.626)  ( 0.81,  5.07,  6.74)
175:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
175:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.185,   0.569,  -1.322)  (  0.185,   0.569,  -1.322)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.183,   0.439,  -0.858)  (  0.158,   0.378,  -0.741)  ( 0.46,  2.64, 10.05)
175:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
175:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
175:  9       ( -0.244,   0.022,  -1.499)  (  0.767,   0.942,  -1.037)  (24.71,  1.98, 30.81)
175:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
175:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
175:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
175:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
175:     oop     ( -4.053,  -4.498,  -2.741)  ( -3.047,  -3.584,  -2.283)  (24.82, 20.32, 16.71)
175:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
175: 10       ( -2.185,  -5.140,  -3.398)  ( -2.240,  -4.992,  -3.264)  ( 2.50,  2.89,  3.97)
175:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
175:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
175:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
175:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.874,  -2.291,  -1.521)  ( -0.933,  -2.145,  -1.392)  ( 5.17,  6.34,  8.45)
175:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
175:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
175: 11       (  3.745,  17.929,   6.367)  (  4.378,  17.893,   6.474)  (16.89,  0.20,  1.69)
175:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
175:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
175:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
175:     torsion (  5.606,  14.261,  -6.736)  (  5.606,  14.261,  -6.736)  ( 0.00,  0.00,  0.00)
175:     oop     ( -1.916,   3.215,   0.391)  ( -1.291,   3.177,   0.494)  (32.66,  1.18,  4.02)
175:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
175:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
175: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
175:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
175:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
175:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
175:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
175:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
175: 14       (  0.757,  -0.748,   0.385)  ( -3.436,  -5.579,  -1.228)  (317.23, 361.26, 62.00)
175:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
175:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
175:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
175:     torsion ( -1.040,  -7.523,   2.789)  ( -1.040,  -7.523,   2.789)  ( 0.01,  0.00,  0.00)
175:     oop     ( 13.584,  16.275,   6.445)  (  9.386,  11.441,   4.821)  (30.90, 29.70, 25.21)
175:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
175:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
175: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
175:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
175:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       ( -2.859,  -3.548,  -1.151)  ( -0.202,  -0.378,  -0.176)  (92.93, 89.34, 84.72)
175:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
175:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
175:     torsion (  1.428,   2.859,   0.669)  (  1.428,   2.859,   0.669)  ( 0.00,  0.00,  0.00)
175:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
175:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
175:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
175: 17       (  0.002,   0.044,  -0.035)  (  0.007,   0.048,  -0.031)  ( 0.00,  0.02,  0.02)
175:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
175:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
175:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
175:     torsion ( -1.315,  -0.128,  -0.321)  ( -1.315,  -0.128,  -0.321)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
175:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
175: 18       (  1.407,  -7.885,  -2.678)  (  1.645,  -7.234,  -2.828)  (16.96,  8.25,  5.60)
175:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
175:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
175:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
175:     torsion (  2.895,  -5.723,   2.052)  (  2.895,  -5.723,   2.052)  ( 0.00,  0.00,  0.00)
175:     oop     ( -1.124,  -3.995,   0.695)  ( -0.890,  -3.350,   0.539)  (20.81, 16.16, 10.85)
175:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
175:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
175: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
175:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
175:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
175:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
175:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
175:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
175:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
175:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
175:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       ( -0.137,  -0.079,   0.370)  ( -1.098,  -0.257,   1.165)  (13.13,  1.41, 29.42)
175:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
175:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
175:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
175:     torsion ( -2.717,   0.003,   3.882)  ( -2.716,   0.003,   3.882)  ( 0.00,  0.00,  0.00)
175:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
175:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
175:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
175: 22       ( -0.007,  -0.027,   0.080)  ( -0.006,  -0.025,   0.082)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
175:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
175:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
175:     torsion ( -2.347,  -0.316,  -0.016)  ( -2.347,  -0.316,  -0.016)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
175:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
175:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
175:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
175:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
175:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
175:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
175: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
175:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
175:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
175:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
175:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
175:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
175:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
175:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
175:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
175:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
175:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
175:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
175:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
175:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
175:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
175:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
175:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
175:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
175:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
175:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
175: 31       (  0.125,   0.139,   0.019)  (  0.600,   0.242,  -0.362)  ( 5.95,  1.43,  0.73)
175:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
175:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.247,   0.012,  -0.130)  (  0.247,   0.012,  -0.130)  ( 0.00,  0.00,  0.00)
175:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
175:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
175:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
175: ok 32 # gradients 
175: ok 33 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
175:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
175:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
175:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
175:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
175:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
175:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
175:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
175:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
175:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
175:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
175:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
175:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
175:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
175:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
175:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
175:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
175:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
175:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
175:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
175:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
175:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
175:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
175:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
175:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
175:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
175:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
175:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
175:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
175:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
175:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
175:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
175:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
175:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
175:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
175:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
175:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
175:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
175:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
175:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
175:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
175:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
175:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
175:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
175: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
175:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
175:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
175:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
175: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
175:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
175:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
175:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
175:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
175: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
175:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
175:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
175:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
175: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
175:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
175:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
175:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
175: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
175:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
175:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
175:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
175:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
175:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
175: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
175:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
175:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
175:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
175:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
175:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
175:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
175:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
175:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
175:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
175:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
175:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
175:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
175:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
175:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
175:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
175: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
175:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
175:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
175:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
175:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
175: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
175:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
175:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
175:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
175: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
175:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
175:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
175:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
175:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
175:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
175:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
175:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
175:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
175:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
175:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 34 # gradients 
175: ok 35 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
175:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
175:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
175:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
175:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
175:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
175:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
175:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
175:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
175:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
175:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
175:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
175:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
175:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
175:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
175:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
175:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
175:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
175:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
175:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
175:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
175:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
175:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
175:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
175:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
175:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
175:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
175:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
175:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
175:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
175:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
175:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
175:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
175:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
175:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
175:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
175:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
175:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
175:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
175:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
175:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
175:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
175:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
175:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
175:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
175:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
175:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
175:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
175:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
175:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
175: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
175:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
175:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
175: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
175:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
175:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
175:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
175:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
175: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
175:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
175:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
175:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
175:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
175:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
175:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
175: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
175:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
175:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
175:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
175:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
175:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
175: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
175:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
175:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
175:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
175:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
175:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
175:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
175: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
175:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
175:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
175:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
175:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
175:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
175:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
175: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
175:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
175:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
175:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
175:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
175: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
175:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
175:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
175:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
175: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
175:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
175:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
175:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
175:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
175:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
175: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
175:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
175:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
175:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
175:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( -6.870,  36.702,  -5.681)  ( -6.722,  36.693,  -6.048)  ( 2.15,  0.02,  6.46)
175:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
175:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
175:     torsion ( -0.784,   0.421,   0.854)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
175:     oop     ( -0.853,   0.117,   2.254)  ( -0.713,   0.098,   1.885)  (11.97,  0.23, 16.38)
175:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
175:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
175: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
175:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
175:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
175:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
175:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
175:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
175: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
175:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
175:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
175:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
175:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
175:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
175: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
175:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
175:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
175:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
175:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
175: 24       (-10.644,  46.320,  -7.304)  (-10.601,  46.321,  -7.383)  ( 0.41,  0.00,  1.07)
175:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
175:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
175:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
175:     torsion ( -0.033,  -0.002,   0.110)  ( -0.033,  -0.002,   0.110)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.164,   0.025,   0.425)  ( -0.132,   0.020,   0.344)  ( 0.53,  0.01,  3.44)
175:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
175:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
175: 25       (  2.890, -52.759,   7.938)  (  2.866, -52.746,   8.021)  ( 0.81,  0.03,  1.05)
175:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
175:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
175:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.692,  -0.055,  -1.836)  (  0.692,  -0.055,  -1.835)  ( 0.01,  0.00,  0.06)
175:     oop     (  0.204,  -0.021,  -0.530)  (  0.173,  -0.017,  -0.449)  ( 0.63,  0.01,  4.31)
175:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
175:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
175: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
175:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
175:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
175:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
175:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
175: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
175:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
175:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
175:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
175:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
175: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
175:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
175:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
175:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
175:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
175:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
175: 29       ( 12.410,   3.420,   4.766)  ( 12.399,   3.425,   4.814)  ( 0.09,  0.14,  1.01)
175:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
175:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
175:     torsion ( -0.049,   0.009,   0.126)  ( -0.049,   0.009,   0.127)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
175:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
175:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
175:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
175:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
175:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
175:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
175:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
175: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
175:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
175:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
175:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
175:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
175:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
175: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
175:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
175:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
175:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
175:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
175:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
175:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
175:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
175:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
175:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
175:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
175:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.118,   0.025,   0.007)  ( -0.118,   0.025,   0.007)  ( 0.00,  0.00,  0.00)
177: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
177:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
177:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
177:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
177:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
177:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
177:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
177:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
177:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       ( 15.026, -20.398, -24.613)  ( 15.025, -20.394, -24.614)  ( 0.01,  0.02,  0.00)
177:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
177:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
177:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
177:     electro (  1.436,   1.834,   0.082)  (  1.436,   1.834,   0.082)  ( 0.00,  0.00,  0.00)
177: ok 30 # gradients 
177: ok 31 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  0.503,   0.593,   0.614)  (  0.557,   0.679,   0.432)  ( 2.71,  5.12, 11.17)
177:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
177:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
177:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
177:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
177:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.186,  -0.215,  -0.118)  ( -0.186,  -0.215,  -0.118)  ( 0.00,  0.00,  0.00)
177:  2       (  0.433,   1.527,  -2.187)  (  0.299,   1.272,  -1.566)  ( 5.83, 16.72, 28.38)
177:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
177:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
177:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
177:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
177:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.140,  -0.389,   0.474)  ( -0.140,  -0.389,   0.474)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
177:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
177:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
177:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
177:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
177:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
177:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
177:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       ( -1.261, -10.162,  -2.054)  ( -1.171, -10.002,  -2.417)  ( 7.10,  1.58, 17.66)
177:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
177:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
177:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
177:     electro (  0.405,   3.280,   0.859)  (  0.405,   3.280,   0.859)  ( 0.00,  0.00,  0.00)
177:  7       (  8.086,  -2.297,   5.227)  (  8.018,  -2.411,   5.470)  ( 0.83,  4.98,  4.67)
177:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
177:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
177:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
177:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
177:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
177:     electro ( -2.641,   0.850,  -1.845)  ( -2.641,   0.850,  -1.845)  ( 0.00,  0.00,  0.00)
177:  8       ( -1.549,   2.804,   0.093)  ( -1.512,   2.887,  -0.063)  ( 2.38,  2.95,  1.44)
177:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
177:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
177:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
177:     electro (  0.492,  -0.990,   0.070)  (  0.492,  -0.990,   0.070)  ( 0.00,  0.00,  0.00)
177:  9       (  2.604,   1.389,   2.014)  (  3.702,   2.430,   2.209)  (42.15, 74.99,  9.68)
177:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
177:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
177:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
177:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
177:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
177:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.103,  -0.686,  -0.690)  ( -1.103,  -0.686,  -0.690)  ( 0.00,  0.00,  0.00)
177: 10       ( -1.066,   5.610,  -2.893)  ( -0.982,   5.420,  -3.059)  ( 7.81,  3.39,  5.71)
177:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
177:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
177:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
177:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
177:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
177:     electro (  0.307,  -1.802,   1.015)  (  0.307,  -1.802,   1.015)  ( 0.00,  0.00,  0.00)
177: 11       (  1.808,  -9.619,  -1.369)  (  2.211,  -7.418,  -0.964)  (22.27, 22.88, 29.59)
177:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
177:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
177:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
177:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
177:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
177:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.667,   2.408,   0.327)  ( -0.667,   2.408,   0.327)  ( 0.00,  0.00,  0.00)
177: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
177:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
177:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (  0.174,  -1.208,  -0.013)  (  0.176,  -1.206,  -0.012)  ( 0.04,  0.16,  0.00)
177:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
177:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
177:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.055,   0.391,  -0.007)  ( -0.055,   0.391,  -0.007)  ( 0.00,  0.00,  0.00)
177: 14       ( -1.151,   8.695,   3.501)  ( -5.409,   3.347,   2.087)  (369.90, 61.50, 40.40)
177:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
177:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
177:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
177:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
177:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
177:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
177:     electro (  1.689,  -1.100,  -0.697)  (  1.689,  -1.100,  -0.697)  ( 0.00,  0.00,  0.00)
177: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
177:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
177:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       ( -7.534,  -3.810,   1.039)  ( -4.877,  -0.640,   2.015)  (35.26, 83.21, 93.87)
177:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
177:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
177:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
177:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
177:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
177:     electro (  1.594,   0.150,  -0.714)  (  1.594,   0.150,  -0.714)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.036,   2.770,  -1.504)  ( -0.031,   2.774,  -1.500)  ( 0.02,  0.15,  0.30)
177:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
177:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
177:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
177:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
177:     electro (  0.019,  -0.933,   0.477)  (  0.019,  -0.933,   0.477)  ( 0.00,  0.00,  0.00)
177: 18       (  4.892,  -0.985,   0.285)  (  5.287,  -1.716,  -0.060)  ( 8.09, 71.97,  9.84)
177:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
177:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
177:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
177:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
177:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
177:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.806,   0.567,  -0.013)  ( -1.806,   0.567,  -0.013)  ( 0.00,  0.00,  0.00)
177: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
177:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
177:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
177:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
177:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
177:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
177:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
177:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
177:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (  0.488,   0.737,  -2.713)  ( -0.474,   0.559,  -1.918)  (46.96, 13.13, 29.31)
177:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
177:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
177:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
177:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
177:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
177:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
177:     electro (  0.195,  -0.222,   0.617)  (  0.195,  -0.222,   0.617)  ( 0.00,  0.00,  0.00)
177: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
177:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
177:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
177:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
177:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -3.234,   0.160,   0.213)  ( -3.041,   0.205,   0.050)  ( 5.98,  0.73,  3.48)
177:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
177:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
177:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
177:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
177:     electro (  1.014,  -0.057,  -0.008)  (  1.014,  -0.057,  -0.008)  ( 0.00,  0.00,  0.00)
177: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
177:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
177:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
177:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
177:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
177:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
177:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
177:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
177:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
177:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
177:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
177:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
177:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
177:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
177:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
177:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
177:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
177:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (  7.205,   2.240,   7.247)  (  7.205,   2.245,   7.247)  ( 0.01,  0.22,  0.01)
177:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
177:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.405,  -0.728,  -2.400)  ( -2.405,  -0.728,  -2.400)  ( 0.00,  0.00,  0.00)
177: 31       (-10.418,   1.586,  -7.406)  ( -9.943,   1.689,  -7.787)  ( 4.56,  6.45,  5.14)
177:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
177:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
177:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
177:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
177:     electro (  3.286,  -0.524,   2.653)  (  3.286,  -0.524,   2.653)  ( 0.00,  0.00,  0.00)
177: ok 32 # gradients 
177: ok 33 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  0.511,  -0.096,  -0.005)  (  0.520,  -0.092,   0.001)  ( 0.45,  0.03,  0.00)
177:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
177:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
177:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.173,   0.032,   0.000)  ( -0.173,   0.032,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.075,   0.318,   0.474)  ( -0.066,   0.334,   0.472)  ( 0.07,  0.52,  0.08)
177:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
177:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
177:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
177:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.006,  -0.130,  -0.194)  ( -0.006,  -0.130,  -0.194)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.080,   0.261,   0.300)  ( -0.079,   0.234,   0.325)  ( 0.01,  0.70,  0.76)
177:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
177:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
177:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
177:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
177:     electro (  0.088,  -0.091,  -0.119)  (  0.088,  -0.091,  -0.119)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
177:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
177:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
177:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.246,  -0.217,  -0.384)  ( -0.235,  -0.186,  -0.397)  ( 0.29,  0.67,  0.50)
177:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
177:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
177:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
177:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
177:     electro (  0.115,   0.053,   0.119)  (  0.115,   0.053,   0.119)  ( 0.00,  0.00,  0.00)
177:  6       ( -0.141,  -0.330,  -0.527)  ( -0.136,  -0.337,  -0.513)  ( 0.08,  0.25,  0.74)
177:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
177:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
177:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
177:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
177:     electro (  0.041,   0.123,   0.194)  (  0.041,   0.123,   0.194)  ( 0.00,  0.00,  0.00)
177:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
177:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
177:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
177:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.108,   1.157,  -0.705)  ( -0.101,   1.163,  -0.702)  ( 0.08,  0.53,  0.24)
177:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
177:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
177:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
177:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
177:     electro (  0.004,  -0.378,   0.228)  (  0.004,  -0.378,   0.228)  ( 0.00,  0.00,  0.00)
177:  9       (  0.009,  -0.348,   0.187)  (  0.016,  -0.342,   0.191)  ( 0.01,  0.21,  0.07)
177:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
177:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
177:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.006,   0.087,  -0.052)  ( -0.006,   0.087,  -0.052)  ( 0.00,  0.00,  0.00)
177: 10       (  2.631,  -0.498,   0.003)  (  2.635,  -0.493,   0.006)  ( 0.16,  0.24,  0.00)
177:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
177:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.883,   0.165,   0.001)  ( -0.883,   0.165,   0.001)  ( 0.00,  0.00,  0.00)
177: 11       (  0.028,   0.306,  -0.205)  (  0.035,   0.312,  -0.201)  ( 0.02,  0.19,  0.08)
177:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
177:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
177:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.037,  -0.079,   0.052)  ( -0.037,  -0.079,   0.052)  ( 0.00,  0.00,  0.00)
177: 12       ( -0.373,  -1.134,   0.744)  ( -0.366,  -1.129,   0.747)  ( 0.27,  0.47,  0.19)
177:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
177:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
177:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
177:     electro (  0.140,   0.351,  -0.228)  (  0.140,   0.351,  -0.228)  ( 0.00,  0.00,  0.00)
177: 13       ( -0.263,  -0.228,   0.157)  ( -0.261,  -0.226,   0.159)  ( 0.05,  0.05,  0.02)
177:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
177:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
177:     electro (  0.092,   0.086,  -0.056)  (  0.092,   0.086,  -0.056)  ( 0.00,  0.00,  0.00)
177: 14       ( -0.602,   0.636,  -0.300)  ( -0.601,   0.639,  -0.299)  ( 0.08,  0.16,  0.03)
177:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
177:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
177:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
177:     electro (  0.205,  -0.220,   0.109)  (  0.205,  -0.220,   0.109)  ( 0.00,  0.00,  0.00)
177: 15       (  0.332,  -0.118,  -0.060)  (  0.339,  -0.102,  -0.061)  ( 0.25,  0.18,  0.01)
177:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
177:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
177:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
177:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
177:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.126,   0.033,   0.024)  ( -0.126,   0.033,   0.024)  ( 0.00,  0.00,  0.00)
177: 16       (  1.094,  -0.202,   0.008)  (  1.098,  -0.201,   0.009)  ( 0.42,  0.01,  0.00)
177:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
177:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.353,   0.066,   0.000)  ( -0.353,   0.066,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       ( -1.177,  -0.211,  -0.630)  ( -1.176,  -0.211,  -0.627)  ( 0.12,  0.01,  0.21)
177:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
177:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
177:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
177:     electro (  0.380,   0.086,   0.234)  (  0.380,   0.086,   0.234)  ( 0.00,  0.00,  0.00)
177: 18       (  0.347,  -0.021,   0.119)  (  0.351,  -0.024,   0.130)  ( 0.15,  0.01,  0.13)
177:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
177:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
177:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
177:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
177:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.129,   0.014,  -0.024)  ( -0.129,   0.014,  -0.024)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.995,   0.639,   0.659)  ( -0.993,   0.641,   0.661)  ( 0.24,  0.13,  0.13)
177:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
177:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
177:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
177:     electro (  0.323,  -0.218,  -0.234)  (  0.323,  -0.218,  -0.234)  ( 0.00,  0.00,  0.00)
177: 20       ( -0.147,   0.296,  -0.160)  ( -0.146,   0.299,  -0.159)  ( 0.02,  0.08,  0.01)
177:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
177:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
177:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
177:     electro (  0.055,  -0.113,   0.056)  (  0.055,  -0.113,   0.056)  ( 0.00,  0.00,  0.00)
177: 21       ( -0.773,  -0.355,   0.288)  ( -0.771,  -0.353,   0.289)  ( 0.16,  0.06,  0.02)
177:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
177:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
177:     electro (  0.271,   0.131,  -0.109)  (  0.271,   0.131,  -0.109)  ( 0.00,  0.00,  0.00)
177: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
177:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
177:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
177:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
177:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
177:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
177:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
177:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
177:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
177:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
177:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 34 # gradients 
177: ok 35 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( 31.424,  -0.200,  18.228)  ( 31.429,  -0.198,  18.233)  ( 0.02,  0.05,  0.03)
177:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
177:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
177:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
177:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
177:     electro (  2.864,  -0.239,   3.155)  (  2.864,  -0.239,   3.155)  ( 0.00,  0.00,  0.00)
177:  2       (-36.010,   4.515,  17.051)  (-36.005,   4.520,  17.057)  ( 0.01,  0.12,  0.03)
177:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
177:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
177:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
177:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
177:     electro (  1.650,   1.429,   2.533)  (  1.650,   1.429,   2.533)  ( 0.00,  0.00,  0.00)
177:  3       (-11.045, -13.207,  11.272)  (-11.039, -13.201,  11.277)  ( 0.05,  0.04,  0.05)
177:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
177:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
177:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
177:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.907,  -0.238,   0.176)  ( -0.907,  -0.238,   0.176)  ( 0.00,  0.00,  0.00)
177:  4       ( -4.273,   7.522,  -3.211)  ( -4.268,   7.525,  -3.205)  ( 0.13,  0.04,  0.18)
177:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
177:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
177:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
177:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.941,  -0.746,  -2.788)  ( -1.941,  -0.746,  -2.788)  ( 0.00,  0.00,  0.00)
177:  5       ( 15.539,  -6.936, -11.710)  ( 15.544,  -6.931, -11.704)  ( 0.03,  0.08,  0.05)
177:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
177:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
177:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
177:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
177:     electro (  0.082,   0.038,  -0.901)  (  0.082,   0.038,  -0.901)  ( 0.00,  0.00,  0.00)
177:  6       ( 19.460,  15.761, -31.866)  ( 19.465,  15.766, -31.861)  ( 0.03,  0.03,  0.02)
177:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
177:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
177:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
177:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
177:     electro (  1.260,   1.567,   2.216)  (  1.260,   1.567,   2.216)  ( 0.00,  0.00,  0.00)
177:  7       ( -5.272,  -8.082,  -8.394)  ( -5.266,  -8.076,  -8.389)  ( 0.11,  0.07,  0.07)
177:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
177:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
177:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
177:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.016,  -0.029,   0.035)  ( -0.016,  -0.029,   0.035)  ( 0.00,  0.00,  0.00)
177:  8       (  1.728,  10.474,  24.887)  (  1.734,  10.474,  24.938)  ( 0.32,  0.00,  0.20)
177:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
177:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
177:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
177:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
177:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
177:     electro ( -2.852,   1.333,  -0.654)  ( -2.852,   1.333,  -0.654)  ( 0.00,  0.00,  0.00)
177:  9       (  8.282, -17.496,  -4.338)  (  8.284, -17.494,  -4.331)  ( 0.02,  0.01,  0.14)
177:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
177:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.854,  -0.519,  -2.230)  ( -0.854,  -0.519,  -2.230)  ( 0.00,  0.00,  0.00)
177: 10       ( 12.548,   0.140, -14.985)  ( 12.549,   0.147, -14.984)  ( 0.01,  0.10,  0.01)
177:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
177:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.689,  -2.068,  -1.261)  ( -0.689,  -2.068,  -1.261)  ( 0.00,  0.00,  0.00)
177: 11       (-10.575,  -8.846,  -5.661)  (-10.571,  -8.813,  -5.772)  ( 0.03,  0.38,  1.96)
177:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
177:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
177:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
177:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.021,  -0.018,  -0.016)  ( -0.021,  -0.018,  -0.016)  ( 0.00,  0.00,  0.00)
177: 12       (-24.157,   0.640,  -1.425)  (-24.149,   0.633,  -1.363)  ( 0.03,  0.45,  4.37)
177:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
177:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
177:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
177:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
177:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
177:     electro (  0.966,  -0.478,  -0.270)  (  0.966,  -0.478,  -0.270)  ( 0.00,  0.00,  0.00)
177: 13       (  9.671, -18.090,  -9.125)  (  9.679, -18.096,  -9.073)  ( 0.08,  0.03,  0.57)
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173:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
173:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
173:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
173:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
173:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
173:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
173:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
173:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
173:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
173:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
173:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
173:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
173: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
173:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
173:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
173:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
173:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
173:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
173:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
173: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
173:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
173:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
173:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
173:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
173:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
173: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
173:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
173:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
173:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
173:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
173:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
173:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
173:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
173:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
173:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
173:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
173:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
173:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
173:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
173:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
173:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 53       ( 15.230,  -4.611,   1.878)  ( 15.245,  -4.609,   1.844)  ( 0.09,  0.04,  1.78)
173:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
173:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
173:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
173:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
173:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
173: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
173:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
173:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
173:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
173:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
173:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
173:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
173:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
173:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
173:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
173:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
173:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
173:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
173:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
173:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
173:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
173:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
173:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
173:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
173:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
173:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
173:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
173:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
173:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
173:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
173:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
173:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
173:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
173:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
173:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
173:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 36 # gradients 
175:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
175:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
175:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
175:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
175:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
175:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
175:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
175:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
175:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
175:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
175:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
175:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
175:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
175:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
175:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
175:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
175:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
175:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
175:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
175:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
175:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
175:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
175:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
175:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
175:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
175:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
175:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
175:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
175:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
175:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
175:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
175: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
175:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
175:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
175:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
175:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
175: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
175:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
175:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
175:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
175:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
175: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
175:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
175:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
175:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
175:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
175:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
175:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
175:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
175:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
175:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
175:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
175:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
175:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
175:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
175:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       ( 15.405,  -4.653,   1.433)  ( 15.399,  -4.646,   1.450)  ( 0.04,  0.14,  1.21)
175:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
175:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
175:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.646,  -0.155,  -1.646)  (  0.647,  -0.155,  -1.645)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.061,  -0.014,  -0.154)  (  0.054,  -0.013,  -0.138)  ( 0.04,  0.00,  0.26)
175:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
175:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
175: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
175:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
175:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
175:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
175:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
175:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
175:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
175:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
175:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
175:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
175:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
175:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
175:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
175:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
175:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
175:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
175:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
175:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
175:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
175:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
175:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
175:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
175:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
175:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 36 # gradients 
177:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.048,   0.362,   0.971)  ( -0.048,   0.362,   0.971)  ( 0.00,  0.00,  0.00)
177: 18       (  4.901,  -9.780,  -7.635)  (  4.906,  -9.775,  -7.629)  ( 0.12,  0.05,  0.07)
177:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
177:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
177:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
177:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
177:     electro (  0.296,  -0.282,  -0.155)  (  0.296,  -0.282,  -0.155)  ( 0.00,  0.00,  0.00)
177: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
177:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
177:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
177:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
177:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       (-13.410,  36.890,  -6.616)  (-13.231,  36.875,  -7.066)  ( 1.34,  0.04,  6.81)
177:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
177:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
177:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
177:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
177:     electro (  2.129,  -0.052,   0.444)  (  2.129,  -0.052,   0.444)  ( 0.00,  0.00,  0.00)
177: 21       (-27.162,  29.352, -13.784)  (-27.190,  29.364, -13.696)  ( 0.10,  0.04,  0.64)
177:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
177:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
177:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
177:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
177:     electro (  1.398,  -1.371,   0.911)  (  1.398,  -1.371,   0.911)  ( 0.00,  0.00,  0.00)
177: 22       ( 25.373,  -3.530,  11.099)  ( 25.354,  -3.518,  11.172)  ( 0.08,  0.35,  0.65)
177:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
177:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
177:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
177:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
177:     electro (  0.200,  -0.470,   0.097)  (  0.200,  -0.470,   0.097)  ( 0.00,  0.00,  0.00)
177: 23       (-25.753, -35.180,  -7.611)  (-25.763, -35.169,  -7.561)  ( 0.04,  0.03,  0.66)
177:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
177:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
177:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
177:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.795,  -0.886,  -0.241)  ( -0.795,  -0.886,  -0.241)  ( 0.00,  0.00,  0.00)
177: 24       ( -0.951,  42.977,  -2.589)  ( -0.872,  42.973,  -2.760)  ( 7.57,  0.01,  6.61)
177:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
177:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
177:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
177:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
177:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.281,   1.124,  -1.446)  ( -3.281,   1.124,  -1.446)  ( 0.00,  0.00,  0.00)
177: 25       (  2.353, -57.543,   5.157)  (  2.241, -57.512,   5.467)  ( 4.76,  0.05,  5.99)
177:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
177:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
177:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
177:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
177:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
177:     electro (  0.340,   1.560,   0.515)  (  0.340,   1.560,   0.515)  ( 0.00,  0.00,  0.00)
177: 26       (-24.471, -19.645,  -3.911)  (-24.482, -19.634,  -3.861)  ( 0.04,  0.05,  1.28)
177:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
177:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
177:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
177:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.082,   0.233,  -0.042)  ( -0.082,   0.233,  -0.042)  ( 0.00,  0.00,  0.00)
177: 27       ( 41.711,  24.030,  14.411)  ( 41.729,  24.033,  14.383)  ( 0.04,  0.01,  0.19)
177:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
177:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
177:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
177:     electro (  0.440,   0.358,   0.107)  (  0.440,   0.358,   0.107)  ( 0.00,  0.00,  0.00)
177: 28       ( 11.710, -34.700,   6.799)  ( 11.713, -34.692,   6.813)  ( 0.02,  0.02,  0.21)
177:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
177:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
177:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
177:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
177:     electro (  0.061,  -1.307,   0.124)  (  0.061,  -1.307,   0.124)  ( 0.00,  0.00,  0.00)
177: 29       ( 15.903,   4.286,   5.958)  ( 15.892,   4.291,   6.006)  ( 0.07,  0.11,  0.81)
177:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
177:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
177:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
177:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.166,  -0.288,  -0.392)  ( -1.166,  -0.288,  -0.392)  ( 0.00,  0.00,  0.00)
177: 30       ( -2.074,  31.175,  -2.945)  ( -2.064,  31.180,  -2.953)  ( 0.46,  0.02,  0.26)
177:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
177:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
177:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
177:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
177:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
177:     electro (  0.391,  -0.425,   0.188)  (  0.391,  -0.425,   0.188)  ( 0.00,  0.00,  0.00)
177: 31       ( -1.650,  -0.829,   5.649)  ( -1.630,  -0.826,   5.618)  ( 1.18,  0.22,  0.55)
177:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
177:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
177:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
177:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
177:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.297,  -0.187,  -0.080)  ( -0.297,  -0.187,  -0.080)  ( 0.00,  0.00,  0.00)
177: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
177:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
177:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
177:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
177:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
177:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
177:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
177:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
177:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
177:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
177:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
177:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
177:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
177:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
177:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
177:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
177:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
177:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
177:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
177:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
177:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
177:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
177:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
177:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
177:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
177:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
177:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
177:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
177:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
177:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
177:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
177:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
177:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
177:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
177:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
177:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
177:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
177:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
177:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 45       (  7.917,   7.582,   1.982)  (  7.919,   7.587,   1.972)  ( 0.03,  0.06,  0.48)
177:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
177:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
177:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.634,   0.010,   0.105)  ( -0.634,   0.010,   0.105)  ( 0.00,  0.00,  0.00)
177: 46       ( -0.949,   8.842,   2.170)  ( -0.948,   8.848,   2.157)  ( 0.07,  0.07,  0.57)
177:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
177:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
177:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
177:     electro (  0.054,  -0.019,  -0.027)  (  0.054,  -0.019,  -0.027)  ( 0.00,  0.00,  0.00)
177: 47       (  3.127,  -7.668,  -2.910)  (  3.129,  -7.675,  -2.873)  ( 0.04,  0.09,  1.26)
177:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
177:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
177:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
177:     electro (  0.137,   0.646,  -0.030)  (  0.137,   0.646,  -0.030)  ( 0.00,  0.00,  0.00)
177: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
177:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
177:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
177:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
177:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
177:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
177:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
177:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
177:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
177:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
177:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
177:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
177:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
177:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
177:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       ( 13.213,  -8.643,   4.216)  ( 13.227,  -8.641,   4.183)  ( 0.11,  0.02,  0.79)
177:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
177:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
177:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
177:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
177:     electro (  0.672,   1.344,  -0.779)  (  0.672,   1.344,  -0.779)  ( 0.00,  0.00,  0.00)
177: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
177:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
177:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
177:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
177:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
177:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
177:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
177:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
177:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
177:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
177:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
177:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
177:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
177:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
177:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
177:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
177:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
177:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
177:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
177:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
177:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
177:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
177:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
177:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 36 # gradients 
213/219 Test #173: test_ffmmff94_1 ..................   Passed  168.09 sec
214/219 Test #175: test_ffmmff94_3 ..................   Passed  168.03 sec
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dy7_1cx.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5alk_wmr.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aln_5zm.sdf
207: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
207:   """Test OpenBabel executables from Python
207: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
207:   pat = "(-?\d.*) molecule(?:s?) converted"
207: ......./usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
207:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
207: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
207:   self.stdout = io.open(c2pread, 'rb', bufsize)
207: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
207:   self.stderr = io.open(errread, 'rb', bufsize)
207: ......
207: ----------------------------------------------------------------------
207: Ran 13 tests in 176.774s
207: 
207: OK
207: 
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216/219 Test #207: pytest_babel .....................   Passed  186.07 sec
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210: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testdistgeom.py:1: SyntaxWarning: invalid escape sequence '\P'
210:   """Test OpenBabel executables from Python
210: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
210:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
210: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
210:   self.stdout = io.open(c2pread, 'rb', bufsize)
210: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
210:   self.stderr = io.open(errread, 'rb', bufsize)
210: .
210: ----------------------------------------------------------------------
210: Ran 1 test in 3906.256s
210: 
210: OK
210: 
218/219 Test #210: pytest_distgeom ..................   Passed  3913.51 sec
219: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testroundtrip.py:1: SyntaxWarning: invalid escape sequence '\P'
219:   """Test the ability of openbabel to roundtrip various properties
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: ==============================
219: *** Open Babel Error  in TetStereoToWedgeHash
219:   Failed to set stereochemistry as unable to find an available bond
219: /usr/lib64/python3.13/multiprocessing/pool.py:268: ResourceWarning: unclosed running multiprocessing pool <multiprocessing.pool.Pool state=RUN pool_size=1>
219:   _warn(f"unclosed running multiprocessing pool {self!r}",
219: ResourceWarning: Enable tracemalloc to get the object allocation traceback
219: .
219: ----------------------------------------------------------------------
219: Ran 1 test in 4708.439s
219: 
219: OK
219: 
219/219 Test #219: pybindtest_roundtrip .............   Passed  4720.31 sec
The following tests passed:
	test_align_1
	test_align_2
	test_align_3
	test_alias_1
	test_automorphism_1
	test_automorphism_2
	test_automorphism_3
	test_automorphism_5
	test_automorphism_6
	test_automorphism_7
	test_automorphism_8
	test_automorphism_9
	test_automorphism_10
	test_cifspacegroup_3
	test_canonconsistent_2
	test_carspacegroup_1
	test_automorphism_4
	test_canonfragment_1
	test_cistrans_1
	test_cistrans_2
	test_canonconsistent_3
	test_builder_3
	test_cistrans_3
	test_cistrans_4
	test_cistrans_5
	test_cifspacegroup_13
	test_builder_4
	test_builder_6
	test_builder_5
	test_cistrans_6
	test_cistrans_9
	test_cistrans_7
	test_conversion_1
	test_cistrans_8
	test_graphsym_4
	test_canonconsistent_1
	test_graphsym_1
	test_graphsym_2
	test_graphsym_3
	test_carspacegroup_2
	test_implicitH_1
	test_graphsym_5
	test_carspacegroup_3
	test_cifspacegroup_4
	test_cifspacegroup_7
	test_isomorphism_5
	test_cifspacegroup_11
	test_periodic_1
	test_isomorphism_1
	test_periodic_2
	test_cifspacegroup_2
	test_carspacegroup_4
	test_lssr_5
	test_isomorphism_4
	test_cifspacegroup_8
	test_periodic_4
	test_isomorphism_2
	test_cifspacegroup_9
	test_cifspacegroup_1
	test_isomorphism_3
	test_isomorphism_6
	test_isomorphism_7
	test_cifspacegroup_5
	test_cifspacegroup_6
	test_cifspacegroup_10
	test_gzip_1
	test_isomorphism_8
	test_isomorphism_9
	test_periodic_3
	test_regressions_222
	test_regressions_223
	test_regressions_224
	test_regressions_225
	test_builder_2
	test_rotor_1
	test_lssr_1
	test_multicml_1
	test_regressions_240
	test_regressions_227
	test_regressions_242
	test_cifspacegroup_12
	test_regressions_228
	test_regressions_1794
	test_rotor_2
	test_regressions_2111
	test_smiles_1
	test_smiles_2
	test_smiles_3
	test_regressions_226
	test_regressions_241
	test_rotor_3
	test_rotor_4
	test_spectrophore_3
	test_spectrophore_5
	test_squareplanar_1
	test_squareplanar_2
	test_squareplanar_3
	test_squareplanar_5
	test_stereo_1
	test_shuffle_3
	test_shuffle_4
	test_spectrophore_2
	test_spectrophore_4
	test_squareplanar_4
	test_stereo_2
	test_stereo_3
	test_stereo_4
	test_stereo_5
	test_stereoperception_1
	test_stereoperception_4
	test_stereoperception_3
	test_shuffle_5
	test_stereoperception_2
	test_tautomer_4
	test_tautomer_1
	test_tautomer_2
	test_tautomer_10
	test_tautomer_8
	test_tautomer_9
	test_tautomer_13
	test_tautomer_12
	test_tautomer_11
	test_tautomer_7
	test_tautomer_19
	test_tautomer_5
	test_tautomer_14
	test_tautomer_6
	test_tautomer_17
	test_tautomer_15
	test_tautomer_20
	test_tetrahedral_1
	test_tetrahedral_2
	test_spectrophore_1
	test_stereo_6
	test_tautomer_3
	test_tautomer_16
	test_tautomer_18
	test_tautomer_21
	test_tautomer_22
	test_tautomer_24
	test_tautomer_25
	test_tetrahedral_3
	test_tetrahedral_4
	test_tetrahedral_5
	test_tetranonplanar_1
	test_tetraplanar_1
	test_uniqueid_1
	test_uniqueid_2
	test_atom_1
	test_shuffle_1
	test_shuffle_2
	test_atom_2
	test_atom_3
	test_tautomer_28
	test_tautomer_27
	test_tautomer_26
	test_tautomer_23
	test_atom_4
	test_bond_1
	test_datatest_1
	test_aromatest_1
	test_ffmmff94_6
	test_formalcharge_1
	test_format_1
	test_formula_1
	test_internalcoord_1
	test_invalidsmarts_1
	test_invalidsmiles_1
	test_iterators_1
	test_logp_psa_1
	test_math_3
	test_lssr_3
	test_lssr_4
	test_cansmi_1
	test_charge_mmff94_1
	test_charge_gasteiger_1
	test_ffmmff94_2
	test_ffmmff94_4
	test_mol_1
	test_pdbreadfile_1
	test_pdbreadfile_2
	test_pdbreadfile_3
	test_pdbreadfile_4
	test_phmodel_1
	test_residue_1
	test_smartstest_1
	test_smartsparse_1
	test_smilesmatch_1
	test_unitcell_1
	test_math_4
	test_lssr_2
	test_cmlreadfile_1
	test_math_1
	test_math_2
	test_ringtest_1
	test_builder_1
	pytest_fastsearch
	pytest_unique
	pytest_kekule
	pytest_pdbformat
	pybindtest_example
	pybindtest_cdjsonformat
	pybindtest_pcjsonformat
	pybindtest__pybel
	inchiSamples.sdf_Test
	inchiSamplesTechMan.sdf_Test
	test_ffgaff_1
	test_ffghemical_1
	test_ffuff_1
	pytest_smartssym
	test_canonstable_1
	pytest_RInChI
	test_ffmmff94_1
	test_ffmmff94_3
	test_ffmmff94_5
	pytest_babel
	test_addh_1
	pytest_distgeom
	pybindtest_roundtrip
100% tests passed, 0 tests failed out of 219
Total Test time (real) = 4818.49 sec
+ RPM_EC=0
++ jobs -p
+ exit 0
Processing files: openbabel-3.1.1-33.fc42.riscv64
warning: File listed twice: /usr/lib/.build-id/6e/ce63854ad27b4b8067fd7b3e1da26aab2cbea6
Provides: config(openbabel) = 3.1.1-33.fc42 openbabel = 3.1.1-33.fc42 openbabel(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-riscv64-lp64d.so.1()(64bit) ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.27)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) rtld(GNU_HASH)
Processing files: openbabel-devel-3.1.1-33.fc42.riscv64
Provides: cmake(OpenBabel3) = 3.1.1 cmake(openbabel3) = 3.1.1 openbabel-devel = 3.1.1-33.fc42 openbabel-devel(riscv-64) = 3.1.1-33.fc42 pkgconfig(openbabel-3) = 3.1.1
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: /usr/bin/pkg-config cmake-filesystem(riscv-64) libopenbabel.so.7()(64bit)
Processing files: openbabel-doc-3.1.1-33.fc42.noarch
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.guFufE
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ DOCDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/FAQ.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/OBTwoMigration.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/OpenBabelGUI.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/api-footer.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/api-header.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/README.dioxin.pov /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/README.povray /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.inc /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.mol2 /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.png /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.pov /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: openbabel-doc = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: openbabel-gui-3.1.1-33.fc42.riscv64
Provides: application() application(obgui.desktop) openbabel-gui = 3.1.1-33.fc42 openbabel-gui(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-riscv64-lp64d.so.1()(64bit) ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.27)(64bit) libc.so.6(GLIBC_2.34)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libwx_baseu-3.2.so.0()(64bit) libwx_baseu-3.2.so.0(WXU_3.2)(64bit) libwx_gtk3u_core-3.2.so.0()(64bit) libwx_gtk3u_core-3.2.so.0(WXU_3.2)(64bit) rtld(GNU_HASH)
Processing files: openbabel-libs-3.1.1-33.fc42.riscv64
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.whhAno
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ DOCDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/THANKS /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/AUTHORS /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/authors.txt /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/README.md /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.p0Tgtv
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ LICENSEDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export LICENSEDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/COPYING /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: libopenbabel.so.7()(64bit) openbabel-libs = 3.1.1-33.fc42 openbabel-libs(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-riscv64-lp64d.so.1()(64bit) ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.27)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libcairo.so.2()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libinchi.so.1()(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.27)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.7)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.26)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.5)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libxml2.so.2()(64bit) libxml2.so.2(LIBXML2_2.4.30)(64bit) libxml2.so.2(LIBXML2_2.5.0)(64bit) libxml2.so.2(LIBXML2_2.6.0)(64bit) libxml2.so.2(LIBXML2_2.6.5)(64bit) libz.so.1()(64bit) rtld(GNU_HASH)
Processing files: perl-openbabel-3.1.1-33.fc42.riscv64
Provides: perl(Chemistry::OpenBabel) perl(Chemistry::OpenBabel::AliasData) perl(Chemistry::OpenBabel::CharPtrLess) perl(Chemistry::OpenBabel::Dummy) perl(Chemistry::OpenBabel::LineSearchType) perl(Chemistry::OpenBabel::OBAngle) perl(Chemistry::OpenBabel::OBAngleData) perl(Chemistry::OpenBabel::OBAtom) perl(Chemistry::OpenBabel::OBAtomAtomIter) perl(Chemistry::OpenBabel::OBAtomBondIter) perl(Chemistry::OpenBabel::OBAtomHOF) perl(Chemistry::OpenBabel::OBAtomicHeatOfFormationTable) perl(Chemistry::OpenBabel::OBBase) perl(Chemistry::OpenBabel::OBBitVec) perl(Chemistry::OpenBabel::OBBond) perl(Chemistry::OpenBabel::OBBuilder) perl(Chemistry::OpenBabel::OBCommentData) perl(Chemistry::OpenBabel::OBConformerData) perl(Chemistry::OpenBabel::OBConversion) perl(Chemistry::OpenBabel::OBDOSData) perl(Chemistry::OpenBabel::OBDescriptor) perl(Chemistry::OpenBabel::OBElectronicTransitionData) perl(Chemistry::OpenBabel::OBError) perl(Chemistry::OpenBabel::OBExternalBond) perl(Chemistry::OpenBabel::OBExternalBondData) perl(Chemistry::OpenBabel::OBFFCalculation2) perl(Chemistry::OpenBabel::OBFFCalculation3) perl(Chemistry::OpenBabel::OBFFCalculation4) perl(Chemistry::OpenBabel::OBFFConstraint) perl(Chemistry::OpenBabel::OBFFConstraints) perl(Chemistry::OpenBabel::OBFFParameter) perl(Chemistry::OpenBabel::OBFingerprintIter) perl(Chemistry::OpenBabel::OBForceField) perl(Chemistry::OpenBabel::OBFormat) perl(Chemistry::OpenBabel::OBFreeGrid) perl(Chemistry::OpenBabel::OBFreeGridPoint) perl(Chemistry::OpenBabel::OBGenericData) perl(Chemistry::OpenBabel::OBGlobalDataBase) perl(Chemistry::OpenBabel::OBGridData) perl(Chemistry::OpenBabel::OBInternalCoord) perl(Chemistry::OpenBabel::OBMatrixData) perl(Chemistry::OpenBabel::OBMessageHandler) perl(Chemistry::OpenBabel::OBMol) perl(Chemistry::OpenBabel::OBMolAngleIter) perl(Chemistry::OpenBabel::OBMolAtomBFSIter) perl(Chemistry::OpenBabel::OBMolAtomDFSIter) perl(Chemistry::OpenBabel::OBMolAtomIter) perl(Chemistry::OpenBabel::OBMolBondBFSIter) perl(Chemistry::OpenBabel::OBMolBondIter) perl(Chemistry::OpenBabel::OBMolPairIter) perl(Chemistry::OpenBabel::OBMolRingIter) perl(Chemistry::OpenBabel::OBMolTorsionIter) perl(Chemistry::OpenBabel::OBOp) perl(Chemistry::OpenBabel::OBOrbital) perl(Chemistry::OpenBabel::OBOrbitalData) perl(Chemistry::OpenBabel::OBPairData) perl(Chemistry::OpenBabel::OBPcharge) perl(Chemistry::OpenBabel::OBPlugin) perl(Chemistry::OpenBabel::OBRTree) perl(Chemistry::OpenBabel::OBResidue) perl(Chemistry::OpenBabel::OBResidueAtomIter) perl(Chemistry::OpenBabel::OBResidueData) perl(Chemistry::OpenBabel::OBResidueIter) perl(Chemistry::OpenBabel::OBRing) perl(Chemistry::OpenBabel::OBRingData) perl(Chemistry::OpenBabel::OBRingSearch) perl(Chemistry::OpenBabel::OBRotamerList) perl(Chemistry::OpenBabel::OBRotationData) perl(Chemistry::OpenBabel::OBRotor) perl(Chemistry::OpenBabel::OBRotorKeys) perl(Chemistry::OpenBabel::OBRotorList) perl(Chemistry::OpenBabel::OBRotorRule) perl(Chemistry::OpenBabel::OBRotorRules) perl(Chemistry::OpenBabel::OBSSMatch) perl(Chemistry::OpenBabel::OBSerialNums) perl(Chemistry::OpenBabel::OBSetData) perl(Chemistry::OpenBabel::OBSmartsMatcher) perl(Chemistry::OpenBabel::OBSmartsPattern) perl(Chemistry::OpenBabel::OBSqrtTbl) perl(Chemistry::OpenBabel::OBStopwatch) perl(Chemistry::OpenBabel::OBSymmetryData) perl(Chemistry::OpenBabel::OBTorsion) perl(Chemistry::OpenBabel::OBTorsionData) perl(Chemistry::OpenBabel::OBTypeTable) perl(Chemistry::OpenBabel::OBUnitCell) perl(Chemistry::OpenBabel::OBVectorData) perl(Chemistry::OpenBabel::OBVibrationData) perl(Chemistry::OpenBabel::OBVirtualBond) perl(Chemistry::OpenBabel::VectorDouble) perl(Chemistry::OpenBabel::VectorInt) perl(Chemistry::OpenBabel::VectorOBBond) perl(Chemistry::OpenBabel::VectorOBMol) perl(Chemistry::OpenBabel::VectorOBResidue) perl(Chemistry::OpenBabel::VectorOBRing) perl(Chemistry::OpenBabel::VectorString) perl(Chemistry::OpenBabel::VectorUnsignedInt) perl(Chemistry::OpenBabel::VectorVInt) perl(Chemistry::OpenBabel::VectorVector3) perl(Chemistry::OpenBabel::VectorpOBGenericData) perl(Chemistry::OpenBabel::VectorpOBRing) perl(Chemistry::OpenBabel::_OBAtomAtomIter) perl(Chemistry::OpenBabel::_OBAtomBondIter) perl(Chemistry::OpenBabel::_OBMolAngleIter) perl(Chemistry::OpenBabel::_OBMolAtomBFSIter) perl(Chemistry::OpenBabel::_OBMolAtomDFSIter) perl(Chemistry::OpenBabel::_OBMolAtomIter) perl(Chemistry::OpenBabel::_OBMolBondIter) perl(Chemistry::OpenBabel::_OBMolPairIter) perl(Chemistry::OpenBabel::_OBMolRingIter) perl(Chemistry::OpenBabel::_OBMolTorsionIter) perl(Chemistry::OpenBabel::_OBResidueAtomIter) perl(Chemistry::OpenBabel::matrix3x3) perl(Chemistry::OpenBabel::obLogBuf) perl(Chemistry::OpenBabel::rotor_digit) perl(Chemistry::OpenBabel::stringbuf) perl(Chemistry::OpenBabel::vector3) perl(Chemistry::OpenBabelc) perl-openbabel = 3.1.1-33.fc42 perl-openbabel(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-riscv64-lp64d.so.1()(64bit) ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.27)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.27)(64bit) libopenbabel.so.7()(64bit) libperl.so.5.40()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) perl(:MODULE_COMPAT_5.40.1) perl(DynaLoader) perl(Exporter) perl(base) perl(overload) perl(vars) perl-libs rtld(GNU_HASH)
Processing files: python3-openbabel-3.1.1-33.fc42.riscv64
Provides: python-openbabel = 3.1.1-33.fc42 python3-openbabel = 3.1.1-33.fc42 python3-openbabel(riscv-64) = 3.1.1-33.fc42 python3.13-openbabel = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-riscv64-lp64d.so.1()(64bit) ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.27)(64bit) libc.so.6(GLIBC_2.32)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.27)(64bit) libopenbabel.so.7()(64bit) libpython3.13.so.1.0()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) python(abi) = 3.13 rtld(GNU_HASH)
Obsoletes: python-openbabel < 3.1.1-33.fc42 python2-openbabel < 0:3.1.1-33.fc42
Processing files: ruby-openbabel-3.1.1-33.fc42.riscv64
Provides: ruby-openbabel = 3.1.1-33.fc42 ruby-openbabel(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-riscv64-lp64d.so.1()(64bit) ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.27)(64bit) libc.so.6(GLIBC_2.32)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.27)(64bit) libopenbabel.so.7()(64bit) libruby.so.3.3()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) rtld(GNU_HASH)
Processing files: openbabel-debugsource-3.1.1-33.fc42.riscv64
Provides: openbabel-debugsource = 3.1.1-33.fc42 openbabel-debugsource(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: openbabel-debuginfo-3.1.1-33.fc42.riscv64
Provides: debuginfo(build-id) = 0ab8640a90e476600bbeca3ddec63b3b8396841f debuginfo(build-id) = 0ed762d52871439cec95345c1e518c9331882e8d debuginfo(build-id) = 1598329dfd22c4e458628739319b75134fc9bcec debuginfo(build-id) = 1e4dcb0f7d4f983443ae1ea8f97419ccc16da5cc debuginfo(build-id) = 2b45e14b350b7cfda27f050b5f5878ad3f262674 debuginfo(build-id) = 3cbe94448ef4e49a9f555b7b9af2ddce2ca0cc36 debuginfo(build-id) = 422e00fae978225a98dab2d3c367ac629c1e8c19 debuginfo(build-id) = 43ccbb3db34753b9df56a819f507c715e5d96e5c debuginfo(build-id) = 599396c8a8567f9f2631c66ba67d137218498c5c debuginfo(build-id) = 5fe7cf6b387347b1656ae84916cc9b9ddbdbc6e7 debuginfo(build-id) = 62c1ef570cd0aed2fbe2f4175dd5be4fbb9b9b38 debuginfo(build-id) = 63796d472720af883731b286b9ac019b007e694e debuginfo(build-id) = 6628bd8aaf6cdd5bb2ddd2f87add8e8d85e3daba debuginfo(build-id) = 6b7e72a119394a1bf8fecbdecaf537d795c600ff debuginfo(build-id) = 6c67e592c457b8931d8aa434938047ca385eecb5 debuginfo(build-id) = 6ece63854ad27b4b8067fd7b3e1da26aab2cbea6 debuginfo(build-id) = 8882cfb380c12244f9c4770097477fdf89734022 debuginfo(build-id) = 8d315735944052b1fa3985bb3a5986b94291809c debuginfo(build-id) = b14482773179db61c33b58c18a7f48f16730f45f debuginfo(build-id) = cfaa89edb0cafe1c31ee129d31134f8472d3f24c debuginfo(build-id) = de5caa97c3c0f85f60849b0b55b24e70a0312e8d openbabel-debuginfo = 3.1.1-33.fc42 openbabel-debuginfo(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(riscv-64) = 3.1.1-33.fc42
Processing files: openbabel-gui-debuginfo-3.1.1-33.fc42.riscv64
Provides: debuginfo(build-id) = 6ece63854ad27b4b8067fd7b3e1da26aab2cbea6 openbabel-gui-debuginfo = 3.1.1-33.fc42 openbabel-gui-debuginfo(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(riscv-64) = 3.1.1-33.fc42
Processing files: openbabel-libs-debuginfo-3.1.1-33.fc42.riscv64
Provides: debuginfo(build-id) = 01d32af85c084203acc02c22afa16e4b85ae4032 debuginfo(build-id) = 07c531a6ba849164fd89d20691dd3e2b01d20b95 debuginfo(build-id) = 0aff1ad41f722afc0ff3dbc59b859490ce07fb73 debuginfo(build-id) = 0d361109cb65fdf196ba872f84342a0387406692 debuginfo(build-id) = 0f774628e19bc3076fbe0a2546022b517927dcca debuginfo(build-id) = 13cd1a98668bae67ad115bcfb9f894d2d1b67ab2 debuginfo(build-id) = 168e6f464562db3eba3ec2eb417e98187337a812 debuginfo(build-id) = 16d41ab329c4f190b2f20f99b26b6b17d64b6393 debuginfo(build-id) = 19d9677207015a10b1a37bd224c977d0b09b7719 debuginfo(build-id) = 1a51d64159995f0acbed8b784b42d420216d0445 debuginfo(build-id) = 1becf9ea123bc3334f2aac4da3989d2034924061 debuginfo(build-id) = 1cc71fdb1cafd5385df893b197b61dbee99ed4f5 debuginfo(build-id) = 1ed4272e06af05a11ab684984c992724bd07593d debuginfo(build-id) = 1f9e3e3f1a743dab2b10da28260f3e6f1cf34569 debuginfo(build-id) = 2604fbd4f57aa0f428831f83fee9039ceeb5f7fe debuginfo(build-id) = 26ed856c37c2c2a8bb235a11a6e20b9a7fe28113 debuginfo(build-id) = 270275ab25d5a596970b9297812fbb5109ede71f debuginfo(build-id) = 292a245ca23b62b4418f3fa0b3e204b3f5cb20d0 debuginfo(build-id) = 2c1b274f45a6ca2bf64c6b13d7bd979ef5aa59e5 debuginfo(build-id) = 2d278050f849757d751e5cfe2931f847428b4faf debuginfo(build-id) = 2da4a4565de885aae8e7f3097c969b7b338e28f9 debuginfo(build-id) = 2feb8344b0a650022ce202028d4f47320549c673 debuginfo(build-id) = 309b3f5ffeb16a678641d32fa0f9ab2709709d9f debuginfo(build-id) = 32b1096ac7ca232f0adbb159430c9f0b1890a5b3 debuginfo(build-id) = 32be2f54d80d041b40dc0b7c30e16e031173f77e debuginfo(build-id) = 3503c515bdd7de8edf8c9f8cf203efdd62e045ef debuginfo(build-id) = 35d63db26b53601aaf58f5a6dfab63430f63cea7 debuginfo(build-id) = 3607f43b5fc3293fb3a96dfd055c84af7b033971 debuginfo(build-id) = 366424e47850b7697ea6780c5b7a2ec09b5d85e3 debuginfo(build-id) = 36f20756c9b6cbb3d989e6061cd072af0e106330 debuginfo(build-id) = 37e2821d78e82bfb74df1dce60d786c7f852bd9c debuginfo(build-id) = 386c6bdccf9fbd7c5221b3a476488e4acc81b173 debuginfo(build-id) = 393e129aa94b9e63cc7c494ce01eaf2dad36d35b debuginfo(build-id) = 39c705a7c4547dad397f2d8a2e45b2c5224efcaf debuginfo(build-id) = 3a677f2353af718caa8777e2b6df60975a6b8dbc debuginfo(build-id) = 3c221ab2e29e596dfedc913c9749e8f069775a75 debuginfo(build-id) = 3c26913e86b783da2a021a6a45175fe955d301e6 debuginfo(build-id) = 3ef0c1a93d0e061f2880bf578f2ac1ef917bdbaf debuginfo(build-id) = 3f2dca0be32b804c604786af28a69307b5432169 debuginfo(build-id) = 4413b9a4cb7b867248764e82bb05acf8d78beb1d debuginfo(build-id) = 45b95a404ee10b4bfa7451ae1b1eac8ec3a08804 debuginfo(build-id) = 45f5525da43a331201efe838fded3d0d91bb414c debuginfo(build-id) = 48acb9b0e564ba1905b8bfdac0b2e419ba28ba9f debuginfo(build-id) = 4926984c8a7dd72439800210b3bd94ffb5fc2214 debuginfo(build-id) = 4bf025592fcb4824343e886f259042395d29498a debuginfo(build-id) = 4ee702815394e6b4839538495ddfd80c5251d696 debuginfo(build-id) = 4f250c42360f98cbcbf7d6fd8c32ccebb222732f debuginfo(build-id) = 50bcd3e7fe36a34a7608fd6fdea3acf4219feee5 debuginfo(build-id) = 51e96dbc8ff2b091722f4cb490069aeed5fd38b9 debuginfo(build-id) = 532cf440020e1d41898f0bf708dbd79668744776 debuginfo(build-id) = 5400b3d9c22cb2bf3ccaf9143c0c114495c07dd3 debuginfo(build-id) = 593191daa4258ef6a7a5662a0977696e1ca0f14f debuginfo(build-id) = 5a6a0ade1101b6a4c6d2ea247b304699481e0a7d debuginfo(build-id) = 63efbae20d986059db4391770c606ba12a42ac08 debuginfo(build-id) = 64ba3b791612e54753c3962bc33f27930d09c6c7 debuginfo(build-id) = 674dd104d3e00f93004bcb1760a248f1f297e023 debuginfo(build-id) = 6f21b54cb490333b2ec48afd81e96b62a6217d49 debuginfo(build-id) = 6f430edbf8d5dfebc548bd4e7cb393008de6f7bb debuginfo(build-id) = 74802b34b6b960ee6a37005a3f2c1600765c685b debuginfo(build-id) = 76b70e263249b18bf0b836d13d40fe874cfb7a38 debuginfo(build-id) = 7bfb9136c0542be8cc5b41313f8e419fa65f4af3 debuginfo(build-id) = 7c5336362d93538580bbffff1dee7ef85f20f37d debuginfo(build-id) = 7cc473103e3b0241c9b8f5748240e609b357187b debuginfo(build-id) = 800341375c2c68266011c40db019a72bf6ea5ed4 debuginfo(build-id) = 81a0609b599f305fa7d0e526c38b139b17806a63 debuginfo(build-id) = 835967cd0b5750439c03c161b9024c2d0a44b154 debuginfo(build-id) = 88329e735915b671ff6c98286989b5f23c4c7d76 debuginfo(build-id) = 894b1f700d15ea94d4195547473b5eb22f8b4d87 debuginfo(build-id) = 8b2ddc12e2c6ce81c0f7e293850e5ba086ff4ea1 debuginfo(build-id) = 901a7c447b2f9eaa0a8933b95ac6448a90fcaebe debuginfo(build-id) = 9368ace396db2a31379a4e548f28c436e2256a93 debuginfo(build-id) = 9784cf16294ddcda2ae9cde561882614513fadbc debuginfo(build-id) = 97bcf529e52364f148134da1687dd8585cbfb7f2 debuginfo(build-id) = 988f6afe96c3e1684194b74b428289715055071b debuginfo(build-id) = 997ebb67330e3f977a2a8c8d7d07a7e80f842063 debuginfo(build-id) = 9a33920f03d5c7d3fa77238d0cfcf1586f07982e debuginfo(build-id) = 9c8d1908bb3d6de6d9149b5777063cf18f5652c3 debuginfo(build-id) = a2f23beca3392ad611d6e12d070ee7101f1dc9f3 debuginfo(build-id) = a30cbac77b71c9a7621ce0c5c92cb84a7c013e07 debuginfo(build-id) = a3af3503579729592f2fdc04f8466dff88a1bbd2 debuginfo(build-id) = a3f2a045ef5531a6e311d9e0c053efec4561c12f debuginfo(build-id) = a9a63909907655e95e17a1532f8a69691c5dd827 debuginfo(build-id) = ae06a3fe3f4f0205af4983dd624f13ef945a21d1 debuginfo(build-id) = ae8226cc096b80d3918b1c9997f006e3704e41dc debuginfo(build-id) = af5ba8b6346cc511ae5c58b219f264b5badc1250 debuginfo(build-id) = b06966ea46e78837fcbc24bb096b9bca4050427f debuginfo(build-id) = b1b5b8fa790b5e51785ae3875c6228652931314f debuginfo(build-id) = b20b8f57527d07112f28e28ac3be942dc5a3e2ea debuginfo(build-id) = b607c8aff4a54f7507a38e485961531b4d52d2bc debuginfo(build-id) = b8e26051e01b27ef0510f87b3615fe7c7ce2dbcd debuginfo(build-id) = b94937a29025b47b703426d91561e483a9a10a22 debuginfo(build-id) = bb134ea03045cb0d33216b55f91e734242c73877 debuginfo(build-id) = bdbb0852e109f6a6d9242b34d93e233f6a5f37a8 debuginfo(build-id) = be7d35d3854b49074594614d1b7e9a5ac75af716 debuginfo(build-id) = bfffdf23b14545d2591720a7562d5546d63c1f23 debuginfo(build-id) = c041b3ee379d8600e7801af90aee03225eb5ef75 debuginfo(build-id) = c22da01a91bef1e102d20f79c5a1336f157e2eff debuginfo(build-id) = c3430e977510d91c2a0eabc0af455b59b0d4eae6 debuginfo(build-id) = c536e7940c1eb0ef86425caf6d8ab5ad4bc8ca3b debuginfo(build-id) = cb7a4e5747bd9af7106b7d7e10340943ee142851 debuginfo(build-id) = cebe7e59920f6af05503437cbcd5fe385663039e debuginfo(build-id) = d012ac0d2d1a5fff118e5794023852c02ef50c50 debuginfo(build-id) = dbd4416651eedbcd32fa43bb6ea3283ca8abd2d7 debuginfo(build-id) = dbe6e24dba4906f4bbdab795e5cc241ce14b1497 debuginfo(build-id) = dca9f9c50d9626c9b8ee54916549caccb6b22f1f debuginfo(build-id) = dcba9e24a187ab3d5159db1b70f585b05c0b77bb debuginfo(build-id) = ddec6ac33d372a3c29707068326968afe799cde0 debuginfo(build-id) = df0549e8748e033a92304949675eb8c632ab7a52 debuginfo(build-id) = dfa16a66c5947b9b363b86c5fa849536dc8486fb debuginfo(build-id) = e1465fbb2b9abf69bcd057adad66d1c1d229cde1 debuginfo(build-id) = e1731e4979cdb0860a7e2d6bb03e951b6fccde24 debuginfo(build-id) = e207a676250a72d85fa3fd0d0dea1e44cb7cf393 debuginfo(build-id) = e48e6605c1310d0d5fca52b7fab990da2dc44b95 debuginfo(build-id) = e4c1da6a4c6b1c10cc361223ebc0b1372578784a debuginfo(build-id) = e9cc68af4abfca03be78356ba11e502a1715c179 debuginfo(build-id) = ed531ffc8b127538eb1694eec34c91fe1521a2db debuginfo(build-id) = edb32fd15c455b9b7b19417c4eb84287975cbc87 debuginfo(build-id) = eed79e144f5bd91b5ac946ff86e2d37353c6eb37 debuginfo(build-id) = f13ca2ec027fe15a2869424553c10d8cd903e5fd debuginfo(build-id) = f20ca09d2df8a01f8041fa5414b4bde5873d0678 debuginfo(build-id) = f561ca0a17252197284154d7545e7f860ae98fde debuginfo(build-id) = f5c8e672f6581d6810896020aa43804c711ab6df debuginfo(build-id) = f9cfad4e6854a4362e5156e3e84f074ae7fd15f6 debuginfo(build-id) = fb1d73154bef941b5953162aabdd0fef833d2419 debuginfo(build-id) = fca2dee5f4e28ffab3294e85aacd7081d45ad400 debuginfo(build-id) = fd1dd51de9e711ef6fcea7ce4c7f73aa9fc6d291 debuginfo(build-id) = fd876def57d6363068fe67e382450755d6e3b7c1 libopenbabel.so.7.0.0-3.1.1-33.fc42.riscv64.debug()(64bit) openbabel-libs-debuginfo = 3.1.1-33.fc42 openbabel-libs-debuginfo(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(riscv-64) = 3.1.1-33.fc42
Processing files: perl-openbabel-debuginfo-3.1.1-33.fc42.riscv64
Provides: debuginfo(build-id) = 27ab9afb0fc8dcbb8bc20a1ea33cf13bfd7546ad perl-openbabel-debuginfo = 3.1.1-33.fc42 perl-openbabel-debuginfo(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(riscv-64) = 3.1.1-33.fc42
Processing files: python3-openbabel-debuginfo-3.1.1-33.fc42.riscv64
Provides: debuginfo(build-id) = 3adc80caf4cff7af597865f55d43d01982a9abb7 python-openbabel-debuginfo = 3.1.1-33.fc42 python3-openbabel-debuginfo = 3.1.1-33.fc42 python3-openbabel-debuginfo(riscv-64) = 3.1.1-33.fc42 python3.13-openbabel-debuginfo = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(riscv-64) = 3.1.1-33.fc42
Processing files: ruby-openbabel-debuginfo-3.1.1-33.fc42.riscv64
Provides: debuginfo(build-id) = b3da1efa24a033d6a3b85bfec570125436cd67f2 ruby-openbabel-debuginfo = 3.1.1-33.fc42 ruby-openbabel-debuginfo(riscv-64) = 3.1.1-33.fc42
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(riscv-64) = 3.1.1-33.fc42
Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
Wrote: /builddir/build/RPMS/openbabel-doc-3.1.1-33.fc42.noarch.rpm
Wrote: /builddir/build/RPMS/openbabel-gui-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/openbabel-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/openbabel-devel-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/openbabel-gui-debuginfo-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/ruby-openbabel-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/python3-openbabel-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/perl-openbabel-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/openbabel-libs-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/python3-openbabel-debuginfo-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/ruby-openbabel-debuginfo-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/perl-openbabel-debuginfo-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/openbabel-debuginfo-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/openbabel-debugsource-3.1.1-33.fc42.riscv64.rpm
Wrote: /builddir/build/RPMS/openbabel-libs-debuginfo-3.1.1-33.fc42.riscv64.rpm
RPM build warnings:
    File listed twice: /usr/lib/.build-id/6e/ce63854ad27b4b8067fd7b3e1da26aab2cbea6
Child return code was: 0